smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000410402392 1069030930 /nfs/dbraw/zinc/03/09/30/1069030930.db2.gz RZWLOJPUJZXABL-UHFFFAOYSA-N 2 2 468.624 -0.054 20 0 JBADLP C[NH+](C)CCOc1cccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000410411804 1069031820 /nfs/dbraw/zinc/03/18/20/1069031820.db2.gz UROQZAOIHVPCLC-UHFFFAOYSA-N 2 2 468.624 -0.054 20 0 JBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000481136871 1067976699 /nfs/dbraw/zinc/97/66/99/1067976699.db2.gz NFLSTUNOJDWBRO-UHFFFAOYSA-N 2 2 494.618 -0.768 20 0 JBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC000481136871 1067976694 /nfs/dbraw/zinc/97/66/94/1067976694.db2.gz NFLSTUNOJDWBRO-UHFFFAOYSA-N 2 2 494.618 -0.768 20 0 JBADLP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)c2)CC1 ZINC000481526525 1067977941 /nfs/dbraw/zinc/97/79/41/1067977941.db2.gz KFIFYZIIQABTQW-UHFFFAOYSA-N 2 2 467.592 -0.210 20 0 JBADLP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCC[NH+]3CCOCC3)c2)CC1 ZINC000481526525 1067977940 /nfs/dbraw/zinc/97/79/40/1067977940.db2.gz KFIFYZIIQABTQW-UHFFFAOYSA-N 2 2 467.592 -0.210 20 0 JBADLP NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000489133740 1067995733 /nfs/dbraw/zinc/99/57/33/1067995733.db2.gz WKPKKHMTSCODSL-UHFFFAOYSA-N 2 2 451.593 -0.377 20 0 JBADLP C[NH+]1CCN(c2cc(CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccn2)CC1 ZINC000499600457 1068408660 /nfs/dbraw/zinc/40/86/60/1068408660.db2.gz PCDMFRLSKAWEBQ-UHFFFAOYSA-N 2 2 480.639 -0.847 20 0 JBADLP CC[NH+]1CCN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cn2)CC1 ZINC000500631975 1067733589 /nfs/dbraw/zinc/73/35/89/1067733589.db2.gz VHHNJLWBOPGDBJ-UHFFFAOYSA-N 2 2 494.666 -0.457 20 0 JBADLP CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500779640 1067735782 /nfs/dbraw/zinc/73/57/82/1067735782.db2.gz MKYPGRCCWNRFMM-GOSISDBHSA-N 2 2 477.697 -0.256 20 0 JBADLP CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500779641 1067735858 /nfs/dbraw/zinc/73/58/58/1067735858.db2.gz MKYPGRCCWNRFMM-SFHVURJKSA-N 2 2 477.697 -0.256 20 0 JBADLP CN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000500788538 1067735937 /nfs/dbraw/zinc/73/59/37/1067735937.db2.gz SGGMKBPLQPCKBC-UHFFFAOYSA-N 2 2 462.595 -0.062 20 0 JBADLP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000503186517 1067769067 /nfs/dbraw/zinc/76/90/67/1067769067.db2.gz KDQOHJLYFJPETM-UHFFFAOYSA-N 2 2 493.634 -0.517 20 0 JBADLP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)cc2)CC1 ZINC000503627899 1067773135 /nfs/dbraw/zinc/77/31/35/1067773135.db2.gz LBEZNCLSOQCFOB-UHFFFAOYSA-N 2 2 470.574 -0.221 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000509813113 1067741402 /nfs/dbraw/zinc/74/14/02/1067741402.db2.gz FQQHXTSLNLKOAB-UHFFFAOYSA-N 2 2 495.650 -0.271 20 0 JBADLP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000512506309 1067735833 /nfs/dbraw/zinc/73/58/33/1067735833.db2.gz JSIKQSCLAXNSHB-UHFFFAOYSA-N 2 2 482.651 -0.011 20 0 JBADLP COCC[NH+]1CCC(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000514139148 1067779333 /nfs/dbraw/zinc/77/93/33/1067779333.db2.gz XCVOLYUMLVPMKJ-UHFFFAOYSA-N 2 2 454.597 -0.057 20 0 JBADLP CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(C(=O)NCC(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC000514315811 1067779615 /nfs/dbraw/zinc/77/96/15/1067779615.db2.gz HGBHLJDKOICIPY-UHFFFAOYSA-N 2 2 472.590 -0.526 20 0 JBADLP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000514331461 1067781171 /nfs/dbraw/zinc/78/11/71/1067781171.db2.gz VZXRYTSEJGUDBM-UHFFFAOYSA-N 2 2 495.650 -0.703 20 0 JBADLP COC1CC[NH+](C(C)(C)CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000514352818 1067787540 /nfs/dbraw/zinc/78/75/40/1067787540.db2.gz DKTFODPUSHURRS-UHFFFAOYSA-N 2 2 460.645 -0.305 20 0 JBADLP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000514372443 1067794654 /nfs/dbraw/zinc/79/46/54/1067794654.db2.gz AYJGFCUUPPCFQT-UHFFFAOYSA-N 2 2 482.607 -0.798 20 0 JBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000514455626 1067797791 /nfs/dbraw/zinc/79/77/91/1067797791.db2.gz JMTVYNPOUTXPRD-IBGZPJMESA-N 2 2 495.650 -0.225 20 0 JBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000514455626 1067797784 /nfs/dbraw/zinc/79/77/84/1067797784.db2.gz JMTVYNPOUTXPRD-IBGZPJMESA-N 2 2 495.650 -0.225 20 0 JBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000514455632 1067797680 /nfs/dbraw/zinc/79/76/80/1067797680.db2.gz JMTVYNPOUTXPRD-LJQANCHMSA-N 2 2 495.650 -0.225 20 0 JBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000514455632 1067797673 /nfs/dbraw/zinc/79/76/73/1067797673.db2.gz JMTVYNPOUTXPRD-LJQANCHMSA-N 2 2 495.650 -0.225 20 0 JBADLP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000514464325 1067798513 /nfs/dbraw/zinc/79/85/13/1067798513.db2.gz KWPOPOJINALYSO-UHFFFAOYSA-N 2 2 468.624 -0.054 20 0 JBADLP C[NH+]1CCN(c2ncccc2CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000514464607 1067799424 /nfs/dbraw/zinc/79/94/24/1067799424.db2.gz XDRYBOKNKJAAEN-UHFFFAOYSA-N 2 2 480.639 -0.847 20 0 JBADLP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000514466636 1067800413 /nfs/dbraw/zinc/80/04/13/1067800413.db2.gz IFBJCBVNXUIITR-UHFFFAOYSA-N 2 2 452.581 -0.677 20 0 JBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)CC2)CC1 ZINC000514467115 1067800278 /nfs/dbraw/zinc/80/02/78/1067800278.db2.gz NWGFKNRJKTYORC-UHFFFAOYSA-N 2 2 450.584 -0.742 20 0 JBADLP CCC(CC)[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCOCC1 ZINC000514477809 1067806088 /nfs/dbraw/zinc/80/60/88/1067806088.db2.gz OREAHAWFEBQPPK-FQEVSTJZSA-N 2 2 474.672 -0.057 20 0 JBADLP CCC(CC)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+]1CCOCC1 ZINC000514477810 1067806137 /nfs/dbraw/zinc/80/61/37/1067806137.db2.gz OREAHAWFEBQPPK-HXUWFJFHSA-N 2 2 474.672 -0.057 20 0 JBADLP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515829758 1067824282 /nfs/dbraw/zinc/82/42/82/1067824282.db2.gz PUMKOJAWRBZJGQ-FQEVSTJZSA-N 2 2 452.625 -0.021 20 0 JBADLP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000515829759 1067825217 /nfs/dbraw/zinc/82/52/17/1067825217.db2.gz PUMKOJAWRBZJGQ-HXUWFJFHSA-N 2 2 452.625 -0.021 20 0 JBADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000516050453 1067832759 /nfs/dbraw/zinc/83/27/59/1067832759.db2.gz FHFZITOKDMWAPU-UHFFFAOYSA-N 2 2 482.607 -0.668 20 0 JBADLP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000516055139 1067834728 /nfs/dbraw/zinc/83/47/28/1067834728.db2.gz JNOAIDOXIHNEHO-UHFFFAOYSA-N 2 2 482.607 -0.798 20 0 JBADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000517127757 1067854281 /nfs/dbraw/zinc/85/42/81/1067854281.db2.gz ZUCZDIKWECMKQG-UHFFFAOYSA-N 2 2 458.563 -0.778 20 0 JBADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000517393082 1067860044 /nfs/dbraw/zinc/86/00/44/1067860044.db2.gz HROXUHWATZHJIC-KRWDZBQOSA-N 2 2 467.596 -0.828 20 0 JBADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000517393082 1067860036 /nfs/dbraw/zinc/86/00/36/1067860036.db2.gz HROXUHWATZHJIC-KRWDZBQOSA-N 2 2 467.596 -0.828 20 0 JBADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000517393083 1067859761 /nfs/dbraw/zinc/85/97/61/1067859761.db2.gz HROXUHWATZHJIC-QGZVFWFLSA-N 2 2 467.596 -0.828 20 0 JBADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000517393083 1067859742 /nfs/dbraw/zinc/85/97/42/1067859742.db2.gz HROXUHWATZHJIC-QGZVFWFLSA-N 2 2 467.596 -0.828 20 0 JBADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000519144540 1067885396 /nfs/dbraw/zinc/88/53/96/1067885396.db2.gz MPALFYXWOBIXDN-GOSISDBHSA-N 2 2 481.623 -0.580 20 0 JBADLP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000519144540 1067885379 /nfs/dbraw/zinc/88/53/79/1067885379.db2.gz MPALFYXWOBIXDN-GOSISDBHSA-N 2 2 481.623 -0.580 20 0 JBADLP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000519144541 1067885671 /nfs/dbraw/zinc/88/56/71/1067885671.db2.gz MPALFYXWOBIXDN-SFHVURJKSA-N 2 2 481.623 -0.580 20 0 JBADLP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000519144541 1067885652 /nfs/dbraw/zinc/88/56/52/1067885652.db2.gz MPALFYXWOBIXDN-SFHVURJKSA-N 2 2 481.623 -0.580 20 0 JBADLP CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2OC)CC1 ZINC000519333157 1067887986 /nfs/dbraw/zinc/88/79/86/1067887986.db2.gz DHOLGJMNFMEVJB-UHFFFAOYSA-N 2 2 460.579 -0.225 20 0 JBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)CC1 ZINC000521331263 1067919521 /nfs/dbraw/zinc/91/95/21/1067919521.db2.gz YKQBTDUQUVNJDV-UHFFFAOYSA-N 2 2 492.665 -0.744 20 0 JBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2)CC1 ZINC000522114621 1067924936 /nfs/dbraw/zinc/92/49/36/1067924936.db2.gz WEOVOTWWTRMILM-UHFFFAOYSA-N 2 2 458.629 -0.551 20 0 JBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)CC2)CC1 ZINC000522692207 1067929999 /nfs/dbraw/zinc/92/99/99/1067929999.db2.gz LEGYKVXGTOQMLL-UHFFFAOYSA-N 2 2 482.607 -0.047 20 0 JBADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2C1 ZINC000589802231 1068019174 /nfs/dbraw/zinc/01/91/74/1068019174.db2.gz SOJGXQIISALEBM-UHFFFAOYSA-N 2 2 478.619 -0.013 20 0 JBADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2C1 ZINC000589802231 1068019156 /nfs/dbraw/zinc/01/91/56/1068019156.db2.gz SOJGXQIISALEBM-UHFFFAOYSA-N 2 2 478.619 -0.013 20 0 JBADLP C[NH+]1CCN(C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c2ccccc2)CC1 ZINC000590171791 1068021404 /nfs/dbraw/zinc/02/14/04/1068021404.db2.gz VUMFAOJJXVGRPP-JOCHJYFZSA-N 2 2 493.678 -0.206 20 0 JBADLP C[NH+]1CCN(C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c2ccccc2)CC1 ZINC000590171797 1068021568 /nfs/dbraw/zinc/02/15/68/1068021568.db2.gz VUMFAOJJXVGRPP-QFIPXVFZSA-N 2 2 493.678 -0.206 20 0 JBADLP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000590370841 1068022030 /nfs/dbraw/zinc/02/20/30/1068022030.db2.gz VKZUUKXPVBBVFI-UHFFFAOYSA-N 2 2 466.608 -0.634 20 0 JBADLP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000590640350 1068024581 /nfs/dbraw/zinc/02/45/81/1068024581.db2.gz KDJSFQSSNCDXPY-UHFFFAOYSA-N 2 2 460.579 -0.326 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000590854643 1068026899 /nfs/dbraw/zinc/02/68/99/1068026899.db2.gz CVERJLNTRMOFCX-MOPGFXCFSA-N 2 2 466.608 -0.226 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000590854644 1068026778 /nfs/dbraw/zinc/02/67/78/1068026778.db2.gz CVERJLNTRMOFCX-OALUTQOASA-N 2 2 466.608 -0.226 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000590854645 1068027171 /nfs/dbraw/zinc/02/71/71/1068027171.db2.gz CVERJLNTRMOFCX-RBUKOAKNSA-N 2 2 466.608 -0.226 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000590854646 1068027272 /nfs/dbraw/zinc/02/72/72/1068027272.db2.gz CVERJLNTRMOFCX-RTBURBONSA-N 2 2 466.608 -0.226 20 0 JBADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000590879167 1068026941 /nfs/dbraw/zinc/02/69/41/1068026941.db2.gz CHLOHALLKSKWNZ-UHFFFAOYSA-N 2 2 470.574 -0.221 20 0 JBADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000591216744 1068029967 /nfs/dbraw/zinc/02/99/67/1068029967.db2.gz KTZHRQMZMYQEDN-FQEVSTJZSA-N 2 2 459.595 -0.324 20 0 JBADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000591216748 1068030336 /nfs/dbraw/zinc/03/03/36/1068030336.db2.gz KTZHRQMZMYQEDN-HXUWFJFHSA-N 2 2 459.595 -0.324 20 0 JBADLP C[C@@H](CCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000591799667 1068035407 /nfs/dbraw/zinc/03/54/07/1068035407.db2.gz YMUQBLBUCZJXGN-IBGZPJMESA-N 2 2 466.627 -0.742 20 0 JBADLP C[C@H](CCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1)CC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000591799668 1068035093 /nfs/dbraw/zinc/03/50/93/1068035093.db2.gz YMUQBLBUCZJXGN-LJQANCHMSA-N 2 2 466.627 -0.742 20 0 JBADLP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000593548794 1068037226 /nfs/dbraw/zinc/03/72/26/1068037226.db2.gz RFPQUIJEIFDTSH-UHFFFAOYSA-N 2 2 496.634 -0.408 20 0 JBADLP CN(C(=O)COCC(=O)NCc1cccnc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000595470318 1068041731 /nfs/dbraw/zinc/04/17/31/1068041731.db2.gz SIJNBRVORABJNS-UHFFFAOYSA-N 2 2 460.579 -0.589 20 0 JBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)CC1 ZINC000595593007 1067724221 /nfs/dbraw/zinc/72/42/21/1067724221.db2.gz NKQMOKPVAFSLCJ-UHFFFAOYSA-N 2 2 450.628 -0.515 20 0 JBADLP C[N@@H+](CCN1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1)Cc1ccccc1 ZINC000595722251 1068042117 /nfs/dbraw/zinc/04/21/17/1068042117.db2.gz KCJWCECZDICSDJ-UHFFFAOYSA-N 2 2 486.661 -0.261 20 0 JBADLP C[N@H+](CCN1CC[NH+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1)Cc1ccccc1 ZINC000595722251 1068042102 /nfs/dbraw/zinc/04/21/02/1068042102.db2.gz KCJWCECZDICSDJ-UHFFFAOYSA-N 2 2 486.661 -0.261 20 0 JBADLP COC(=O)C1CC[NH+](CC(=O)N2CCN(C(=O)C[NH+]3CCC(C(=O)OC)CC3)CC2)CC1 ZINC000603781943 1068052075 /nfs/dbraw/zinc/05/20/75/1068052075.db2.gz CQSQSEFUMGMDPY-UHFFFAOYSA-N 2 2 452.552 -0.573 20 0 JBADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000612293471 1067691395 /nfs/dbraw/zinc/69/13/95/1067691395.db2.gz VUQNSTGFFPWEEX-HDICACEKSA-N 2 2 460.645 -0.306 20 0 JBADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000612293471 1067691385 /nfs/dbraw/zinc/69/13/85/1067691385.db2.gz VUQNSTGFFPWEEX-HDICACEKSA-N 2 2 460.645 -0.306 20 0 JBADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000612293472 1067691268 /nfs/dbraw/zinc/69/12/68/1067691268.db2.gz VUQNSTGFFPWEEX-QZTJIDSGSA-N 2 2 460.645 -0.306 20 0 JBADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000612293473 1067691557 /nfs/dbraw/zinc/69/15/57/1067691557.db2.gz VUQNSTGFFPWEEX-ROUUACIJSA-N 2 2 460.645 -0.306 20 0 JBADLP C[NH+]1CCN(c2ccc(CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cn2)CC1 ZINC000612306345 1067691460 /nfs/dbraw/zinc/69/14/60/1067691460.db2.gz JJKFZEBNZAMZHJ-UHFFFAOYSA-N 2 2 480.639 -0.847 20 0 JBADLP Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000613417066 1067699389 /nfs/dbraw/zinc/69/93/89/1067699389.db2.gz DJQFSEJYFBIMIT-UHFFFAOYSA-N 2 2 478.663 -0.251 20 0 JBADLP C[NH+](C)CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)N3CCN(C(=O)C[NH+](C)C)CC3)C2)CC1 ZINC000620774141 1068342877 /nfs/dbraw/zinc/34/28/77/1068342877.db2.gz GWSBVPFGHJDUNV-BGYRXZFFSA-N 2 2 478.638 -0.742 20 0 JBADLP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000621019971 1068344782 /nfs/dbraw/zinc/34/47/82/1068344782.db2.gz YKZTZRZOORTKGW-UHFFFAOYSA-N 2 2 458.563 -0.317 20 0 JBADLP Cn1c(C[NH+](Cc2cc(=O)n(C)c(=O)n2C)C2CCN(c3cccc[nH+]3)CC2)cc(=O)n(C)c1=O ZINC000642578717 1069074026 /nfs/dbraw/zinc/07/40/26/1069074026.db2.gz JGZVUKVXIYTNBR-UHFFFAOYSA-N 2 2 481.557 -0.452 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729497009 1067902928 /nfs/dbraw/zinc/90/29/28/1067902928.db2.gz NWOFNEDSHVFENF-MSOLQXFVSA-N 2 2 452.581 -0.304 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729497009 1067902924 /nfs/dbraw/zinc/90/29/24/1067902924.db2.gz NWOFNEDSHVFENF-MSOLQXFVSA-N 2 2 452.581 -0.304 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729497010 1067902898 /nfs/dbraw/zinc/90/28/98/1067902898.db2.gz NWOFNEDSHVFENF-QZTJIDSGSA-N 2 2 452.581 -0.304 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729497010 1067902894 /nfs/dbraw/zinc/90/28/94/1067902894.db2.gz NWOFNEDSHVFENF-QZTJIDSGSA-N 2 2 452.581 -0.304 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729497011 1067903017 /nfs/dbraw/zinc/90/30/17/1067903017.db2.gz NWOFNEDSHVFENF-ROUUACIJSA-N 2 2 452.581 -0.304 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729497011 1067903013 /nfs/dbraw/zinc/90/30/13/1067903013.db2.gz NWOFNEDSHVFENF-ROUUACIJSA-N 2 2 452.581 -0.304 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729497012 1067902945 /nfs/dbraw/zinc/90/29/45/1067902945.db2.gz NWOFNEDSHVFENF-ZWKOTPCHSA-N 2 2 452.581 -0.304 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729497012 1067902942 /nfs/dbraw/zinc/90/29/42/1067902942.db2.gz NWOFNEDSHVFENF-ZWKOTPCHSA-N 2 2 452.581 -0.304 20 0 JBADLP CN(C)S(=O)(=O)N1CC[NH+](CCCCCC[NH+]2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000729815389 1067957842 /nfs/dbraw/zinc/95/78/42/1067957842.db2.gz YQOPDQBVHBHPAC-UHFFFAOYSA-N 2 2 468.690 -0.605 20 0 JBADLP CN(C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000730548644 1068462025 /nfs/dbraw/zinc/46/20/25/1068462025.db2.gz DRAWGJOCUYECBW-NRFANRHFSA-N 2 2 487.580 -0.058 20 0 JBADLP CN(C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000730548647 1068461962 /nfs/dbraw/zinc/46/19/62/1068461962.db2.gz DRAWGJOCUYECBW-OAQYLSRUSA-N 2 2 487.580 -0.058 20 0 JBADLP Cc1ccc(NC(=O)NCC(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000744272413 1068485846 /nfs/dbraw/zinc/48/58/46/1068485846.db2.gz URYOCGIKBAALCW-UHFFFAOYSA-N 2 2 488.593 -0.214 20 0 JBADLP [NH2+]=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(c2ncccn2)CC1 ZINC000849061944 1070665331 /nfs/dbraw/zinc/66/53/31/1070665331.db2.gz FQOQGLDULGUHNA-UHFFFAOYSA-N 2 2 459.580 -0.330 20 0 JBADLP CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849497438 1070684276 /nfs/dbraw/zinc/68/42/76/1070684276.db2.gz OBRJOQLKYBVHNQ-LEWJYISDSA-N 2 2 481.667 -0.130 20 0 JBADLP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849497438 1070684274 /nfs/dbraw/zinc/68/42/74/1070684274.db2.gz OBRJOQLKYBVHNQ-LEWJYISDSA-N 2 2 481.667 -0.130 20 0 JBADLP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849497439 1070684179 /nfs/dbraw/zinc/68/41/79/1070684179.db2.gz OBRJOQLKYBVHNQ-NHCUHLMSSA-N 2 2 481.667 -0.130 20 0 JBADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849497439 1070684176 /nfs/dbraw/zinc/68/41/76/1070684176.db2.gz OBRJOQLKYBVHNQ-NHCUHLMSSA-N 2 2 481.667 -0.130 20 0 JBADLP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849497440 1070684050 /nfs/dbraw/zinc/68/40/50/1070684050.db2.gz OBRJOQLKYBVHNQ-RTWAWAEBSA-N 2 2 481.667 -0.130 20 0 JBADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849497440 1070684044 /nfs/dbraw/zinc/68/40/44/1070684044.db2.gz OBRJOQLKYBVHNQ-RTWAWAEBSA-N 2 2 481.667 -0.130 20 0 JBADLP CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849497441 1070684237 /nfs/dbraw/zinc/68/42/37/1070684237.db2.gz OBRJOQLKYBVHNQ-SFTDATJTSA-N 2 2 481.667 -0.130 20 0 JBADLP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849497441 1070684235 /nfs/dbraw/zinc/68/42/35/1070684235.db2.gz OBRJOQLKYBVHNQ-SFTDATJTSA-N 2 2 481.667 -0.130 20 0 JBADLP CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)/C=C/C(=O)O[C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000916618213 1068142492 /nfs/dbraw/zinc/14/24/92/1068142492.db2.gz HELPPRLFIVAXNF-BNPWSIICSA-N 2 2 452.552 -0.266 20 0 JBADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)/C=C\C(=O)O[C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000916618215 1068142617 /nfs/dbraw/zinc/14/26/17/1068142617.db2.gz HELPPRLFIVAXNF-OPDSQHBBSA-N 2 2 452.552 -0.266 20 0 JBADLP CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)/C=C/C(=O)O[C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000916618217 1068142516 /nfs/dbraw/zinc/14/25/16/1068142516.db2.gz HELPPRLFIVAXNF-VUOWKATKSA-N 2 2 452.552 -0.266 20 0 JBADLP CC[NH+]1CCN(c2ccc(NC(=O)CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc2)CC1 ZINC000917053273 1068152875 /nfs/dbraw/zinc/15/28/75/1068152875.db2.gz WXNPTTKFUBKHMB-UHFFFAOYSA-N 2 2 493.678 -0.123 20 0 JBADLP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000918435757 1068202766 /nfs/dbraw/zinc/20/27/66/1068202766.db2.gz JODAZWSXNAAQPE-UHFFFAOYSA-N 2 2 493.634 -0.987 20 0 JBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001136134835 1068550294 /nfs/dbraw/zinc/55/02/94/1068550294.db2.gz DQOJYNCAUBTZKY-FQEVSTJZSA-N 2 2 459.595 -0.182 20 0 JBADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001136134836 1068550405 /nfs/dbraw/zinc/55/04/05/1068550405.db2.gz DQOJYNCAUBTZKY-HXUWFJFHSA-N 2 2 459.595 -0.182 20 0 JBADLP C[NH+](C)CCN1C[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC001136244304 1068552877 /nfs/dbraw/zinc/55/28/77/1068552877.db2.gz YBJLGFWKKNWZKB-KRWDZBQOSA-N 2 2 452.581 -0.940 20 0 JBADLP C[NH+](C)CCN1C[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC001136244305 1068553141 /nfs/dbraw/zinc/55/31/41/1068553141.db2.gz YBJLGFWKKNWZKB-QGZVFWFLSA-N 2 2 452.581 -0.940 20 0 JBADLP CN(C(=O)Cc1ccc(S(N)(=O)=O)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001136638558 1068561530 /nfs/dbraw/zinc/56/15/30/1068561530.db2.gz DSUKLYMVTSESHF-UHFFFAOYSA-N 2 2 451.593 -0.427 20 0 JBADLP C[NH+]1CC(C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)C1 ZINC001142595536 1069234955 /nfs/dbraw/zinc/23/49/55/1069234955.db2.gz CVZBEXPHAXWCFC-ROUUACIJSA-N 2 2 463.533 -0.003 20 0 JBADLP Cc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cc1 ZINC001143065906 1069238592 /nfs/dbraw/zinc/23/85/92/1069238592.db2.gz PONUUSXRARSFBL-UHFFFAOYSA-N 2 2 465.620 -0.030 20 0 JBADLP Cc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cc1 ZINC001143065906 1069238574 /nfs/dbraw/zinc/23/85/74/1069238574.db2.gz PONUUSXRARSFBL-UHFFFAOYSA-N 2 2 465.620 -0.030 20 0 JBADLP CN(C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144084446 1068575472 /nfs/dbraw/zinc/57/54/72/1068575472.db2.gz FSWKRFCJXXNFEJ-UHFFFAOYSA-N 2 2 455.563 -0.119 20 0 JBADLP C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001145096362 1068594625 /nfs/dbraw/zinc/59/46/25/1068594625.db2.gz OECQSGWGQPXLGT-SJORKVTESA-N 2 2 455.600 -0.043 20 0 JBADLP C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001145096362 1068594612 /nfs/dbraw/zinc/59/46/12/1068594612.db2.gz OECQSGWGQPXLGT-SJORKVTESA-N 2 2 455.600 -0.043 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@](C)(CO)NC(=O)OC(C)(C)C)CC2)C1=O ZINC001145107585 1068595588 /nfs/dbraw/zinc/59/55/88/1068595588.db2.gz BGUIOAKWFOKNKE-NRFANRHFSA-N 2 2 455.600 -0.041 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@](C)(CO)NC(=O)OC(C)(C)C)CC2)C1=O ZINC001145107585 1068595585 /nfs/dbraw/zinc/59/55/85/1068595585.db2.gz BGUIOAKWFOKNKE-NRFANRHFSA-N 2 2 455.600 -0.041 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC2)C1=O ZINC001146236841 1068604304 /nfs/dbraw/zinc/60/43/04/1068604304.db2.gz DLSLCCACAUAFCF-UHFFFAOYSA-N 2 2 468.599 -0.676 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC2)C1=O ZINC001146236841 1068604302 /nfs/dbraw/zinc/60/43/02/1068604302.db2.gz DLSLCCACAUAFCF-UHFFFAOYSA-N 2 2 468.599 -0.676 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)/C=C/C(=O)NCCNC(=O)OC(C)(C)C)CC2)C1=O ZINC001146358378 1068606675 /nfs/dbraw/zinc/60/66/75/1068606675.db2.gz IZSAILRURYSBOK-BQYQJAHWSA-N 2 2 494.637 -0.120 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)/C=C/C(=O)NCCNC(=O)OC(C)(C)C)CC2)C1=O ZINC001146358378 1068606658 /nfs/dbraw/zinc/60/66/58/1068606658.db2.gz IZSAILRURYSBOK-BQYQJAHWSA-N 2 2 494.637 -0.120 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CC2)C1=O ZINC001149830133 1069244376 /nfs/dbraw/zinc/24/43/76/1069244376.db2.gz MNUPUACEHXTLLS-UHFFFAOYSA-N 2 2 466.546 -0.119 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)CC2)C1=O ZINC001149830133 1069244360 /nfs/dbraw/zinc/24/43/60/1069244360.db2.gz MNUPUACEHXTLLS-UHFFFAOYSA-N 2 2 466.546 -0.119 20 0 JBADLP CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)cn21 ZINC001150327071 1069248291 /nfs/dbraw/zinc/24/82/91/1069248291.db2.gz VQYLGPVMZWGHPK-GOSISDBHSA-N 2 2 472.575 -0.027 20 0 JBADLP CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)cn21 ZINC001150327071 1069248278 /nfs/dbraw/zinc/24/82/78/1069248278.db2.gz VQYLGPVMZWGHPK-GOSISDBHSA-N 2 2 472.575 -0.027 20 0 JBADLP CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)cn21 ZINC001150327078 1069248569 /nfs/dbraw/zinc/24/85/69/1069248569.db2.gz VQYLGPVMZWGHPK-SFHVURJKSA-N 2 2 472.575 -0.027 20 0 JBADLP CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N(CC[NH3+])S(C)(=O)=O)cn21 ZINC001150327078 1069248553 /nfs/dbraw/zinc/24/85/53/1069248553.db2.gz VQYLGPVMZWGHPK-SFHVURJKSA-N 2 2 472.575 -0.027 20 0 JBADLP CN(C)C(=O)CN1Cc2c(C(=O)N(CCCC[NH3+])C(N)=[NH2+])ncn2-c2ccccc2S1(=O)=O ZINC001150383330 1069251965 /nfs/dbraw/zinc/25/19/65/1069251965.db2.gz LUPMETJGQKWEBG-UHFFFAOYSA-N 2 2 476.563 -0.461 20 0 JBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001157303990 1069292302 /nfs/dbraw/zinc/29/23/02/1069292302.db2.gz PZTVSRDKBDVQKW-DKIMLUQUSA-N 2 2 464.567 -0.131 20 0 JBADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001157304178 1069292664 /nfs/dbraw/zinc/29/26/64/1069292664.db2.gz URLQQIMBQMDLNZ-ZJOUEHCJSA-N 2 2 486.573 -0.173 20 0 JBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001157304178 1069292657 /nfs/dbraw/zinc/29/26/57/1069292657.db2.gz URLQQIMBQMDLNZ-ZJOUEHCJSA-N 2 2 486.573 -0.173 20 0 JBADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001157304518 1069292404 /nfs/dbraw/zinc/29/24/04/1069292404.db2.gz ZIACBGQZLIWVAU-ULQDDVLXSA-N 2 2 450.540 -0.601 20 0 JBADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001157304518 1069292393 /nfs/dbraw/zinc/29/23/93/1069292393.db2.gz ZIACBGQZLIWVAU-ULQDDVLXSA-N 2 2 450.540 -0.601 20 0 JBADLP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H](N)C[NH+]3CCC([NH3+])CC3)ccc12 ZINC001157364926 1069294555 /nfs/dbraw/zinc/29/45/55/1069294555.db2.gz NRTVNYVBDCPTIR-KRWDZBQOSA-N 2 2 458.519 -0.977 20 0 JBADLP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H](N)C[NH+]3CCC([NH3+])CC3)ccc12 ZINC001157364927 1069294343 /nfs/dbraw/zinc/29/43/43/1069294343.db2.gz NRTVNYVBDCPTIR-QGZVFWFLSA-N 2 2 458.519 -0.977 20 0 JBADLP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1=O ZINC001157382140 1069295204 /nfs/dbraw/zinc/29/52/04/1069295204.db2.gz LIKZDCCAJVAFQA-MSOLQXFVSA-N 2 2 459.595 -0.641 20 0 JBADLP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1=O ZINC001157382141 1069295371 /nfs/dbraw/zinc/29/53/71/1069295371.db2.gz LIKZDCCAJVAFQA-QZTJIDSGSA-N 2 2 459.595 -0.641 20 0 JBADLP C[NH+](C)CCN1C[C@@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1=O ZINC001157382142 1069295467 /nfs/dbraw/zinc/29/54/67/1069295467.db2.gz LIKZDCCAJVAFQA-ROUUACIJSA-N 2 2 459.595 -0.641 20 0 JBADLP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1=O ZINC001157382143 1069295335 /nfs/dbraw/zinc/29/53/35/1069295335.db2.gz LIKZDCCAJVAFQA-ZWKOTPCHSA-N 2 2 459.595 -0.641 20 0 JBADLP NC(=O)[C@@H]1CCCN1c1cc(N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nc[nH+]1 ZINC001157401494 1069296070 /nfs/dbraw/zinc/29/60/70/1069296070.db2.gz HDVAPUILBZDECV-ULQDDVLXSA-N 2 2 478.548 -0.349 20 0 JBADLP NC(=O)[C@H]1CCCN1c1cc(N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nc[nH+]1 ZINC001157401498 1069295891 /nfs/dbraw/zinc/29/58/91/1069295891.db2.gz HDVAPUILBZDECV-YESZJQIVSA-N 2 2 478.548 -0.349 20 0 JBADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001158006672 1069300727 /nfs/dbraw/zinc/30/07/27/1069300727.db2.gz MNYUUWDCEFODSB-BJLQDIEVSA-N 2 2 461.563 -0.823 20 0 JBADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001158006673 1069301099 /nfs/dbraw/zinc/30/10/99/1069301099.db2.gz MNYUUWDCEFODSB-NSHGMRRFSA-N 2 2 461.563 -0.823 20 0 JBADLP CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)cn21 ZINC001158110631 1069302140 /nfs/dbraw/zinc/30/21/40/1069302140.db2.gz HLNQEIWSJSZYIP-CJFMBICVSA-N 2 2 489.584 -0.083 20 0 JBADLP CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)cn21 ZINC001158110631 1069302125 /nfs/dbraw/zinc/30/21/25/1069302125.db2.gz HLNQEIWSJSZYIP-CJFMBICVSA-N 2 2 489.584 -0.083 20 0 JBADLP CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)cn21 ZINC001158110632 1069302229 /nfs/dbraw/zinc/30/22/29/1069302229.db2.gz HLNQEIWSJSZYIP-CPJSRVTESA-N 2 2 489.584 -0.083 20 0 JBADLP CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)cn21 ZINC001158110632 1069302215 /nfs/dbraw/zinc/30/22/15/1069302215.db2.gz HLNQEIWSJSZYIP-CPJSRVTESA-N 2 2 489.584 -0.083 20 0 JBADLP CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)cn21 ZINC001158110633 1069301913 /nfs/dbraw/zinc/30/19/13/1069301913.db2.gz HLNQEIWSJSZYIP-NBGIEHNGSA-N 2 2 489.584 -0.083 20 0 JBADLP CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)cn21 ZINC001158110633 1069301898 /nfs/dbraw/zinc/30/18/98/1069301898.db2.gz HLNQEIWSJSZYIP-NBGIEHNGSA-N 2 2 489.584 -0.083 20 0 JBADLP CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)cn21 ZINC001158110634 1069302049 /nfs/dbraw/zinc/30/20/49/1069302049.db2.gz HLNQEIWSJSZYIP-NLFFAJNJSA-N 2 2 489.584 -0.083 20 0 JBADLP CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)cn21 ZINC001158110634 1069302034 /nfs/dbraw/zinc/30/20/34/1069302034.db2.gz HLNQEIWSJSZYIP-NLFFAJNJSA-N 2 2 489.584 -0.083 20 0 JBADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001158292625 1069304999 /nfs/dbraw/zinc/30/49/99/1069304999.db2.gz NXELOSYTXCAZMK-GMXVVIOVSA-N 2 2 467.324 -0.296 20 0 JBADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001158292626 1069305090 /nfs/dbraw/zinc/30/50/90/1069305090.db2.gz NXELOSYTXCAZMK-GVXVVHGQSA-N 2 2 467.324 -0.296 20 0 JBADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC2 ZINC001158347555 1069304776 /nfs/dbraw/zinc/30/47/76/1069304776.db2.gz KWNCRFZCAMQXGD-UVIMBBFXSA-N 2 2 452.531 -0.453 20 0 JBADLP [NH3+]C1(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)CC[NH2+]CC1 ZINC001158351709 1069305834 /nfs/dbraw/zinc/30/58/34/1069305834.db2.gz CNSKDQURGUDRFP-AVRDEDQJSA-N 2 2 457.579 -0.539 20 0 JBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352643 1069306984 /nfs/dbraw/zinc/30/69/84/1069306984.db2.gz SSUQFEKMOKRABZ-WXVUKLJWSA-N 2 2 482.589 -0.316 20 0 JBADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352675 1069307599 /nfs/dbraw/zinc/30/75/99/1069307599.db2.gz USJVRQFDEFTWCY-VOSKCVMKSA-N 2 2 469.590 -0.670 20 0 JBADLP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)CCC2 ZINC001158352918 1069307333 /nfs/dbraw/zinc/30/73/33/1069307333.db2.gz XDBNUVHBJYECRX-CVKIWWORSA-N 2 2 469.590 -0.668 20 0 JBADLP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)CCC2 ZINC001158352921 1069307545 /nfs/dbraw/zinc/30/75/45/1069307545.db2.gz XDBNUVHBJYECRX-GABIRTJKSA-N 2 2 469.590 -0.668 20 0 JBADLP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)CCC2 ZINC001158352922 1069307654 /nfs/dbraw/zinc/30/76/54/1069307654.db2.gz XDBNUVHBJYECRX-RJADORODSA-N 2 2 469.590 -0.668 20 0 JBADLP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1CN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)CCC2 ZINC001158352924 1069307361 /nfs/dbraw/zinc/30/73/61/1069307361.db2.gz XDBNUVHBJYECRX-WJNSRDFLSA-N 2 2 469.590 -0.668 20 0 JBADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352982 1069307402 /nfs/dbraw/zinc/30/74/02/1069307402.db2.gz YDASVESYPZXCFL-GWJPWWOOSA-N 2 2 468.562 -0.327 20 0 JBADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352983 1069307742 /nfs/dbraw/zinc/30/77/42/1069307742.db2.gz YDASVESYPZXCFL-LTMIRXACSA-N 2 2 468.562 -0.327 20 0 JBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC001158694117 1069315645 /nfs/dbraw/zinc/31/56/45/1069315645.db2.gz RRCJVNAFBYFSPA-GBESFXJTSA-N 2 2 472.571 -0.192 20 0 JBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cc1 ZINC001158694124 1069315237 /nfs/dbraw/zinc/31/52/37/1069315237.db2.gz RRCJVNAFBYFSPA-IPMKNSEASA-N 2 2 472.571 -0.192 20 0 JBADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001158734537 1069316008 /nfs/dbraw/zinc/31/60/08/1069316008.db2.gz CJLOQHMUBZRHKS-HNNXBMFYSA-N 2 2 464.548 -0.069 20 0 JBADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158734567 1069316355 /nfs/dbraw/zinc/31/63/55/1069316355.db2.gz CUCQLGPLFJQNTO-HOCLYGCPSA-N 2 2 471.580 -0.258 20 0 JBADLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158821566 1069318003 /nfs/dbraw/zinc/31/80/03/1069318003.db2.gz MUAGWQOJJIARLX-HKUYNNGSSA-N 2 2 454.487 -0.443 20 0 JBADLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001158856318 1069318527 /nfs/dbraw/zinc/31/85/27/1069318527.db2.gz MEDMXLHCKZDLFU-RXVVDRJESA-N 2 2 458.563 -0.113 20 0 JBADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001158856318 1069318513 /nfs/dbraw/zinc/31/85/13/1069318513.db2.gz MEDMXLHCKZDLFU-RXVVDRJESA-N 2 2 458.563 -0.113 20 0 JBADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001159037783 1069325579 /nfs/dbraw/zinc/32/55/79/1069325579.db2.gz PEQJZOKNUKYEDA-HKUYNNGSSA-N 2 2 461.563 -0.073 20 0 JBADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001159037783 1069325565 /nfs/dbraw/zinc/32/55/65/1069325565.db2.gz PEQJZOKNUKYEDA-HKUYNNGSSA-N 2 2 461.563 -0.073 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1)CC2 ZINC001159073726 1069326390 /nfs/dbraw/zinc/32/63/90/1069326390.db2.gz BLOOEMDHJQPLLI-KRWDZBQOSA-N 2 2 483.577 -0.980 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[NH2+]C[C@@]13c1ccccc1NC3=O)CC2 ZINC001159073749 1069326119 /nfs/dbraw/zinc/32/61/19/1069326119.db2.gz CKKBHDUSVXVTCK-AVRWGWEMSA-N 2 2 477.569 -0.198 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[NH2+]C[C@]13c1ccccc1NC3=O)CC2 ZINC001159073750 1069326088 /nfs/dbraw/zinc/32/60/88/1069326088.db2.gz CKKBHDUSVXVTCK-BVZFJXPGSA-N 2 2 477.569 -0.198 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[NH2+]C[C@]13c1ccccc1NC3=O)CC2 ZINC001159073751 1069326429 /nfs/dbraw/zinc/32/64/29/1069326429.db2.gz CKKBHDUSVXVTCK-CJAUYULYSA-N 2 2 477.569 -0.198 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[NH2+]C[C@@]13c1ccccc1NC3=O)CC2 ZINC001159073752 1069326266 /nfs/dbraw/zinc/32/62/66/1069326266.db2.gz CKKBHDUSVXVTCK-IQGLISFBSA-N 2 2 477.569 -0.198 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])CC2 ZINC001159073897 1069326151 /nfs/dbraw/zinc/32/61/51/1069326151.db2.gz FCKIVRIINPHKBH-IBGZPJMESA-N 2 2 467.574 -0.621 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1csc(N3CC[NH2+]CC3)n1)CC2 ZINC001159073954 1069326357 /nfs/dbraw/zinc/32/63/57/1069326357.db2.gz FYRRSHIXWDTMOZ-UHFFFAOYSA-N 2 2 458.592 -0.128 20 0 JBADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)COC1(C)C ZINC001159074008 1069326303 /nfs/dbraw/zinc/32/63/03/1069326303.db2.gz HAHKPMDQOUAOMP-YOEHRIQHSA-N 2 2 461.567 -0.997 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)CC2 ZINC001159074692 1069325932 /nfs/dbraw/zinc/32/59/32/1069325932.db2.gz ITWHYGFOHLVFGB-KRWDZBQOSA-N 2 2 467.578 -0.765 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)CC2 ZINC001159074696 1069327169 /nfs/dbraw/zinc/32/71/69/1069327169.db2.gz ITWHYGFOHLVFGB-QGZVFWFLSA-N 2 2 467.578 -0.765 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)CC2 ZINC001159074706 1069327294 /nfs/dbraw/zinc/32/72/94/1069327294.db2.gz JASMXJVLDXXLCS-HNNXBMFYSA-N 2 2 487.527 -0.132 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2 ZINC001159075393 1069327020 /nfs/dbraw/zinc/32/70/20/1069327020.db2.gz OMBLSPJHVROVBG-OALUTQOASA-N 3 2 488.637 -0.860 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC001159075898 1069326712 /nfs/dbraw/zinc/32/67/12/1069326712.db2.gz QALGUPXTKFKBHV-IBGZPJMESA-N 2 2 467.574 -0.621 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cnc(N3CC[NH2+]CC3)cn1)CC2 ZINC001159075944 1069326748 /nfs/dbraw/zinc/32/67/48/1069326748.db2.gz QMNURNHTOQFCDT-UHFFFAOYSA-N 2 2 453.551 -0.794 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cccnc1N1CC[NH2+]CC1)CC2 ZINC001159076152 1069327222 /nfs/dbraw/zinc/32/72/22/1069327222.db2.gz SCIPOSUIBHGAEM-UHFFFAOYSA-N 2 2 452.563 -0.189 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])Cc1ccc(C(N)=O)cc1)CC2 ZINC001159076154 1069326821 /nfs/dbraw/zinc/32/68/21/1069326821.db2.gz SCLFDZDLRBZLTH-SFHVURJKSA-N 2 2 453.547 -0.639 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159076171 1069326895 /nfs/dbraw/zinc/32/68/95/1069326895.db2.gz SLBSABQQCSERDW-IBGZPJMESA-N 3 2 459.595 -0.855 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159076171 1069326885 /nfs/dbraw/zinc/32/68/85/1069326885.db2.gz SLBSABQQCSERDW-IBGZPJMESA-N 3 2 459.595 -0.855 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159076172 1069326669 /nfs/dbraw/zinc/32/66/69/1069326669.db2.gz SLBSABQQCSERDW-LJQANCHMSA-N 3 2 459.595 -0.855 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)CC2 ZINC001159076172 1069326657 /nfs/dbraw/zinc/32/66/57/1069326657.db2.gz SLBSABQQCSERDW-LJQANCHMSA-N 3 2 459.595 -0.855 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])C1CCC3(CC1)OCCO3)CC2 ZINC001159076324 1069326959 /nfs/dbraw/zinc/32/69/59/1069326959.db2.gz UCHMCVMTVLWYFU-IBGZPJMESA-N 2 2 460.579 -0.047 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]([NH3+])C1CCC3(CC1)OCCO3)CC2 ZINC001159076326 1069327073 /nfs/dbraw/zinc/32/70/73/1069327073.db2.gz UCHMCVMTVLWYFU-LJQANCHMSA-N 2 2 460.579 -0.047 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001159076347 1069326929 /nfs/dbraw/zinc/32/69/29/1069326929.db2.gz UDJMTWXMXLZFDG-KRWDZBQOSA-N 2 2 478.619 -0.893 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)CC2 ZINC001159076351 1069327105 /nfs/dbraw/zinc/32/71/05/1069327105.db2.gz UDJMTWXMXLZFDG-QGZVFWFLSA-N 2 2 478.619 -0.893 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1Cn3ccnc3C13CC[NH2+]CC3)CC2 ZINC001159076371 1069326785 /nfs/dbraw/zinc/32/67/85/1069326785.db2.gz UFHQARFOUBZZFG-GOSISDBHSA-N 2 2 466.590 -0.160 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1Cn3ccnc3C13CC[NH2+]CC3)CC2 ZINC001159076374 1069327252 /nfs/dbraw/zinc/32/72/52/1069327252.db2.gz UFHQARFOUBZZFG-SFHVURJKSA-N 2 2 466.590 -0.160 20 0 JBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001159076526 1069326601 /nfs/dbraw/zinc/32/66/01/1069326601.db2.gz IUYCXFJEYIJZRC-HLIPFELVSA-N 2 2 457.593 -0.344 20 0 JBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001159076527 1069327204 /nfs/dbraw/zinc/32/72/04/1069327204.db2.gz IUYCXFJEYIJZRC-QKLQHJQFSA-N 2 2 457.593 -0.344 20 0 JBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001159076528 1069326985 /nfs/dbraw/zinc/32/69/85/1069326985.db2.gz IUYCXFJEYIJZRC-UWVAXJGDSA-N 2 2 457.593 -0.344 20 0 JBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2 ZINC001159076529 1069328087 /nfs/dbraw/zinc/32/80/87/1069328087.db2.gz IUYCXFJEYIJZRC-ZWOKBUDYSA-N 2 2 457.593 -0.344 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)CC2 ZINC001159076795 1069327915 /nfs/dbraw/zinc/32/79/15/1069327915.db2.gz WTSALSWMFZBCFX-ROUUACIJSA-N 2 2 457.579 -0.565 20 0 JBADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001159077622 1069327507 /nfs/dbraw/zinc/32/75/07/1069327507.db2.gz RRYIBCBTKOHZBQ-GKAYAJSDSA-N 3 2 467.611 -0.311 20 0 JBADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001159077624 1069327859 /nfs/dbraw/zinc/32/78/59/1069327859.db2.gz RRYIBCBTKOHZBQ-KEXUJGGDSA-N 3 2 467.611 -0.311 20 0 JBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001159077627 1069328200 /nfs/dbraw/zinc/32/82/00/1069328200.db2.gz RRYIBCBTKOHZBQ-KGYLXKDPSA-N 3 2 467.611 -0.311 20 0 JBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001159077629 1069327729 /nfs/dbraw/zinc/32/77/29/1069327729.db2.gz RRYIBCBTKOHZBQ-XQQXVUDOSA-N 3 2 467.611 -0.311 20 0 JBADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001159078193 1069327645 /nfs/dbraw/zinc/32/76/45/1069327645.db2.gz UYWCUFFCFGLDGN-HOIFWPIMSA-N 2 2 462.551 -0.431 20 0 JBADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001159078194 1069327549 /nfs/dbraw/zinc/32/75/49/1069327549.db2.gz UYWCUFFCFGLDGN-HYFFOGBASA-N 2 2 462.551 -0.431 20 0 JBADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001159078195 1069328151 /nfs/dbraw/zinc/32/81/51/1069328151.db2.gz UYWCUFFCFGLDGN-JLHGSKIFSA-N 2 2 462.551 -0.431 20 0 JBADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001159078198 1069328038 /nfs/dbraw/zinc/32/80/38/1069328038.db2.gz UYWCUFFCFGLDGN-PNLZDCPESA-N 2 2 462.551 -0.431 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cnn3c1nccc3[C@@H]1C[NH2+]CCO1)CC2 ZINC001159084817 1069327778 /nfs/dbraw/zinc/32/77/78/1069327778.db2.gz MAUUABYBNCCKGL-FQEVSTJZSA-N 2 2 493.572 -0.290 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cnn3c1nccc3[C@H]1C[NH2+]CCO1)CC2 ZINC001159084818 1069327616 /nfs/dbraw/zinc/32/76/16/1069327616.db2.gz MAUUABYBNCCKGL-HXUWFJFHSA-N 2 2 493.572 -0.290 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@@H]1NC3=O)CC2 ZINC001159085267 1069327824 /nfs/dbraw/zinc/32/78/24/1069327824.db2.gz PVTBBAZHMZUZTH-PMACEKPBSA-N 2 2 477.569 -0.195 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@@H]1NC3=O)CC2 ZINC001159085268 1069327701 /nfs/dbraw/zinc/32/77/01/1069327701.db2.gz PVTBBAZHMZUZTH-UXHICEINSA-N 2 2 477.569 -0.195 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccc3c(c1)[C@@H]1C[NH2+]C[C@H]1NC3=O)CC2 ZINC001159085269 1069328121 /nfs/dbraw/zinc/32/81/21/1069328121.db2.gz PVTBBAZHMZUZTH-VQTJNVASSA-N 2 2 477.569 -0.195 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ccc3c(c1)[C@H]1C[NH2+]C[C@H]1NC3=O)CC2 ZINC001159085270 1069328003 /nfs/dbraw/zinc/32/80/03/1069328003.db2.gz PVTBBAZHMZUZTH-WOJBJXKFSA-N 2 2 477.569 -0.195 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c3cnccn3)C2)C1 ZINC001159122846 1069329626 /nfs/dbraw/zinc/32/96/26/1069329626.db2.gz BCBZHPRQPOVPMO-HTAPYJJXSA-N 2 2 461.567 -0.999 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c3cnccn3)C2)C1 ZINC001159122846 1069329608 /nfs/dbraw/zinc/32/96/08/1069329608.db2.gz BCBZHPRQPOVPMO-HTAPYJJXSA-N 2 2 461.567 -0.999 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c3cnccn3)C2)C1 ZINC001159122847 1069329220 /nfs/dbraw/zinc/32/92/20/1069329220.db2.gz BCBZHPRQPOVPMO-JTSKRJEESA-N 2 2 461.567 -0.999 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c3cnccn3)C2)C1 ZINC001159122847 1069329205 /nfs/dbraw/zinc/32/92/05/1069329205.db2.gz BCBZHPRQPOVPMO-JTSKRJEESA-N 2 2 461.567 -0.999 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c3ccccn3)C2)C1 ZINC001159123920 1069329392 /nfs/dbraw/zinc/32/93/92/1069329392.db2.gz KXQFICJYGUIPKJ-CYFREDJKSA-N 2 2 474.606 -0.004 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c3ccccn3)C2)C1 ZINC001159123920 1069329378 /nfs/dbraw/zinc/32/93/78/1069329378.db2.gz KXQFICJYGUIPKJ-CYFREDJKSA-N 2 2 474.606 -0.004 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c3ccccn3)C2)C1 ZINC001159123922 1069329685 /nfs/dbraw/zinc/32/96/85/1069329685.db2.gz KXQFICJYGUIPKJ-YADARESESA-N 2 2 474.606 -0.004 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)c3ccccn3)C2)C1 ZINC001159123922 1069329666 /nfs/dbraw/zinc/32/96/66/1069329666.db2.gz KXQFICJYGUIPKJ-YADARESESA-N 2 2 474.606 -0.004 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cnn4c3nccc4[C@H]3C[NH2+]CCO3)C2)C1 ZINC001159125476 1069330642 /nfs/dbraw/zinc/33/06/42/1069330642.db2.gz GNOGLPZMZXQZOW-AUSIDOKSSA-N 2 2 471.562 -0.309 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cnn4c3nccc4[C@H]3C[NH2+]CCO3)C2)C1 ZINC001159125476 1069330622 /nfs/dbraw/zinc/33/06/22/1069330622.db2.gz GNOGLPZMZXQZOW-AUSIDOKSSA-N 2 2 471.562 -0.309 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnn4c3nccc4[C@@H]3C[NH2+]CCO3)C2)C1 ZINC001159125477 1069330221 /nfs/dbraw/zinc/33/02/21/1069330221.db2.gz GNOGLPZMZXQZOW-CVDCTZTESA-N 2 2 471.562 -0.309 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnn4c3nccc4[C@@H]3C[NH2+]CCO3)C2)C1 ZINC001159125477 1069330204 /nfs/dbraw/zinc/33/02/04/1069330204.db2.gz GNOGLPZMZXQZOW-CVDCTZTESA-N 2 2 471.562 -0.309 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cnn4c3nccc4[C@@H]3C[NH2+]CCO3)C2)C1 ZINC001159125478 1069330509 /nfs/dbraw/zinc/33/05/09/1069330509.db2.gz GNOGLPZMZXQZOW-WMZHIEFXSA-N 2 2 471.562 -0.309 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cnn4c3nccc4[C@@H]3C[NH2+]CCO3)C2)C1 ZINC001159125478 1069330492 /nfs/dbraw/zinc/33/04/92/1069330492.db2.gz GNOGLPZMZXQZOW-WMZHIEFXSA-N 2 2 471.562 -0.309 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnn4c3nccc4[C@H]3C[NH2+]CCO3)C2)C1 ZINC001159125479 1069331088 /nfs/dbraw/zinc/33/10/88/1069331088.db2.gz GNOGLPZMZXQZOW-XXBNENTESA-N 2 2 471.562 -0.309 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnn4c3nccc4[C@H]3C[NH2+]CCO3)C2)C1 ZINC001159125479 1069331076 /nfs/dbraw/zinc/33/10/76/1069331076.db2.gz GNOGLPZMZXQZOW-XXBNENTESA-N 2 2 471.562 -0.309 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])COC(C)(C)C)C2)C1 ZINC001159126588 1069331567 /nfs/dbraw/zinc/33/15/67/1069331567.db2.gz PJKYXWAVMLSWNU-AXHZCLLHSA-N 2 2 481.638 -0.193 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])COC(C)(C)C)C2)C1 ZINC001159126588 1069331553 /nfs/dbraw/zinc/33/15/53/1069331553.db2.gz PJKYXWAVMLSWNU-AXHZCLLHSA-N 2 2 481.638 -0.193 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])COC(C)(C)C)C2)C1 ZINC001159126589 1069331293 /nfs/dbraw/zinc/33/12/93/1069331293.db2.gz PJKYXWAVMLSWNU-JXQFQVJHSA-N 2 2 481.638 -0.193 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])COC(C)(C)C)C2)C1 ZINC001159126589 1069331279 /nfs/dbraw/zinc/33/12/79/1069331279.db2.gz PJKYXWAVMLSWNU-JXQFQVJHSA-N 2 2 481.638 -0.193 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4c(c3)[C@@H]3C[NH2+]C[C@H]3NC4=O)C2)C1 ZINC001159126903 1069331757 /nfs/dbraw/zinc/33/17/57/1069331757.db2.gz QVDJJTFERQUPNK-DCLXLUIPSA-N 2 2 455.559 -0.214 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4c(c3)[C@@H]3C[NH2+]C[C@H]3NC4=O)C2)C1 ZINC001159126903 1069331740 /nfs/dbraw/zinc/33/17/40/1069331740.db2.gz QVDJJTFERQUPNK-DCLXLUIPSA-N 2 2 455.559 -0.214 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4c(c3)[C@H]3C[NH2+]C[C@@H]3NC4=O)C2)C1 ZINC001159126906 1069330926 /nfs/dbraw/zinc/33/09/26/1069330926.db2.gz QVDJJTFERQUPNK-JXALWOEJSA-N 2 2 455.559 -0.214 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4c(c3)[C@H]3C[NH2+]C[C@@H]3NC4=O)C2)C1 ZINC001159126906 1069330912 /nfs/dbraw/zinc/33/09/12/1069330912.db2.gz QVDJJTFERQUPNK-JXALWOEJSA-N 2 2 455.559 -0.214 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4c(c3)[C@@H]3C[NH2+]C[C@@H]3NC4=O)C2)C1 ZINC001159126909 1069331704 /nfs/dbraw/zinc/33/17/04/1069331704.db2.gz QVDJJTFERQUPNK-MZLICYQSSA-N 2 2 455.559 -0.214 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4c(c3)[C@@H]3C[NH2+]C[C@@H]3NC4=O)C2)C1 ZINC001159126909 1069331688 /nfs/dbraw/zinc/33/16/88/1069331688.db2.gz QVDJJTFERQUPNK-MZLICYQSSA-N 2 2 455.559 -0.214 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4c(c3)[C@H]3C[NH2+]C[C@H]3NC4=O)C2)C1 ZINC001159126913 1069331393 /nfs/dbraw/zinc/33/13/93/1069331393.db2.gz QVDJJTFERQUPNK-YOSAUDMPSA-N 2 2 455.559 -0.214 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc4c(c3)[C@H]3C[NH2+]C[C@H]3NC4=O)C2)C1 ZINC001159126913 1069331379 /nfs/dbraw/zinc/33/13/79/1069331379.db2.gz QVDJJTFERQUPNK-YOSAUDMPSA-N 2 2 455.559 -0.214 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C[NH3+])C2)C1 ZINC001159127181 1069331200 /nfs/dbraw/zinc/33/12/00/1069331200.db2.gz SDEFLWYTQPVYPR-OFVILXPXSA-N 2 2 484.601 -0.159 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C[NH3+])C2)C1 ZINC001159127181 1069331185 /nfs/dbraw/zinc/33/11/85/1069331185.db2.gz SDEFLWYTQPVYPR-OFVILXPXSA-N 2 2 484.601 -0.159 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C[NH3+])C2)C1 ZINC001159127193 1069331513 /nfs/dbraw/zinc/33/15/13/1069331513.db2.gz SDEFLWYTQPVYPR-SQJMNOBHSA-N 2 2 484.601 -0.159 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C[NH3+])C2)C1 ZINC001159127193 1069331497 /nfs/dbraw/zinc/33/14/97/1069331497.db2.gz SDEFLWYTQPVYPR-SQJMNOBHSA-N 2 2 484.601 -0.159 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C2)C1 ZINC001159128315 1069331335 /nfs/dbraw/zinc/33/13/35/1069331335.db2.gz YBWMGQFQGBWJJE-HNAYVOBHSA-N 2 2 465.517 -0.151 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C2)C1 ZINC001159128315 1069331321 /nfs/dbraw/zinc/33/13/21/1069331321.db2.gz YBWMGQFQGBWJJE-HNAYVOBHSA-N 2 2 465.517 -0.151 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C2)C1 ZINC001159128317 1069331119 /nfs/dbraw/zinc/33/11/19/1069331119.db2.gz YBWMGQFQGBWJJE-KXBFYZLASA-N 2 2 465.517 -0.151 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)C2)C1 ZINC001159128317 1069331109 /nfs/dbraw/zinc/33/11/09/1069331109.db2.gz YBWMGQFQGBWJJE-KXBFYZLASA-N 2 2 465.517 -0.151 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C1 ZINC001159128430 1069331021 /nfs/dbraw/zinc/33/10/21/1069331021.db2.gz ZQQVEYQDFYMTFY-SFYKDHMMSA-N 3 2 466.627 -0.879 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C1 ZINC001159128430 1069331007 /nfs/dbraw/zinc/33/10/07/1069331007.db2.gz ZQQVEYQDFYMTFY-SFYKDHMMSA-N 3 2 466.627 -0.879 20 0 JBADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C1 ZINC001159128431 1069331636 /nfs/dbraw/zinc/33/16/36/1069331636.db2.gz ZQQVEYQDFYMTFY-YDHSSHFGSA-N 3 2 466.627 -0.879 20 0 JBADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])C2)C1 ZINC001159128431 1069331624 /nfs/dbraw/zinc/33/16/24/1069331624.db2.gz ZQQVEYQDFYMTFY-YDHSSHFGSA-N 3 2 466.627 -0.879 20 0 JBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001159180715 1069333804 /nfs/dbraw/zinc/33/38/04/1069333804.db2.gz GGOWDLCUZFJHLT-JXFKEZNVSA-N 2 2 452.581 -0.978 20 0 JBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001159180718 1069333758 /nfs/dbraw/zinc/33/37/58/1069333758.db2.gz GGOWDLCUZFJHLT-OXJNMPFZSA-N 2 2 452.581 -0.978 20 0 JBADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CC3)C1=O ZINC001159190189 1069335455 /nfs/dbraw/zinc/33/54/55/1069335455.db2.gz IYWIYZRSUJVRAP-AVRDEDQJSA-N 2 2 463.604 -0.009 20 0 JBADLP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CC3)C1=O ZINC001159190190 1069336362 /nfs/dbraw/zinc/33/63/62/1069336362.db2.gz IYWIYZRSUJVRAP-GCJKJVERSA-N 2 2 463.604 -0.009 20 0 JBADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CC3)C1=O ZINC001159190192 1069336001 /nfs/dbraw/zinc/33/60/01/1069336001.db2.gz IYWIYZRSUJVRAP-PGRDOPGGSA-N 2 2 463.604 -0.009 20 0 JBADLP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CC3)C1=O ZINC001159190193 1069336235 /nfs/dbraw/zinc/33/62/35/1069336235.db2.gz IYWIYZRSUJVRAP-XMSQKQJNSA-N 2 2 463.604 -0.009 20 0 JBADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001159284103 1069339923 /nfs/dbraw/zinc/33/99/23/1069339923.db2.gz VKKDCHBAXMCUTK-QKLQHJQFSA-N 2 2 469.546 -0.230 20 0 JBADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001159284104 1069339858 /nfs/dbraw/zinc/33/98/58/1069339858.db2.gz VKKDCHBAXMCUTK-ZWOKBUDYSA-N 2 2 469.546 -0.230 20 0 JBADLP CCn1nnc2c1[C@@H](C(=O)n1cc3c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C3)C[NH2+]C2 ZINC001159393371 1069341385 /nfs/dbraw/zinc/34/13/85/1069341385.db2.gz DGCAOIGVKNGWCP-YQQAZPJKSA-N 2 2 472.575 -0.684 20 0 JBADLP CCn1nnc2c1[C@H](C(=O)n1cc3c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C3)C[NH2+]C2 ZINC001159393372 1069342264 /nfs/dbraw/zinc/34/22/64/1069342264.db2.gz DGCAOIGVKNGWCP-ZMSDIMECSA-N 2 2 472.575 -0.684 20 0 JBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cc1 ZINC001159393384 1069341997 /nfs/dbraw/zinc/34/19/97/1069341997.db2.gz DQXVPXWZTZININ-GBESFXJTSA-N 3 2 456.572 -0.175 20 0 JBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)cc1 ZINC001159393385 1069342231 /nfs/dbraw/zinc/34/22/31/1069342231.db2.gz DQXVPXWZTZININ-IPMKNSEASA-N 3 2 456.572 -0.175 20 0 JBADLP C[N@H+]1C[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)OC2(CC[NH2+]CC2)C1 ZINC001159395020 1069342947 /nfs/dbraw/zinc/34/29/47/1069342947.db2.gz UJUGINRIWSVLRY-GBESFXJTSA-N 3 2 490.630 -0.729 20 0 JBADLP C[N@@H+]1C[C@@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)OC2(CC[NH2+]CC2)C1 ZINC001159395020 1069342929 /nfs/dbraw/zinc/34/29/29/1069342929.db2.gz UJUGINRIWSVLRY-GBESFXJTSA-N 3 2 490.630 -0.729 20 0 JBADLP C[N@H+]1C[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)OC2(CC[NH2+]CC2)C1 ZINC001159395023 1069342801 /nfs/dbraw/zinc/34/28/01/1069342801.db2.gz UJUGINRIWSVLRY-IPMKNSEASA-N 3 2 490.630 -0.729 20 0 JBADLP C[N@@H+]1C[C@H](C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)OC2(CC[NH2+]CC2)C1 ZINC001159395023 1069342782 /nfs/dbraw/zinc/34/27/82/1069342782.db2.gz UJUGINRIWSVLRY-IPMKNSEASA-N 3 2 490.630 -0.729 20 0 JBADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001159424759 1069344908 /nfs/dbraw/zinc/34/49/08/1069344908.db2.gz LSCTXAJPDUZQJH-HXUPBZAASA-N 2 2 472.590 -0.274 20 0 JBADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1C[C@@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001159424759 1069344895 /nfs/dbraw/zinc/34/48/95/1069344895.db2.gz LSCTXAJPDUZQJH-HXUPBZAASA-N 2 2 472.590 -0.274 20 0 JBADLP O=C([C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457468 1069347718 /nfs/dbraw/zinc/34/77/18/1069347718.db2.gz HXAUNWPCLULLEG-CWJKEVGVSA-N 2 2 482.647 -0.429 20 0 JBADLP O=C([C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457468 1069347701 /nfs/dbraw/zinc/34/77/01/1069347701.db2.gz HXAUNWPCLULLEG-CWJKEVGVSA-N 2 2 482.647 -0.429 20 0 JBADLP O=C([C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457469 1069347880 /nfs/dbraw/zinc/34/78/80/1069347880.db2.gz HXAUNWPCLULLEG-GFOJFJKKSA-N 2 2 482.647 -0.429 20 0 JBADLP O=C([C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457469 1069347866 /nfs/dbraw/zinc/34/78/66/1069347866.db2.gz HXAUNWPCLULLEG-GFOJFJKKSA-N 2 2 482.647 -0.429 20 0 JBADLP O=C([C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457470 1069347926 /nfs/dbraw/zinc/34/79/26/1069347926.db2.gz HXAUNWPCLULLEG-MJUUVYJYSA-N 2 2 482.647 -0.429 20 0 JBADLP O=C([C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457470 1069347911 /nfs/dbraw/zinc/34/79/11/1069347911.db2.gz HXAUNWPCLULLEG-MJUUVYJYSA-N 2 2 482.647 -0.429 20 0 JBADLP O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](C4CC[NH2+]CC4)C3)C[C@@H]21)N1CCOCC1 ZINC001159457471 1069347650 /nfs/dbraw/zinc/34/76/50/1069347650.db2.gz HXAUNWPCLULLEG-OYNPSCLESA-N 2 2 482.647 -0.429 20 0 JBADLP O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)C[C@@H]21)N1CCOCC1 ZINC001159457471 1069347628 /nfs/dbraw/zinc/34/76/28/1069347628.db2.gz HXAUNWPCLULLEG-OYNPSCLESA-N 2 2 482.647 -0.429 20 0 JBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cc1 ZINC001159458946 1069349415 /nfs/dbraw/zinc/34/94/15/1069349415.db2.gz SCEWWTHMJSXLMK-AKHDSKFASA-N 2 2 450.561 -0.621 20 0 JBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cc1 ZINC001159458947 1069349104 /nfs/dbraw/zinc/34/91/04/1069349104.db2.gz SCEWWTHMJSXLMK-NCXUSEDFSA-N 2 2 450.561 -0.621 20 0 JBADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)cc1 ZINC001159458948 1069349516 /nfs/dbraw/zinc/34/95/16/1069349516.db2.gz SCEWWTHMJSXLMK-WJFTUGDTSA-N 2 2 450.561 -0.621 20 0 JBADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)cc1 ZINC001159458949 1069349240 /nfs/dbraw/zinc/34/92/40/1069349240.db2.gz SCEWWTHMJSXLMK-ZSYWTGECSA-N 2 2 450.561 -0.621 20 0 JBADLP CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@H]4C[NH2+]C[C@@H]4[NH3+])CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159506494 1069351843 /nfs/dbraw/zinc/35/18/43/1069351843.db2.gz BMSAMZXEIIGNRT-VDNWNZSNSA-N 2 2 469.652 -0.414 20 0 JBADLP CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H]4C[C@@H]([NH3+])C[NH2+]4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159506944 1069351914 /nfs/dbraw/zinc/35/19/14/1069351914.db2.gz ISXWFSHCONPMBE-BZDHPDOMSA-N 2 2 469.652 -0.272 20 0 JBADLP CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H]4C[C@H]([NH3+])C[NH2+]4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159506945 1069352096 /nfs/dbraw/zinc/35/20/96/1069352096.db2.gz ISXWFSHCONPMBE-VDNWNZSNSA-N 2 2 469.652 -0.272 20 0 JBADLP CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@]45C[NH2+]C[C@@H]4CC[NH2+]5)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159508187 1069352433 /nfs/dbraw/zinc/35/24/33/1069352433.db2.gz UGAPHMZHSWNEFN-IZORYLLQSA-N 2 2 495.690 -0.010 20 0 JBADLP CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@]45C[NH2+]C[C@H]4CC[NH2+]5)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159508188 1069352827 /nfs/dbraw/zinc/35/28/27/1069352827.db2.gz UGAPHMZHSWNEFN-LZFFWASXSA-N 2 2 495.690 -0.010 20 0 JBADLP CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@]45C[NH2+]C[C@H]4CC[NH2+]5)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159508189 1069352514 /nfs/dbraw/zinc/35/25/14/1069352514.db2.gz UGAPHMZHSWNEFN-RKGYPADOSA-N 2 2 495.690 -0.010 20 0 JBADLP CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@]45C[NH2+]C[C@@H]4CC[NH2+]5)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159508190 1069352546 /nfs/dbraw/zinc/35/25/46/1069352546.db2.gz UGAPHMZHSWNEFN-TWXAQOBRSA-N 2 2 495.690 -0.010 20 0 JBADLP CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H]4C[C@H]5C[NH2+]C[C@H]5[NH2+]4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159508614 1069352711 /nfs/dbraw/zinc/35/27/11/1069352711.db2.gz ZHDWREDPNMQUHM-BPJSAFFHSA-N 2 2 495.690 -0.011 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514918 1069353221 /nfs/dbraw/zinc/35/32/21/1069353221.db2.gz LVRWBNBWJDNBBQ-ROUUACIJSA-N 2 2 485.593 -0.346 20 0 JBADLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159515080 1069353424 /nfs/dbraw/zinc/35/34/24/1069353424.db2.gz PCGIQEKFEASOSP-HKUYNNGSSA-N 2 2 468.518 -0.992 20 0 JBADLP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001159526900 1069353041 /nfs/dbraw/zinc/35/30/41/1069353041.db2.gz AIOXIDAEYGNYGU-MSOLQXFVSA-N 2 2 450.584 -0.316 20 0 JBADLP CC(C)C[C@H]([NH3+])C(=O)NCC(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001159526901 1069353311 /nfs/dbraw/zinc/35/33/11/1069353311.db2.gz AIOXIDAEYGNYGU-ROUUACIJSA-N 2 2 450.584 -0.316 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]([NH3+])Cc1ccc(C(N)=O)cc1)C2 ZINC001159526944 1069353377 /nfs/dbraw/zinc/35/33/77/1069353377.db2.gz BGGFAPXLYSHODL-PMACEKPBSA-N 2 2 470.574 -0.136 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]([NH3+])Cc1ccc(C(N)=O)cc1)C2 ZINC001159526945 1069353138 /nfs/dbraw/zinc/35/31/38/1069353138.db2.gz BGGFAPXLYSHODL-UXHICEINSA-N 2 2 470.574 -0.136 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC001159527385 1069353575 /nfs/dbraw/zinc/35/35/75/1069353575.db2.gz CLWQODUUKIDKMR-DYXWJJEUSA-N 2 2 474.606 -0.062 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)C2 ZINC001159527388 1069353471 /nfs/dbraw/zinc/35/34/71/1069353471.db2.gz CLWQODUUKIDKMR-ZJOUEHCJSA-N 2 2 474.606 -0.062 20 0 JBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001159527558 1069353521 /nfs/dbraw/zinc/35/35/21/1069353521.db2.gz DEDXFENASOLKTJ-QKLQHJQFSA-N 2 2 450.584 -0.316 20 0 JBADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001159527561 1069353257 /nfs/dbraw/zinc/35/32/57/1069353257.db2.gz DEDXFENASOLKTJ-ZWOKBUDYSA-N 2 2 450.584 -0.316 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cnc(N3CC[NH2+]CC3)cn1)C2 ZINC001159528926 1069353450 /nfs/dbraw/zinc/35/34/50/1069353450.db2.gz JCRHCDHYVHVVNM-GOSISDBHSA-N 2 2 470.578 -0.292 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cnc(N3CC[NH2+]CC3)cn1)C2 ZINC001159528931 1069353496 /nfs/dbraw/zinc/35/34/96/1069353496.db2.gz JCRHCDHYVHVVNM-SFHVURJKSA-N 2 2 470.578 -0.292 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C2 ZINC001159529376 1069354458 /nfs/dbraw/zinc/35/44/58/1069354458.db2.gz JNFJYEMGODVKPT-RTWAWAEBSA-N 2 2 484.601 -0.119 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C2 ZINC001159529377 1069353907 /nfs/dbraw/zinc/35/39/07/1069353907.db2.gz JNFJYEMGODVKPT-SFTDATJTSA-N 2 2 484.601 -0.119 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)C2 ZINC001159529513 1069354283 /nfs/dbraw/zinc/35/42/83/1069354283.db2.gz LDMITOWONWRQKH-MOPGFXCFSA-N 2 2 484.605 -0.263 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1Cn3cnnc3C13CC[NH2+]CC3)C2 ZINC001159529675 1069354115 /nfs/dbraw/zinc/35/41/15/1069354115.db2.gz LDMITOWONWRQKH-OALUTQOASA-N 2 2 484.605 -0.263 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)C2 ZINC001159529677 1069354145 /nfs/dbraw/zinc/35/41/45/1069354145.db2.gz LDMITOWONWRQKH-RBUKOAKNSA-N 2 2 484.605 -0.263 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1Cn3cnnc3C13CC[NH2+]CC3)C2 ZINC001159529680 1069354177 /nfs/dbraw/zinc/35/41/77/1069354177.db2.gz LDMITOWONWRQKH-RTBURBONSA-N 2 2 484.605 -0.263 20 0 JBADLP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001159529995 1069354318 /nfs/dbraw/zinc/35/43/18/1069354318.db2.gz NEGBLHBCNXQRDL-MOPGFXCFSA-N 2 2 450.584 -0.172 20 0 JBADLP CC(=O)NCCCC[C@H]([NH3+])C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001159529996 1069354217 /nfs/dbraw/zinc/35/42/17/1069354217.db2.gz NEGBLHBCNXQRDL-OALUTQOASA-N 2 2 450.584 -0.172 20 0 JBADLP CC(=O)NCSC[C@H]([NH3+])C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001159530140 1069353976 /nfs/dbraw/zinc/35/39/76/1069353976.db2.gz RGIOGGJSKQXTPM-IRXDYDNUSA-N 2 2 454.597 -0.651 20 0 JBADLP CC(=O)NCSC[C@H]([NH3+])C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001159530141 1069354371 /nfs/dbraw/zinc/35/43/71/1069354371.db2.gz RGIOGGJSKQXTPM-SJORKVTESA-N 2 2 454.597 -0.651 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001159530233 1069354087 /nfs/dbraw/zinc/35/40/87/1069354087.db2.gz SUXHWJWGRVIQAV-RTWAWAEBSA-N 2 2 484.601 -0.119 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)CNC(=O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC001159530234 1069353939 /nfs/dbraw/zinc/35/39/39/1069353939.db2.gz SUXHWJWGRVIQAV-SFTDATJTSA-N 2 2 484.601 -0.119 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001159530271 1069354006 /nfs/dbraw/zinc/35/40/06/1069354006.db2.gz UKRSMAZEMGJQFU-MSOLQXFVSA-N 2 2 480.610 -0.547 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C)C2 ZINC001159530272 1069353821 /nfs/dbraw/zinc/35/38/21/1069353821.db2.gz UKRSMAZEMGJQFU-ROUUACIJSA-N 2 2 480.610 -0.547 20 0 JBADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)COC1(C)C ZINC001159530404 1069353851 /nfs/dbraw/zinc/35/38/51/1069353851.db2.gz VXNNSSLCVULFMR-LNLFQRSKSA-N 2 2 478.594 -0.495 20 0 JBADLP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)COC1(C)C ZINC001159530407 1069354030 /nfs/dbraw/zinc/35/40/30/1069354030.db2.gz VXNNSSLCVULFMR-SCTDSRPQSA-N 2 2 478.594 -0.495 20 0 JBADLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001159530410 1069353774 /nfs/dbraw/zinc/35/37/74/1069353774.db2.gz VYLWOJRMPLAJQZ-MOPGFXCFSA-N 2 2 450.584 -0.172 20 0 JBADLP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001159530412 1069354429 /nfs/dbraw/zinc/35/44/29/1069354429.db2.gz VYLWOJRMPLAJQZ-OALUTQOASA-N 2 2 450.584 -0.172 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159530711 1069354398 /nfs/dbraw/zinc/35/43/98/1069354398.db2.gz XCPLKHNQUADDKV-MOPGFXCFSA-N 2 2 495.646 -0.391 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159530712 1069354257 /nfs/dbraw/zinc/35/42/57/1069354257.db2.gz XCPLKHNQUADDKV-OALUTQOASA-N 2 2 495.646 -0.391 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159530713 1069354704 /nfs/dbraw/zinc/35/47/04/1069354704.db2.gz XCPLKHNQUADDKV-RBUKOAKNSA-N 2 2 495.646 -0.391 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[NH2+]CC13CCS(=O)(=O)CC3)C2 ZINC001159530714 1069354997 /nfs/dbraw/zinc/35/49/97/1069354997.db2.gz XCPLKHNQUADDKV-RTBURBONSA-N 2 2 495.646 -0.391 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530732 1069354846 /nfs/dbraw/zinc/35/48/46/1069354846.db2.gz XOZWAEZILQLAQO-CTNGQTDRSA-N 3 2 476.622 -0.353 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530732 1069354831 /nfs/dbraw/zinc/35/48/31/1069354831.db2.gz XOZWAEZILQLAQO-CTNGQTDRSA-N 3 2 476.622 -0.353 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530733 1069355313 /nfs/dbraw/zinc/35/53/13/1069355313.db2.gz XOZWAEZILQLAQO-FPOVZHCZSA-N 3 2 476.622 -0.353 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530733 1069355303 /nfs/dbraw/zinc/35/53/03/1069355303.db2.gz XOZWAEZILQLAQO-FPOVZHCZSA-N 3 2 476.622 -0.353 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530734 1069355180 /nfs/dbraw/zinc/35/51/80/1069355180.db2.gz XOZWAEZILQLAQO-PZJWPPBQSA-N 3 2 476.622 -0.353 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530734 1069355166 /nfs/dbraw/zinc/35/51/66/1069355166.db2.gz XOZWAEZILQLAQO-PZJWPPBQSA-N 3 2 476.622 -0.353 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[N@@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530735 1069354924 /nfs/dbraw/zinc/35/49/24/1069354924.db2.gz XOZWAEZILQLAQO-TZIWHRDSSA-N 3 2 476.622 -0.353 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[N@H+](C)CC3(CC[NH2+]CC3)O1)C2 ZINC001159530735 1069354904 /nfs/dbraw/zinc/35/49/04/1069354904.db2.gz XOZWAEZILQLAQO-TZIWHRDSSA-N 3 2 476.622 -0.353 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001159530756 1069354730 /nfs/dbraw/zinc/35/47/30/1069354730.db2.gz YBHOKUCVRDIGDV-MSOLQXFVSA-N 2 2 460.579 -0.690 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001159530757 1069355374 /nfs/dbraw/zinc/35/53/74/1069355374.db2.gz YBHOKUCVRDIGDV-QZTJIDSGSA-N 2 2 460.579 -0.690 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001159530758 1069354672 /nfs/dbraw/zinc/35/46/72/1069354672.db2.gz YBHOKUCVRDIGDV-ROUUACIJSA-N 2 2 460.579 -0.690 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1CNC(=O)C13CC[NH2+]CC3)C2 ZINC001159530759 1069355027 /nfs/dbraw/zinc/35/50/27/1069355027.db2.gz YBHOKUCVRDIGDV-ZWKOTPCHSA-N 2 2 460.579 -0.690 20 0 JBADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001159530770 1069354963 /nfs/dbraw/zinc/35/49/63/1069354963.db2.gz YDDLUPIRDBDQKE-MSOLQXFVSA-N 2 2 450.584 -0.316 20 0 JBADLP CC(C)C[C@H](NC(=O)C[NH3+])C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001159530771 1069355240 /nfs/dbraw/zinc/35/52/40/1069355240.db2.gz YDDLUPIRDBDQKE-ROUUACIJSA-N 2 2 450.584 -0.316 20 0 JBADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159535604 1069355960 /nfs/dbraw/zinc/35/59/60/1069355960.db2.gz XASGEZJFKSHERW-AQCRLBJHSA-N 2 2 459.572 -0.084 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3Cn4ccnc4C34CC[NH2+]CC4)CC2)C1=O ZINC001159607618 1069358632 /nfs/dbraw/zinc/35/86/32/1069358632.db2.gz CEMVIHCJRVWRJD-IBGZPJMESA-N 3 2 457.623 -0.169 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3Cn4ccnc4C34CC[NH2+]CC4)CC2)C1=O ZINC001159607618 1069358615 /nfs/dbraw/zinc/35/86/15/1069358615.db2.gz CEMVIHCJRVWRJD-IBGZPJMESA-N 3 2 457.623 -0.169 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3Cn4ccnc4C34CC[NH2+]CC4)CC2)C1=O ZINC001159607619 1069358367 /nfs/dbraw/zinc/35/83/67/1069358367.db2.gz CEMVIHCJRVWRJD-LJQANCHMSA-N 3 2 457.623 -0.169 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3Cn4ccnc4C34CC[NH2+]CC4)CC2)C1=O ZINC001159607619 1069358354 /nfs/dbraw/zinc/35/83/54/1069358354.db2.gz CEMVIHCJRVWRJD-LJQANCHMSA-N 3 2 457.623 -0.169 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[NH2+]C[C@]34c3ccccc3NC4=O)CC2)C1=O ZINC001159608521 1069358701 /nfs/dbraw/zinc/35/87/01/1069358701.db2.gz ISDHYNCEMXKGPJ-CLOONOSVSA-N 3 2 468.602 -0.207 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[NH2+]C[C@]34c3ccccc3NC4=O)CC2)C1=O ZINC001159608521 1069358685 /nfs/dbraw/zinc/35/86/85/1069358685.db2.gz ISDHYNCEMXKGPJ-CLOONOSVSA-N 3 2 468.602 -0.207 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[NH2+]C[C@]34c3ccccc3NC4=O)CC2)C1=O ZINC001159608522 1069358583 /nfs/dbraw/zinc/35/85/83/1069358583.db2.gz ISDHYNCEMXKGPJ-DFBJGRDBSA-N 3 2 468.602 -0.207 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[NH2+]C[C@]34c3ccccc3NC4=O)CC2)C1=O ZINC001159608522 1069358568 /nfs/dbraw/zinc/35/85/68/1069358568.db2.gz ISDHYNCEMXKGPJ-DFBJGRDBSA-N 3 2 468.602 -0.207 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[NH2+]C[C@@]34c3ccccc3NC4=O)CC2)C1=O ZINC001159608523 1069358407 /nfs/dbraw/zinc/35/84/07/1069358407.db2.gz ISDHYNCEMXKGPJ-KBMIEXCESA-N 3 2 468.602 -0.207 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[NH2+]C[C@@]34c3ccccc3NC4=O)CC2)C1=O ZINC001159608523 1069358393 /nfs/dbraw/zinc/35/83/93/1069358393.db2.gz ISDHYNCEMXKGPJ-KBMIEXCESA-N 3 2 468.602 -0.207 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[NH2+]C[C@@]34c3ccccc3NC4=O)CC2)C1=O ZINC001159608524 1069358260 /nfs/dbraw/zinc/35/82/60/1069358260.db2.gz ISDHYNCEMXKGPJ-UQBPGWFLSA-N 3 2 468.602 -0.207 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[NH2+]C[C@@]34c3ccccc3NC4=O)CC2)C1=O ZINC001159608524 1069358246 /nfs/dbraw/zinc/35/82/46/1069358246.db2.gz ISDHYNCEMXKGPJ-UQBPGWFLSA-N 3 2 468.602 -0.207 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[NH3+])CC2)C1=O ZINC001159608762 1069358310 /nfs/dbraw/zinc/35/83/10/1069358310.db2.gz AFIDETYDWAZLRN-FQEVSTJZSA-N 3 2 458.607 -0.631 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[NH3+])CC2)C1=O ZINC001159608762 1069358299 /nfs/dbraw/zinc/35/82/99/1069358299.db2.gz AFIDETYDWAZLRN-FQEVSTJZSA-N 3 2 458.607 -0.631 20 0 JBADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)[C@@H]3C[N@@H+](C)CC4(CC[NH2+]CC4)O3)CC2)C1=O ZINC001159608988 1069359515 /nfs/dbraw/zinc/35/95/15/1069359515.db2.gz KNPRQQDVCJRSTR-IBGZPJMESA-N 4 2 450.628 -0.864 20 0 JBADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)[C@@H]3C[N@H+](C)CC4(CC[NH2+]CC4)O3)CC2)C1=O ZINC001159608988 1069359508 /nfs/dbraw/zinc/35/95/08/1069359508.db2.gz KNPRQQDVCJRSTR-IBGZPJMESA-N 4 2 450.628 -0.864 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[NH+](C)CC4(CC[NH2+]CC4)O3)CC2)C1=O ZINC001159608988 1069359499 /nfs/dbraw/zinc/35/94/99/1069359499.db2.gz KNPRQQDVCJRSTR-IBGZPJMESA-N 4 2 450.628 -0.864 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[NH+](C)CC4(CC[NH2+]CC4)O3)CC2)C1=O ZINC001159608988 1069359488 /nfs/dbraw/zinc/35/94/88/1069359488.db2.gz KNPRQQDVCJRSTR-IBGZPJMESA-N 4 2 450.628 -0.864 20 0 JBADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)[C@H]3C[N@@H+](C)CC4(CC[NH2+]CC4)O3)CC2)C1=O ZINC001159608989 1069359184 /nfs/dbraw/zinc/35/91/84/1069359184.db2.gz KNPRQQDVCJRSTR-LJQANCHMSA-N 4 2 450.628 -0.864 20 0 JBADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)[C@H]3C[N@H+](C)CC4(CC[NH2+]CC4)O3)CC2)C1=O ZINC001159608989 1069359170 /nfs/dbraw/zinc/35/91/70/1069359170.db2.gz KNPRQQDVCJRSTR-LJQANCHMSA-N 4 2 450.628 -0.864 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[NH+](C)CC4(CC[NH2+]CC4)O3)CC2)C1=O ZINC001159608989 1069359157 /nfs/dbraw/zinc/35/91/57/1069359157.db2.gz KNPRQQDVCJRSTR-LJQANCHMSA-N 4 2 450.628 -0.864 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[NH+](C)CC4(CC[NH2+]CC4)O3)CC2)C1=O ZINC001159608989 1069359141 /nfs/dbraw/zinc/35/91/41/1069359141.db2.gz KNPRQQDVCJRSTR-LJQANCHMSA-N 4 2 450.628 -0.864 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc4c(c3)[C@@H]3C[NH2+]C[C@H]3NC4=O)CC2)C1=O ZINC001159609312 1069359772 /nfs/dbraw/zinc/35/97/72/1069359772.db2.gz HYFUYUOELRUHRW-LEWJYISDSA-N 3 2 468.602 -0.204 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc4c(c3)[C@@H]3C[NH2+]C[C@H]3NC4=O)CC2)C1=O ZINC001159609312 1069359764 /nfs/dbraw/zinc/35/97/64/1069359764.db2.gz HYFUYUOELRUHRW-LEWJYISDSA-N 3 2 468.602 -0.204 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc4c(c3)[C@H]3C[NH2+]C[C@H]3NC4=O)CC2)C1=O ZINC001159609314 1069359236 /nfs/dbraw/zinc/35/92/36/1069359236.db2.gz HYFUYUOELRUHRW-NHCUHLMSSA-N 3 2 468.602 -0.204 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc4c(c3)[C@H]3C[NH2+]C[C@H]3NC4=O)CC2)C1=O ZINC001159609314 1069359224 /nfs/dbraw/zinc/35/92/24/1069359224.db2.gz HYFUYUOELRUHRW-NHCUHLMSSA-N 3 2 468.602 -0.204 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc4c(c3)[C@H]3C[NH2+]C[C@@H]3NC4=O)CC2)C1=O ZINC001159609316 1069359611 /nfs/dbraw/zinc/35/96/11/1069359611.db2.gz HYFUYUOELRUHRW-RTWAWAEBSA-N 3 2 468.602 -0.204 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc4c(c3)[C@H]3C[NH2+]C[C@@H]3NC4=O)CC2)C1=O ZINC001159609316 1069359600 /nfs/dbraw/zinc/35/96/00/1069359600.db2.gz HYFUYUOELRUHRW-RTWAWAEBSA-N 3 2 468.602 -0.204 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3ccc4c(c3)[C@@H]3C[NH2+]C[C@@H]3NC4=O)CC2)C1=O ZINC001159609318 1069359725 /nfs/dbraw/zinc/35/97/25/1069359725.db2.gz HYFUYUOELRUHRW-SFTDATJTSA-N 3 2 468.602 -0.204 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3ccc4c(c3)[C@@H]3C[NH2+]C[C@@H]3NC4=O)CC2)C1=O ZINC001159609318 1069359707 /nfs/dbraw/zinc/35/97/07/1069359707.db2.gz HYFUYUOELRUHRW-SFTDATJTSA-N 3 2 468.602 -0.204 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnn4c3nccc4[C@@H]3C[NH2+]CCO3)CC2)C1=O ZINC001159609529 1069358942 /nfs/dbraw/zinc/35/89/42/1069358942.db2.gz IFAMCCHXIIZELV-FQEVSTJZSA-N 3 2 484.605 -0.299 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnn4c3nccc4[C@@H]3C[NH2+]CCO3)CC2)C1=O ZINC001159609529 1069358927 /nfs/dbraw/zinc/35/89/27/1069358927.db2.gz IFAMCCHXIIZELV-FQEVSTJZSA-N 3 2 484.605 -0.299 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnn4c3nccc4[C@H]3C[NH2+]CCO3)CC2)C1=O ZINC001159609534 1069359414 /nfs/dbraw/zinc/35/94/14/1069359414.db2.gz IFAMCCHXIIZELV-HXUWFJFHSA-N 3 2 484.605 -0.299 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnn4c3nccc4[C@H]3C[NH2+]CCO3)CC2)C1=O ZINC001159609534 1069359402 /nfs/dbraw/zinc/35/94/02/1069359402.db2.gz IFAMCCHXIIZELV-HXUWFJFHSA-N 3 2 484.605 -0.299 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)CC2)C1=O ZINC001159609626 1069359453 /nfs/dbraw/zinc/35/94/53/1069359453.db2.gz OEEQYJXLMZSCET-GOSISDBHSA-N 3 2 469.652 -0.902 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[NH2+]CC34CCS(=O)(=O)CC4)CC2)C1=O ZINC001159609626 1069359441 /nfs/dbraw/zinc/35/94/41/1069359441.db2.gz OEEQYJXLMZSCET-GOSISDBHSA-N 3 2 469.652 -0.902 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)CC2)C1=O ZINC001159609631 1069359830 /nfs/dbraw/zinc/35/98/30/1069359830.db2.gz OEEQYJXLMZSCET-SFHVURJKSA-N 3 2 469.652 -0.902 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[NH2+]CC34CCS(=O)(=O)CC4)CC2)C1=O ZINC001159609631 1069359814 /nfs/dbraw/zinc/35/98/14/1069359814.db2.gz OEEQYJXLMZSCET-SFHVURJKSA-N 3 2 469.652 -0.902 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)C1=O ZINC001159610129 1069359300 /nfs/dbraw/zinc/35/93/00/1069359300.db2.gz MIGBIWBDPYYMGX-FQEVSTJZSA-N 3 2 458.607 -0.631 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CNC(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)C1=O ZINC001159610129 1069359286 /nfs/dbraw/zinc/35/92/86/1069359286.db2.gz MIGBIWBDPYYMGX-FQEVSTJZSA-N 3 2 458.607 -0.631 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]([NH3+])C3CCC4(CC3)OCCO4)CC2)C1=O ZINC001159610134 1069359071 /nfs/dbraw/zinc/35/90/71/1069359071.db2.gz MJGGFOUNXWZWSB-IBGZPJMESA-N 3 2 451.612 -0.056 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]([NH3+])C3CCC4(CC3)OCCO4)CC2)C1=O ZINC001159610134 1069359059 /nfs/dbraw/zinc/35/90/59/1069359059.db2.gz MJGGFOUNXWZWSB-IBGZPJMESA-N 3 2 451.612 -0.056 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]([NH3+])C3CCC4(CC3)OCCO4)CC2)C1=O ZINC001159610139 1069358987 /nfs/dbraw/zinc/35/89/87/1069358987.db2.gz MJGGFOUNXWZWSB-LJQANCHMSA-N 3 2 451.612 -0.056 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]([NH3+])C3CCC4(CC3)OCCO4)CC2)C1=O ZINC001159610139 1069358973 /nfs/dbraw/zinc/35/89/73/1069358973.db2.gz MJGGFOUNXWZWSB-LJQANCHMSA-N 3 2 451.612 -0.056 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C[NH3+])CC2)C1=O ZINC001159610260 1069359556 /nfs/dbraw/zinc/35/95/56/1069359556.db2.gz NLMDBMZEYGMVQT-QFIPXVFZSA-N 3 2 497.644 -0.149 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C[NH3+])CC2)C1=O ZINC001159610260 1069359545 /nfs/dbraw/zinc/35/95/45/1069359545.db2.gz NLMDBMZEYGMVQT-QFIPXVFZSA-N 3 2 497.644 -0.149 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)CC2)C1=O ZINC001159610777 1069359103 /nfs/dbraw/zinc/35/91/03/1069359103.db2.gz TWPGOFRUVFUCPS-INIZCTEOSA-N 3 2 478.560 -0.141 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F)CC2)C1=O ZINC001159610777 1069359094 /nfs/dbraw/zinc/35/90/94/1069359094.db2.gz TWPGOFRUVFUCPS-INIZCTEOSA-N 3 2 478.560 -0.141 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c3cnccn3)CC2)C1=O ZINC001159610822 1069359660 /nfs/dbraw/zinc/35/96/60/1069359660.db2.gz URGLKLLLTWOOOI-SFHVURJKSA-N 3 2 474.610 -0.989 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]([NH3+])CCCNC(=O)c3cnccn3)CC2)C1=O ZINC001159610822 1069359645 /nfs/dbraw/zinc/35/96/45/1069359645.db2.gz URGLKLLLTWOOOI-SFHVURJKSA-N 3 2 474.610 -0.989 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)C1=O ZINC001159610891 1069359026 /nfs/dbraw/zinc/35/90/26/1069359026.db2.gz ULCUSCPPPIJWRZ-PMACEKPBSA-N 4 2 479.670 -0.870 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)C1=O ZINC001159610891 1069359013 /nfs/dbraw/zinc/35/90/13/1069359013.db2.gz ULCUSCPPPIJWRZ-PMACEKPBSA-N 4 2 479.670 -0.870 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])COC(C)(C)C)CC2)C1=O ZINC001159611127 1069360072 /nfs/dbraw/zinc/36/00/72/1069360072.db2.gz WTQLULKBNQMPLH-PMACEKPBSA-N 3 2 494.681 -0.183 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CCCN3C(=O)[C@@H]([NH3+])COC(C)(C)C)CC2)C1=O ZINC001159611127 1069360058 /nfs/dbraw/zinc/36/00/58/1069360058.db2.gz WTQLULKBNQMPLH-PMACEKPBSA-N 3 2 494.681 -0.183 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3Cn4cnnc4C34CC[NH2+]CC4)CC2)C1=O ZINC001159611618 1069360280 /nfs/dbraw/zinc/36/02/80/1069360280.db2.gz YXFUJJAWOWDVCG-GOSISDBHSA-N 3 2 458.611 -0.774 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3Cn4cnnc4C34CC[NH2+]CC4)CC2)C1=O ZINC001159611618 1069360273 /nfs/dbraw/zinc/36/02/73/1069360273.db2.gz YXFUJJAWOWDVCG-GOSISDBHSA-N 3 2 458.611 -0.774 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)CC2)C1=O ZINC001159611619 1069360173 /nfs/dbraw/zinc/36/01/73/1069360173.db2.gz YXFUJJAWOWDVCG-SFHVURJKSA-N 3 2 458.611 -0.774 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3Cn4cnnc4C34CC[NH2+]CC4)CC2)C1=O ZINC001159611619 1069360162 /nfs/dbraw/zinc/36/01/62/1069360162.db2.gz YXFUJJAWOWDVCG-SFHVURJKSA-N 3 2 458.611 -0.774 20 0 JBADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159633349 1069361527 /nfs/dbraw/zinc/36/15/27/1069361527.db2.gz JRJDSQZIJKDRKF-OALUTQOASA-N 3 2 470.578 -0.332 20 0 JBADLP O=C([C@@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159634344 1069361705 /nfs/dbraw/zinc/36/17/05/1069361705.db2.gz BBYVSZVZBCQNSY-KRWDZBQOSA-N 2 2 460.560 -0.365 20 0 JBADLP O=C([C@H]1C[NH2+]CC12CCS(=O)(=O)CC2)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159634346 1069361306 /nfs/dbraw/zinc/36/13/06/1069361306.db2.gz BBYVSZVZBCQNSY-QGZVFWFLSA-N 2 2 460.560 -0.365 20 0 JBADLP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159635136 1069361338 /nfs/dbraw/zinc/36/13/38/1069361338.db2.gz HZWSVOAHHWLOSC-KRWDZBQOSA-N 2 2 465.518 -0.452 20 0 JBADLP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159637086 1069361651 /nfs/dbraw/zinc/36/16/51/1069361651.db2.gz WOTCGELUVIAJJD-INIZCTEOSA-N 2 2 450.507 -0.842 20 0 JBADLP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159637089 1069361437 /nfs/dbraw/zinc/36/14/37/1069361437.db2.gz WOTCGELUVIAJJD-MRXNPFEDSA-N 2 2 450.507 -0.842 20 0 JBADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001159758478 1069367028 /nfs/dbraw/zinc/36/70/28/1069367028.db2.gz ONFJOWHSOFLZLU-CMCWBKRRSA-N 2 2 478.638 -0.772 20 0 JBADLP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001159990016 1069374900 /nfs/dbraw/zinc/37/49/00/1069374900.db2.gz FFGQQJRJZHZPHE-IBGZPJMESA-N 2 2 464.574 -0.083 20 0 JBADLP O=C([C@@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001159990016 1069374893 /nfs/dbraw/zinc/37/48/93/1069374893.db2.gz FFGQQJRJZHZPHE-IBGZPJMESA-N 2 2 464.574 -0.083 20 0 JBADLP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001159990017 1069374993 /nfs/dbraw/zinc/37/49/93/1069374993.db2.gz FFGQQJRJZHZPHE-LJQANCHMSA-N 2 2 464.574 -0.083 20 0 JBADLP O=C([C@H]1Cn2nnnc2C12CC[NH2+]CC2)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001159990017 1069374988 /nfs/dbraw/zinc/37/49/88/1069374988.db2.gz FFGQQJRJZHZPHE-LJQANCHMSA-N 2 2 464.574 -0.083 20 0 JBADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1)C(N)=O ZINC001159997901 1069375614 /nfs/dbraw/zinc/37/56/14/1069375614.db2.gz BXAPNNNGHBMMMS-FUHWJXTLSA-N 2 2 458.563 -0.923 20 0 JBADLP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1)C(N)=O ZINC001159997901 1069375605 /nfs/dbraw/zinc/37/56/05/1069375605.db2.gz BXAPNNNGHBMMMS-FUHWJXTLSA-N 2 2 458.563 -0.923 20 0 JBADLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001160065262 1069376858 /nfs/dbraw/zinc/37/68/58/1069376858.db2.gz HLRXARGQTXEYTD-PMACEKPBSA-N 2 2 479.541 -0.333 20 0 JBADLP [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087324 1069378490 /nfs/dbraw/zinc/37/84/90/1069378490.db2.gz SVNVNCBCUVRKKG-JWUVWSEFSA-N 2 2 465.514 -0.253 20 0 JBADLP [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4c3C[N@H+](Cc3ccccc3)CC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087324 1069378486 /nfs/dbraw/zinc/37/84/86/1069378486.db2.gz SVNVNCBCUVRKKG-JWUVWSEFSA-N 2 2 465.514 -0.253 20 0 JBADLP [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088367 1069379149 /nfs/dbraw/zinc/37/91/49/1069379149.db2.gz VDYWJQYZZAKQQT-JWUVWSEFSA-N 2 2 465.514 -0.253 20 0 JBADLP [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4c3CC[N@H+](Cc3ccccc3)C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088367 1069379140 /nfs/dbraw/zinc/37/91/40/1069379140.db2.gz VDYWJQYZZAKQQT-JWUVWSEFSA-N 2 2 465.514 -0.253 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2)C(=O)CF ZINC001160155618 1069382539 /nfs/dbraw/zinc/38/25/39/1069382539.db2.gz KDXBAEKFPGJJPW-ODKKXURNSA-N 2 2 483.585 -0.791 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2)C(=O)CF ZINC001160155618 1069382533 /nfs/dbraw/zinc/38/25/33/1069382533.db2.gz KDXBAEKFPGJJPW-ODKKXURNSA-N 2 2 483.585 -0.791 20 0 JBADLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[C@@H]3C2)cs1 ZINC001160335128 1069386672 /nfs/dbraw/zinc/38/66/72/1069386672.db2.gz KJXCRJXNIIUGOJ-JSQNDZKTSA-N 2 2 452.581 -0.792 20 0 JBADLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[C@@H]3C2)cs1 ZINC001160335128 1069386655 /nfs/dbraw/zinc/38/66/55/1069386655.db2.gz KJXCRJXNIIUGOJ-JSQNDZKTSA-N 2 2 452.581 -0.792 20 0 JBADLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC[C@@H]3C2)cs1 ZINC001160335380 1069386866 /nfs/dbraw/zinc/38/68/66/1069386866.db2.gz NLINBCAMFDDFKH-PAYONLEZSA-N 2 2 466.608 -0.402 20 0 JBADLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)CC[C@@H]3C2)cs1 ZINC001160335380 1069386858 /nfs/dbraw/zinc/38/68/58/1069386858.db2.gz NLINBCAMFDDFKH-PAYONLEZSA-N 2 2 466.608 -0.402 20 0 JBADLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)C[NH3+])CC[C@@H]3C2)cs1 ZINC001160335812 1069387002 /nfs/dbraw/zinc/38/70/02/1069387002.db2.gz UOVNUDFZCOXXRD-MFHCWRBVSA-N 2 2 492.646 -0.045 20 0 JBADLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)C[NH3+])CC[C@@H]3C2)cs1 ZINC001160335812 1069386999 /nfs/dbraw/zinc/38/69/99/1069386999.db2.gz UOVNUDFZCOXXRD-MFHCWRBVSA-N 2 2 492.646 -0.045 20 0 JBADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001160380311 1069389517 /nfs/dbraw/zinc/38/95/17/1069389517.db2.gz CSBAQFCBZRYTQF-OALUTQOASA-N 2 2 473.578 -0.397 20 0 JBADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C2 ZINC001160380311 1069389506 /nfs/dbraw/zinc/38/95/06/1069389506.db2.gz CSBAQFCBZRYTQF-OALUTQOASA-N 2 2 473.578 -0.397 20 0 JBADLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001160461229 1069394431 /nfs/dbraw/zinc/39/44/31/1069394431.db2.gz LDAFYMSLHHXWFH-VXKWHMMOSA-N 2 2 456.543 -0.038 20 0 JBADLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160566666 1069396741 /nfs/dbraw/zinc/39/67/41/1069396741.db2.gz WHMJESKRMXIKKM-SFTDATJTSA-N 2 2 466.542 -0.040 20 0 JBADLP COC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)CC2)cc1 ZINC001160568967 1069397170 /nfs/dbraw/zinc/39/71/70/1069397170.db2.gz KSZQEOYVZRGMES-VXKWHMMOSA-N 2 2 484.553 -0.130 20 0 JBADLP COC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)C[NH3+])CC2)cc1 ZINC001160568979 1069397203 /nfs/dbraw/zinc/39/72/03/1069397203.db2.gz LBRLXQXJQPORAZ-LPHOPBHVSA-N 2 2 459.547 -0.428 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC(n2cc[nH+]c2)CC1)C(=O)CF ZINC001160725627 1069401621 /nfs/dbraw/zinc/40/16/21/1069401621.db2.gz DRMRQQMWUNMGEW-QOKNQOGYSA-N 2 2 452.531 -0.052 20 0 JBADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160837560 1069404752 /nfs/dbraw/zinc/40/47/52/1069404752.db2.gz BNUVWNHTYVJWFN-IRXDYDNUSA-N 2 2 458.567 -0.820 20 0 JBADLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160837907 1069404877 /nfs/dbraw/zinc/40/48/77/1069404877.db2.gz FILNCYKPQBRGQS-PMACEKPBSA-N 2 2 483.573 -0.522 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]CC[C@H]1O)N1CCC(F)(F)C1 ZINC001160991333 1069409945 /nfs/dbraw/zinc/40/99/45/1069409945.db2.gz BKTHQGHRTHZNQL-CADBVGFASA-N 2 2 493.559 -0.594 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]CC[C@@H]1O)N1CCC(F)(F)C1 ZINC001160991336 1069410002 /nfs/dbraw/zinc/41/00/02/1069410002.db2.gz BKTHQGHRTHZNQL-RDGPPVDQSA-N 2 2 493.559 -0.594 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]CC[C@@H]1O)N1CCC(F)(F)C1 ZINC001160991339 1069409922 /nfs/dbraw/zinc/40/99/22/1069409922.db2.gz BKTHQGHRTHZNQL-VJANTYMQSA-N 2 2 493.559 -0.594 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]CC[C@H]1O)N1CCC(F)(F)C1 ZINC001160991340 1069409900 /nfs/dbraw/zinc/40/99/00/1069409900.db2.gz BKTHQGHRTHZNQL-ZSYWTGECSA-N 2 2 493.559 -0.594 20 0 JBADLP CC(C)(O)[C@H]([NH3+])C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160991456 1069410637 /nfs/dbraw/zinc/41/06/37/1069410637.db2.gz DNAYBCZZEGISPL-YESZJQIVSA-N 2 2 481.548 -0.466 20 0 JBADLP O=C([C@@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160991488 1069410440 /nfs/dbraw/zinc/41/04/40/1069410440.db2.gz DYATXIQZPURWQQ-OYSTVDSJSA-N 2 2 475.544 -0.099 20 0 JBADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160991494 1069410536 /nfs/dbraw/zinc/41/05/36/1069410536.db2.gz DYATXIQZPURWQQ-QXCZDIPSSA-N 2 2 475.544 -0.099 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]C[C@H](O)C1)N1CCC(F)(F)C1 ZINC001160991906 1069410557 /nfs/dbraw/zinc/41/05/57/1069410557.db2.gz GZKHOJAVXSOCTR-HCXYKTFWSA-N 2 2 493.559 -0.594 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]C[C@H](O)C1)N1CCC(F)(F)C1 ZINC001160991912 1069410672 /nfs/dbraw/zinc/41/06/72/1069410672.db2.gz GZKHOJAVXSOCTR-OKYOBFRVSA-N 2 2 493.559 -0.594 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]C[C@@H](O)C1)N1CCC(F)(F)C1 ZINC001160991920 1069410655 /nfs/dbraw/zinc/41/06/55/1069410655.db2.gz GZKHOJAVXSOCTR-VJANTYMQSA-N 2 2 493.559 -0.594 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]C[C@@H](O)C1)N1CCC(F)(F)C1 ZINC001160991925 1069410470 /nfs/dbraw/zinc/41/04/70/1069410470.db2.gz GZKHOJAVXSOCTR-XWSJACJDSA-N 2 2 493.559 -0.594 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]CCCO1)N1CCC(F)(F)C1 ZINC001160991937 1069410736 /nfs/dbraw/zinc/41/07/36/1069410736.db2.gz HBKXRYWGNIXDSY-FHWLQOOXSA-N 2 2 493.559 -0.186 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)C1(O)CC[NH2+]CC1)N1CCC(F)(F)C1 ZINC001160992115 1069410691 /nfs/dbraw/zinc/41/06/91/1069410691.db2.gz IGBAPMVWESDILW-ROUUACIJSA-N 2 2 493.559 -0.450 20 0 JBADLP C[C@]([NH3+])(CO)C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160992638 1069410753 /nfs/dbraw/zinc/41/07/53/1069410753.db2.gz KAMMWJRAIZVKAC-FTRWYGJKSA-N 2 2 467.521 -0.855 20 0 JBADLP NC1(C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)CC[NH2+]CC1 ZINC001160992684 1069411230 /nfs/dbraw/zinc/41/12/30/1069411230.db2.gz KTTRSDRMWHXPQG-ROUUACIJSA-N 2 2 492.575 -0.483 20 0 JBADLP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160992723 1069411358 /nfs/dbraw/zinc/41/13/58/1069411358.db2.gz LAKKGBNJIMPNHQ-MLHJIOFPSA-N 2 2 479.532 -0.842 20 0 JBADLP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160992728 1069411171 /nfs/dbraw/zinc/41/11/71/1069411171.db2.gz LAKKGBNJIMPNHQ-XSLAGTTESA-N 2 2 479.532 -0.842 20 0 JBADLP C[C@@H](O)[C@H]([NH3+])C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160992750 1069411434 /nfs/dbraw/zinc/41/14/34/1069411434.db2.gz LDTZUVYLEPKNFA-QZWWFDLISA-N 2 2 467.521 -0.856 20 0 JBADLP C[NH2+][C@@H](CO)C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160992806 1069411190 /nfs/dbraw/zinc/41/11/90/1069411190.db2.gz LMLQBDCNHFQBDF-ULQDDVLXSA-N 2 2 467.521 -0.984 20 0 JBADLP [NH3+][C@H](CO)CC(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993208 1069411255 /nfs/dbraw/zinc/41/12/55/1069411255.db2.gz MTJQNCXCUYRRLU-ULQDDVLXSA-N 2 2 467.521 -0.855 20 0 JBADLP CN1CC[NH2+]C[C@H]1C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993240 1069411295 /nfs/dbraw/zinc/41/12/95/1069411295.db2.gz NFUKWZXMUZTMIO-FHWLQOOXSA-N 2 2 492.575 -0.661 20 0 JBADLP CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993241 1069411416 /nfs/dbraw/zinc/41/14/16/1069411416.db2.gz NFUKWZXMUZTMIO-GBESFXJTSA-N 2 2 492.575 -0.661 20 0 JBADLP O=C(C[C@H]1C[NH2+]CCO1)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993311 1069411325 /nfs/dbraw/zinc/41/13/25/1069411325.db2.gz OJZCGAPUMMMISI-FHWLQOOXSA-N 2 2 493.559 -0.186 20 0 JBADLP [NH3+][C@@H]1COC[C@@H]1C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993337 1069411277 /nfs/dbraw/zinc/41/12/77/1069411277.db2.gz PCWCUDVPJLCIJW-FJIDUMEYSA-N 2 2 479.532 -0.591 20 0 JBADLP N[C@@]1(C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)CC[NH2+]C1 ZINC001160993395 1069411148 /nfs/dbraw/zinc/41/11/48/1069411148.db2.gz QBSUDKOSHDYSBS-FIKGOQFSSA-N 2 2 478.548 -0.874 20 0 JBADLP N[C@]1(C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)CC[NH2+]C1 ZINC001160993401 1069411376 /nfs/dbraw/zinc/41/13/76/1069411376.db2.gz QBSUDKOSHDYSBS-XGHQBKJUSA-N 2 2 478.548 -0.874 20 0 JBADLP C[NH2+][C@H](C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1)[C@@H](C)O ZINC001160993406 1069411388 /nfs/dbraw/zinc/41/13/88/1069411388.db2.gz QDEFXJKVFZQUPH-OWSLCNJRSA-N 2 2 481.548 -0.596 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1[NH2+]CC[C@H]1O)N1CCC(F)(F)C1 ZINC001160993426 1069411123 /nfs/dbraw/zinc/41/11/23/1069411123.db2.gz QLPAPHLHJDXWRK-FJIDUMEYSA-N 2 2 479.532 -0.842 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1[NH2+]CC[C@@H]1O)N1CCC(F)(F)C1 ZINC001160993427 1069411399 /nfs/dbraw/zinc/41/13/99/1069411399.db2.gz QLPAPHLHJDXWRK-XSLAGTTESA-N 2 2 479.532 -0.842 20 0 JBADLP N[C@]1(C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)CCC[NH2+]C1 ZINC001160993433 1069412037 /nfs/dbraw/zinc/41/20/37/1069412037.db2.gz QTKYDWXYMXFTSF-NPPFBWRTSA-N 2 2 492.575 -0.483 20 0 JBADLP N[C@@]1(C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)CCC[NH2+]C1 ZINC001160993434 1069411914 /nfs/dbraw/zinc/41/19/14/1069411914.db2.gz QTKYDWXYMXFTSF-SPEDKVCISA-N 2 2 492.575 -0.483 20 0 JBADLP [NH3+]C[C@H](O)CC(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993435 1069412133 /nfs/dbraw/zinc/41/21/33/1069412133.db2.gz QYALITSNQQRNBT-BBWFWOEESA-N 2 2 467.521 -0.855 20 0 JBADLP [NH3+]C[C@@H](O)CC(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993436 1069412176 /nfs/dbraw/zinc/41/21/76/1069412176.db2.gz QYALITSNQQRNBT-ULQDDVLXSA-N 2 2 467.521 -0.855 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@@]12C[NH2+][C@@H](CO1)C2)N1CCC(F)(F)C1 ZINC001160993442 1069412115 /nfs/dbraw/zinc/41/21/15/1069412115.db2.gz RBUSHVBYNQTSSQ-BZDHPDOMSA-N 2 2 491.543 -0.433 20 0 JBADLP O=C(CN1CC[NH2+]CC1)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993460 1069412169 /nfs/dbraw/zinc/41/21/69/1069412169.db2.gz SDJLMVFOTPUSRQ-OALUTQOASA-N 2 2 492.575 -0.659 20 0 JBADLP O=C(C[C@H]1COCC[NH2+]1)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993486 1069411976 /nfs/dbraw/zinc/41/19/76/1069411976.db2.gz TZUAQOOYGZISAZ-FHWLQOOXSA-N 2 2 493.559 -0.186 20 0 JBADLP O=C(C[C@@H]1COCC[NH2+]1)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993487 1069412095 /nfs/dbraw/zinc/41/20/95/1069412095.db2.gz TZUAQOOYGZISAZ-QYZOEREBSA-N 2 2 493.559 -0.186 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1C[NH2+]CCO1)N1CCC(F)(F)C1 ZINC001160993489 1069412161 /nfs/dbraw/zinc/41/21/61/1069412161.db2.gz UCCJRVBAMSZOSS-BZSNNMDCSA-N 2 2 479.532 -0.576 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]CCO1)N1CCC(F)(F)C1 ZINC001160993490 1069412141 /nfs/dbraw/zinc/41/21/41/1069412141.db2.gz UCCJRVBAMSZOSS-OKZBNKHCSA-N 2 2 479.532 -0.576 20 0 JBADLP CO[C@@H](C[NH3+])C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993491 1069412060 /nfs/dbraw/zinc/41/20/60/1069412060.db2.gz UCDOGIZLBWQBJH-ULQDDVLXSA-N 2 2 467.521 -0.591 20 0 JBADLP [NH3+]CCC[C@H]([NH3+])C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993506 1069412013 /nfs/dbraw/zinc/41/20/13/1069412013.db2.gz UTRRZFGLMAUBDG-BZSNNMDCSA-N 3 2 480.564 -0.498 20 0 JBADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993507 1069412073 /nfs/dbraw/zinc/41/20/73/1069412073.db2.gz UTRRZFGLMAUBDG-KSZLIROESA-N 3 2 480.564 -0.498 20 0 JBADLP O=C([C@@H]1C[NH2+]C[C@@H]1O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993530 1069412050 /nfs/dbraw/zinc/41/20/50/1069412050.db2.gz VQPUKUHIIOSWRJ-MHORFTMASA-N 2 2 479.532 -0.984 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1C[NH2+]C[C@H]1O)N1CCC(F)(F)C1 ZINC001160993531 1069412182 /nfs/dbraw/zinc/41/21/82/1069412182.db2.gz VQPUKUHIIOSWRJ-XLAORIBOSA-N 2 2 479.532 -0.984 20 0 JBADLP O=C([C@H]1C[NH2+]C[C@@H]1O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993532 1069412108 /nfs/dbraw/zinc/41/21/08/1069412108.db2.gz VQPUKUHIIOSWRJ-XSLAGTTESA-N 2 2 479.532 -0.984 20 0 JBADLP O=C([C@@H]1C[NH2+]C[C@H]1O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993533 1069411942 /nfs/dbraw/zinc/41/19/42/1069411942.db2.gz VQPUKUHIIOSWRJ-XWTMOSNGSA-N 2 2 479.532 -0.984 20 0 JBADLP [NH3+][C@@H]1CC[C@@H](C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)OC1 ZINC001160993535 1069412088 /nfs/dbraw/zinc/41/20/88/1069412088.db2.gz VSGBRKDBBPFQCS-XWSJACJDSA-N 2 2 493.559 -0.058 20 0 JBADLP O=C(CNc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)N1CC[NH+](C2CCCCC2)CC1 ZINC001161054963 1069413584 /nfs/dbraw/zinc/41/35/84/1069413584.db2.gz KMFHCRJFOYKYDY-UHFFFAOYSA-N 2 2 474.610 -0.145 20 0 JBADLP O=C(CNc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)N1CC[NH+](C2CCCCC2)CC1 ZINC001161054963 1069413578 /nfs/dbraw/zinc/41/35/78/1069413578.db2.gz KMFHCRJFOYKYDY-UHFFFAOYSA-N 2 2 474.610 -0.145 20 0 JBADLP CCn1nnc2c1[C@@H](C(=O)N1CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC1)C[NH2+]C2 ZINC001161117799 1069414746 /nfs/dbraw/zinc/41/47/46/1069414746.db2.gz RWVKMOKTQXXJBY-JYJNAYRXSA-N 2 2 466.537 -0.773 20 0 JBADLP CCn1nnc2c1[C@H](C(=O)N1CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC1)C[NH2+]C2 ZINC001161117800 1069414918 /nfs/dbraw/zinc/41/49/18/1069414918.db2.gz RWVKMOKTQXXJBY-XHSDSOJGSA-N 2 2 466.537 -0.773 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117950 1069414831 /nfs/dbraw/zinc/41/48/31/1069414831.db2.gz YBNLBZMFTQKTTM-OKZBNKHCSA-N 2 2 467.521 -0.801 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161117950 1069414828 /nfs/dbraw/zinc/41/48/28/1069414828.db2.gz YBNLBZMFTQKTTM-OKZBNKHCSA-N 2 2 467.521 -0.801 20 0 JBADLP COC(=O)[C@H]1C[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC[NH2+]1 ZINC001161118970 1069415306 /nfs/dbraw/zinc/41/53/06/1069415306.db2.gz KGSNKDKARPBSNE-LTIDMASMSA-N 2 2 457.522 -0.730 20 0 JBADLP COC(=O)[C@H]1C[C@@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC[NH2+]1 ZINC001161118972 1069415521 /nfs/dbraw/zinc/41/55/21/1069415521.db2.gz KGSNKDKARPBSNE-LUKYLMHMSA-N 2 2 457.522 -0.730 20 0 JBADLP COC(=O)[C@@H]1C[C@@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC[NH2+]1 ZINC001161118973 1069415378 /nfs/dbraw/zinc/41/53/78/1069415378.db2.gz KGSNKDKARPBSNE-QAETUUGQSA-N 2 2 457.522 -0.730 20 0 JBADLP COC(=O)[C@@H]1C[C@H](C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)CC[NH2+]1 ZINC001161118975 1069415503 /nfs/dbraw/zinc/41/55/03/1069415503.db2.gz KGSNKDKARPBSNE-QZWWFDLISA-N 2 2 457.522 -0.730 20 0 JBADLP COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161145919 1069418788 /nfs/dbraw/zinc/41/87/88/1069418788.db2.gz KPTOXSXPYKIKQF-IHPCNDPISA-N 2 2 473.574 -0.283 20 0 JBADLP COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161145919 1069418781 /nfs/dbraw/zinc/41/87/81/1069418781.db2.gz KPTOXSXPYKIKQF-IHPCNDPISA-N 2 2 473.574 -0.283 20 0 JBADLP COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161145929 1069418951 /nfs/dbraw/zinc/41/89/51/1069418951.db2.gz KPTOXSXPYKIKQF-SXLOBPIMSA-N 2 2 473.574 -0.283 20 0 JBADLP COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161145929 1069418947 /nfs/dbraw/zinc/41/89/47/1069418947.db2.gz KPTOXSXPYKIKQF-SXLOBPIMSA-N 2 2 473.574 -0.283 20 0 JBADLP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)CC2)c2nonc21 ZINC001161153435 1069419500 /nfs/dbraw/zinc/41/95/00/1069419500.db2.gz HYVIPMQTVKDTEJ-AWEZNQCLSA-N 2 2 462.536 -0.575 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[NH+](CCC(C)(C)O)CC1)C(=O)CF ZINC001161174627 1069422066 /nfs/dbraw/zinc/42/20/66/1069422066.db2.gz BCOGDCWDLXUEBD-BXWFABGCSA-N 2 2 473.590 -0.807 20 0 JBADLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198743 1069422764 /nfs/dbraw/zinc/42/27/64/1069422764.db2.gz WMDCJMHNJIWNMC-GOTSBHOMSA-N 3 2 491.633 -0.710 20 0 JBADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001161237853 1069422715 /nfs/dbraw/zinc/42/27/15/1069422715.db2.gz PFQFCUKJYXDMLD-BJLQDIEVSA-N 2 2 461.563 -0.871 20 0 JBADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001161237853 1069422707 /nfs/dbraw/zinc/42/27/07/1069422707.db2.gz PFQFCUKJYXDMLD-BJLQDIEVSA-N 2 2 461.563 -0.871 20 0 JBADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001161237855 1069423517 /nfs/dbraw/zinc/42/35/17/1069423517.db2.gz PFQFCUKJYXDMLD-NSHGMRRFSA-N 2 2 461.563 -0.871 20 0 JBADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001161237855 1069423515 /nfs/dbraw/zinc/42/35/15/1069423515.db2.gz PFQFCUKJYXDMLD-NSHGMRRFSA-N 2 2 461.563 -0.871 20 0 JBADLP COc1cc(N2CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC2)cc[nH+]1 ZINC001161305910 1069424898 /nfs/dbraw/zinc/42/48/98/1069424898.db2.gz CNOLSTHDHBGCMQ-WJPUGNRLSA-N 2 2 494.568 -0.360 20 0 JBADLP NC(=O)[C@H](Cc1cn(-c2ncnc3c2C[NH2+]C3)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001163426762 1069450781 /nfs/dbraw/zinc/45/07/81/1069450781.db2.gz GBGQELXLQYYNAR-ROUUACIJSA-N 2 2 459.514 -0.171 20 0 JBADLP NC(=O)[C@H](Cc1cn(-c2ncnc3c2C[NH2+]C3)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001163426762 1069450769 /nfs/dbraw/zinc/45/07/69/1069450769.db2.gz GBGQELXLQYYNAR-ROUUACIJSA-N 2 2 459.514 -0.171 20 0 JBADLP NC(=O)[C@H](Cc1cn(-c2ncnc3c2CC[NH2+]C3)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001163428726 1069451633 /nfs/dbraw/zinc/45/16/33/1069451633.db2.gz SQKWRQUGIFFNSS-OALUTQOASA-N 2 2 473.541 -0.128 20 0 JBADLP NC(=O)[C@H](Cc1cn(-c2ncc3c(n2)C[NH2+]C3)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC001163429304 1069452535 /nfs/dbraw/zinc/45/25/35/1069452535.db2.gz ZSNSPQYBWMIPBU-ROUUACIJSA-N 2 2 459.514 -0.171 20 0 JBADLP NC(=O)[C@H](Cc1cn(-c2ncc3c(n2)C[NH2+]C3)c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC001163429304 1069452528 /nfs/dbraw/zinc/45/25/28/1069452528.db2.gz ZSNSPQYBWMIPBU-ROUUACIJSA-N 2 2 459.514 -0.171 20 0 JBADLP C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)Nc1cccc(N2CC[NH+](C)CC2)[nH+]1)C(N)=O ZINC001163432459 1069452323 /nfs/dbraw/zinc/45/23/23/1069452323.db2.gz HTWXWSSHBBEFQC-YWMUFLPLSA-N 2 2 456.547 -0.087 20 0 JBADLP C[NH+]1CCN(Cc2cc3nc(N4CCNC(=O)C45C[NH2+]C5)nc(N4CCOCC4)c3s2)CC1 ZINC001164411327 718879043 /nfs/dbraw/zinc/87/90/43/718879043.db2.gz PHIRXRYPLSJXMA-UHFFFAOYSA-N 2 2 472.619 -0.447 20 0 JBADLP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)CC2 ZINC001164682292 719703576 /nfs/dbraw/zinc/70/35/76/719703576.db2.gz CWRPAKRIDIBYOO-UHFFFAOYSA-N 2 2 460.583 -0.274 20 0 JBADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)CC2 ZINC001164682292 719703569 /nfs/dbraw/zinc/70/35/69/719703569.db2.gz CWRPAKRIDIBYOO-UHFFFAOYSA-N 2 2 460.583 -0.274 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)CC2 ZINC001164704224 719929807 /nfs/dbraw/zinc/92/98/07/719929807.db2.gz QBLNFGLHPPSASC-UHFFFAOYSA-N 2 2 488.618 -0.748 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164708970 719919164 /nfs/dbraw/zinc/91/91/64/719919164.db2.gz VULOAUUXDXSIID-UHFFFAOYSA-N 2 2 467.578 -0.400 20 0 JBADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164709206 719915439 /nfs/dbraw/zinc/91/54/39/719915439.db2.gz QMXZUKKXCOXPJY-UHFFFAOYSA-N 2 2 452.563 -0.189 20 0 JBADLP C[NH+]1CCN(c2cccc(N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)[nH+]2)CC1 ZINC001164803302 721605015 /nfs/dbraw/zinc/60/50/15/721605015.db2.gz VFODPBBNZCMMGC-GUDVDZBRSA-N 2 2 463.604 -0.068 20 0 JBADLP C[NH+]1CCN(c2cccc(N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)[nH+]2)CC1 ZINC001164803303 721604924 /nfs/dbraw/zinc/60/49/24/721604924.db2.gz VFODPBBNZCMMGC-IPMKNSEASA-N 2 2 463.604 -0.068 20 0 JBADLP C[NH+]1CCN(c2cccc(N3C[C@H]4[C@H](C3)[C@@H](C(=O)N3CCOCC3)CCS4(=O)=O)[nH+]2)CC1 ZINC001164803304 721604936 /nfs/dbraw/zinc/60/49/36/721604936.db2.gz VFODPBBNZCMMGC-OTWHNJEPSA-N 2 2 463.604 -0.068 20 0 JBADLP C[NH+]1CCN(c2cccc(N3C[C@H]4[C@H](C3)[C@H](C(=O)N3CCOCC3)CCS4(=O)=O)[nH+]2)CC1 ZINC001164803305 721605006 /nfs/dbraw/zinc/60/50/06/721605006.db2.gz VFODPBBNZCMMGC-QRVBRYPASA-N 2 2 463.604 -0.068 20 0 JBADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC2)C1 ZINC001164874414 721282080 /nfs/dbraw/zinc/28/20/80/721282080.db2.gz RBMUKZKSAXBEJN-UHFFFAOYSA-N 2 2 459.595 -0.077 20 0 JBADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc4c(c(N5CCOCC5)n3)C[NH2+]C4)CC2)C1 ZINC001164874414 721282074 /nfs/dbraw/zinc/28/20/74/721282074.db2.gz RBMUKZKSAXBEJN-UHFFFAOYSA-N 2 2 459.595 -0.077 20 0 JBADLP CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1c1cccc(N2CC[NH+](C)CC2)[nH+]1)C(=O)NCC(N)=O ZINC001165106349 1069462166 /nfs/dbraw/zinc/46/21/66/1069462166.db2.gz WZUHTIQQDBCWKN-MSOLQXFVSA-N 2 2 459.595 -0.065 20 0 JBADLP CC(C)C[C@@H](NC(=O)[C@H]1CCCN1c1cccc(N2CC[NH+](C)CC2)[nH+]1)C(=O)NCC(N)=O ZINC001165106350 1069462138 /nfs/dbraw/zinc/46/21/38/1069462138.db2.gz WZUHTIQQDBCWKN-QZTJIDSGSA-N 2 2 459.595 -0.065 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1cccc(N2CC[NH+](C)CC2)[nH+]1)C(=O)NCC(N)=O ZINC001165106351 1069462094 /nfs/dbraw/zinc/46/20/94/1069462094.db2.gz WZUHTIQQDBCWKN-ROUUACIJSA-N 2 2 459.595 -0.065 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@H]1CCCN1c1cccc(N2CC[NH+](C)CC2)[nH+]1)C(=O)NCC(N)=O ZINC001165106352 1069462074 /nfs/dbraw/zinc/46/20/74/1069462074.db2.gz WZUHTIQQDBCWKN-ZWKOTPCHSA-N 2 2 459.595 -0.065 20 0 JBADLP [NH3+][C@@H]1CN(c2nc3cc(CN4CC[NH+]([C@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C[C@@H]1O ZINC001165150936 1069462148 /nfs/dbraw/zinc/46/21/48/1069462148.db2.gz VSNFFBAYECEUEI-HQRMLTQVSA-N 2 2 489.646 -0.057 20 0 JBADLP [NH3+][C@@H]1CN(c2nc3cc(C[NH+]4CCN([C@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C[C@@H]1O ZINC001165150936 1069462145 /nfs/dbraw/zinc/46/21/45/1069462145.db2.gz VSNFFBAYECEUEI-HQRMLTQVSA-N 2 2 489.646 -0.057 20 0 JBADLP [NH3+][C@@H]1CN(c2nc3cc(CN4CC[NH+]([C@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C[C@H]1O ZINC001165150938 1069462728 /nfs/dbraw/zinc/46/27/28/1069462728.db2.gz VSNFFBAYECEUEI-ILZDJORESA-N 2 2 489.646 -0.057 20 0 JBADLP [NH3+][C@@H]1CN(c2nc3cc(C[NH+]4CCN([C@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C[C@H]1O ZINC001165150938 1069462726 /nfs/dbraw/zinc/46/27/26/1069462726.db2.gz VSNFFBAYECEUEI-ILZDJORESA-N 2 2 489.646 -0.057 20 0 JBADLP [NH3+][C@@H]1CN(c2nc3cc(CN4CC[NH+]([C@@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C[C@@H]1O ZINC001165150940 1069462778 /nfs/dbraw/zinc/46/27/78/1069462778.db2.gz VSNFFBAYECEUEI-POAQFYNOSA-N 2 2 489.646 -0.057 20 0 JBADLP [NH3+][C@@H]1CN(c2nc3cc(C[NH+]4CCN([C@@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C[C@@H]1O ZINC001165150940 1069462774 /nfs/dbraw/zinc/46/27/74/1069462774.db2.gz VSNFFBAYECEUEI-POAQFYNOSA-N 2 2 489.646 -0.057 20 0 JBADLP [NH3+][C@@H]1CN(c2nc3cc(CN4CC[NH+]([C@@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C[C@H]1O ZINC001165150943 1069462806 /nfs/dbraw/zinc/46/28/06/1069462806.db2.gz VSNFFBAYECEUEI-YVWKXTFCSA-N 2 2 489.646 -0.057 20 0 JBADLP [NH3+][C@@H]1CN(c2nc3cc(C[NH+]4CCN([C@@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C[C@H]1O ZINC001165150943 1069462801 /nfs/dbraw/zinc/46/28/01/1069462801.db2.gz VSNFFBAYECEUEI-YVWKXTFCSA-N 2 2 489.646 -0.057 20 0 JBADLP NC(=O)[C@@H]1CCCN1c1cc(N2CCN([C@@H]3C[NH2+][C@@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nc[nH+]1 ZINC001165189997 1069462720 /nfs/dbraw/zinc/46/27/20/1069462720.db2.gz HDVAPUILBZDECV-BBWFWOEESA-N 2 2 478.548 -0.349 20 0 JBADLP NC(=O)[C@@H]1CCCN1c1cc(N2CCN([C@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nc[nH+]1 ZINC001165189998 1069462833 /nfs/dbraw/zinc/46/28/33/1069462833.db2.gz HDVAPUILBZDECV-IKGGRYGDSA-N 2 2 478.548 -0.349 20 0 JBADLP NC(=O)[C@@H]1CCCN1c1cc(N2CCN([C@H]3C[NH2+][C@@H](C(=O)N4CCC(F)(F)C4)C3)CC2)nc[nH+]1 ZINC001165189999 1069462736 /nfs/dbraw/zinc/46/27/36/1069462736.db2.gz HDVAPUILBZDECV-ZACQAIPSSA-N 2 2 478.548 -0.349 20 0 JBADLP COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC(=O)NC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001165255532 1069463916 /nfs/dbraw/zinc/46/39/16/1069463916.db2.gz AHNDCEWSHLXUFJ-QAPCUYQASA-N 2 2 470.530 -0.021 20 0 JBADLP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)CC[C@@H]12 ZINC001165613173 1069468019 /nfs/dbraw/zinc/46/80/19/1069468019.db2.gz OYVKRDHHNYRNEK-OFNKIYASSA-N 2 2 492.646 -0.030 20 0 JBADLP CS(=O)(=O)c1nc2c(c(N3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)n1)CC[NH2+]CC2 ZINC001165957600 1069479075 /nfs/dbraw/zinc/47/90/75/1069479075.db2.gz GECLTHAYMGNQRE-UHFFFAOYSA-N 2 2 470.559 -0.220 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1nc(N2CCC([NH3+])CC2)cc[nH+]1)C(=O)NCC(N)=O ZINC001166896533 1069489080 /nfs/dbraw/zinc/48/90/80/1069489080.db2.gz OBSQMCOUZNZIJO-IRXDYDNUSA-N 2 2 460.583 -0.495 20 0 JBADLP [NH3+][C@H]1CN(c2nc3cc(CN4CC[NH+]([C@@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C[C@H]1O ZINC001167093415 1067641997 /nfs/dbraw/zinc/64/19/97/1067641997.db2.gz VSNFFBAYECEUEI-IMFGXOCKSA-N 2 2 489.646 -0.057 20 0 JBADLP [NH3+][C@H]1CN(c2nc3cc(C[NH+]4CCN([C@@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C[C@H]1O ZINC001167093415 1067641992 /nfs/dbraw/zinc/64/19/92/1067641992.db2.gz VSNFFBAYECEUEI-IMFGXOCKSA-N 2 2 489.646 -0.057 20 0 JBADLP [NH3+][C@H]1CN(c2nc3cc(CN4CC[NH+]([C@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C[C@H]1O ZINC001167093421 1067641916 /nfs/dbraw/zinc/64/19/16/1067641916.db2.gz VSNFFBAYECEUEI-XKGZKEIXSA-N 2 2 489.646 -0.057 20 0 JBADLP [NH3+][C@H]1CN(c2nc3cc(C[NH+]4CCN([C@H]5CCOC5)CC4)sc3c(N3CCOCC3)n2)C[C@H]1O ZINC001167093421 1067641909 /nfs/dbraw/zinc/64/19/09/1067641909.db2.gz VSNFFBAYECEUEI-XKGZKEIXSA-N 2 2 489.646 -0.057 20 0 JBADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@H]1C2 ZINC001167229989 1067649424 /nfs/dbraw/zinc/64/94/24/1067649424.db2.gz XZYWNQMHZHCHKM-SVQXRNPESA-N 2 2 459.551 -0.620 20 0 JBADLP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3nc(N4CCOCC4)nc(N4CCOCC4)[nH+]3)C[C@H]1C2 ZINC001167229989 1067649417 /nfs/dbraw/zinc/64/94/17/1067649417.db2.gz XZYWNQMHZHCHKM-SVQXRNPESA-N 2 2 459.551 -0.620 20 0 JBADLP CC(=O)OC[C@H]1O[C@@H](n2cc(NC(=[NH2+])SCC[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001167916224 1067739742 /nfs/dbraw/zinc/73/97/42/1067739742.db2.gz QGYIVILZUMDJHJ-IXYNUQLISA-N 2 2 487.491 -0.689 20 0 JBADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(I)c(-c3nn[nH]n3)c2S(N)(=O)=O)CC1 ZINC001168737233 1068417760 /nfs/dbraw/zinc/41/77/60/1068417760.db2.gz XBZPYWZJTJOJIK-UHFFFAOYSA-N 2 2 491.319 -0.287 20 0 JBADLP NS(=O)(=O)c1c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc(I)c1-c1nn[nH]n1 ZINC001169072648 1068494216 /nfs/dbraw/zinc/49/42/16/1068494216.db2.gz QXYASTYOXQHCRM-SSDOTTSWSA-N 2 2 490.287 -0.834 20 0 JBADLP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001169201279 1068496213 /nfs/dbraw/zinc/49/62/13/1068496213.db2.gz IMRPIOUVFGSSAM-IBGZPJMESA-N 2 2 461.611 -0.058 20 0 JBADLP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001169201280 1068496307 /nfs/dbraw/zinc/49/63/07/1068496307.db2.gz IMRPIOUVFGSSAM-LJQANCHMSA-N 2 2 461.611 -0.058 20 0 JBADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(-c3nn(C)c(=O)n(C)c3=O)nc2C(N)=O)[nH+]c1C ZINC001170813781 1068546695 /nfs/dbraw/zinc/54/66/95/1068546695.db2.gz MALBSWLEXLWJHA-LSDHHAIUSA-N 2 2 494.560 -0.310 20 0 JBADLP C[NH+]1CCN(c2nc3ccccc3nc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001171261999 1068593808 /nfs/dbraw/zinc/59/38/08/1068593808.db2.gz YYJKGNMIKCWJTR-QTQZEZTPSA-N 2 2 468.518 -0.906 20 0 JBADLP [NH3+][C@H]1[C@H](n2ccc(Nc3[nH+]c(N4CCOCC4)cc4ccccc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263326 1068596482 /nfs/dbraw/zinc/59/64/82/1068596482.db2.gz YTGYGMPEIXSENO-OBZYLPMUSA-N 2 2 454.487 -0.216 20 0 JBADLP COc1ccc(CN2CC[NH+](C)CC2)cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171267292 1068598895 /nfs/dbraw/zinc/59/88/95/1068598895.db2.gz WTPFNXXWNHSTLR-CWJKEVGVSA-N 2 2 460.535 -0.845 20 0 JBADLP COCCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 ZINC001172251035 1068637082 /nfs/dbraw/zinc/63/70/82/1068637082.db2.gz XQLDVALQYPLDNW-JXFKEZNVSA-N 2 2 463.579 -0.500 20 0 JBADLP CC[C@H](C)OCC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172340507 1068638034 /nfs/dbraw/zinc/63/80/34/1068638034.db2.gz QUKJVEVPYOXYRP-CAMMJAKZSA-N 3 2 467.615 -0.266 20 0 JBADLP CC[C@@H](C)OCC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172340520 1068637894 /nfs/dbraw/zinc/63/78/94/1068637894.db2.gz QUKJVEVPYOXYRP-FPAYPSAMSA-N 3 2 467.615 -0.266 20 0 JBADLP CC[C@@H](C)OCC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172340523 1068637762 /nfs/dbraw/zinc/63/77/62/1068637762.db2.gz QUKJVEVPYOXYRP-NBMJBFSESA-N 3 2 467.615 -0.266 20 0 JBADLP CC[C@H](C)OCC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172340526 1068638078 /nfs/dbraw/zinc/63/80/78/1068638078.db2.gz QUKJVEVPYOXYRP-NEPXVJNWSA-N 3 2 467.615 -0.266 20 0 JBADLP CC(C)OCC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172440890 1068637922 /nfs/dbraw/zinc/63/79/22/1068637922.db2.gz QCKMGHYLKKEDSM-NJAFHUGGSA-N 3 2 453.588 -0.656 20 0 JBADLP CC(C)OCC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172440891 1068637788 /nfs/dbraw/zinc/63/77/88/1068637788.db2.gz QCKMGHYLKKEDSM-SZMVWBNQSA-N 3 2 453.588 -0.656 20 0 JBADLP CC(C)COCC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172470557 1068637615 /nfs/dbraw/zinc/63/76/15/1068637615.db2.gz ZLRMYYAZUHPCGR-NEWSRXKRSA-N 3 2 467.615 -0.408 20 0 JBADLP CC(C)COCC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172470558 1068638023 /nfs/dbraw/zinc/63/80/23/1068638023.db2.gz ZLRMYYAZUHPCGR-WDSOQIARSA-N 3 2 467.615 -0.408 20 0 JBADLP CC(C)OC(=O)CC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172751977 1068638548 /nfs/dbraw/zinc/63/85/48/1068638548.db2.gz ZJQVTIAYYDJAGD-NJAFHUGGSA-N 3 2 481.598 -0.739 20 0 JBADLP CC(C)OC(=O)CC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001172751978 1068638639 /nfs/dbraw/zinc/63/86/39/1068638639.db2.gz ZJQVTIAYYDJAGD-SZMVWBNQSA-N 3 2 481.598 -0.739 20 0 JBADLP COC(=O)CCCC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001173448110 1068643064 /nfs/dbraw/zinc/64/30/64/1068643064.db2.gz JCXOYIAVUXZFDA-NJAFHUGGSA-N 3 2 481.598 -0.737 20 0 JBADLP COC(=O)CCCC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001173448126 1068642942 /nfs/dbraw/zinc/64/29/42/1068642942.db2.gz JCXOYIAVUXZFDA-SZMVWBNQSA-N 3 2 481.598 -0.737 20 0 JBADLP C[N@H+]1CCCn2nc(C(=O)n3cc4c(nc3=NCC3CC3)[C@H]3C[NH2+]C[C@H]3S(=O)(=O)C4)cc2C1 ZINC001175064829 1068651497 /nfs/dbraw/zinc/65/14/97/1068651497.db2.gz OYKGSJASGSZUMG-PKOBYXMFSA-N 2 2 471.587 -0.102 20 0 JBADLP C[N@@H+]1CCCn2nc(C(=O)n3cc4c(nc3=NCC3CC3)[C@H]3C[NH2+]C[C@H]3S(=O)(=O)C4)cc2C1 ZINC001175064829 1068651483 /nfs/dbraw/zinc/65/14/83/1068651483.db2.gz OYKGSJASGSZUMG-PKOBYXMFSA-N 2 2 471.587 -0.102 20 0 JBADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C3(C(N)=O)CCS(=O)(=O)CC3)CC2)cc1 ZINC001175551398 1068653887 /nfs/dbraw/zinc/65/38/87/1068653887.db2.gz KMOYCHAANDWDTF-UHFFFAOYSA-N 2 2 452.577 -0.248 20 0 JBADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C3(C(N)=O)CCS(=O)(=O)CC3)CC2)cc1 ZINC001175551398 1068653881 /nfs/dbraw/zinc/65/38/81/1068653881.db2.gz KMOYCHAANDWDTF-UHFFFAOYSA-N 2 2 452.577 -0.248 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001176357753 1068656672 /nfs/dbraw/zinc/65/66/72/1068656672.db2.gz WUAFTAISBRLTDZ-RCCFBDPRSA-N 2 2 473.559 -0.712 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001176357753 1068656666 /nfs/dbraw/zinc/65/66/66/1068656666.db2.gz WUAFTAISBRLTDZ-RCCFBDPRSA-N 2 2 473.559 -0.712 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001176384494 1068655615 /nfs/dbraw/zinc/65/56/15/1068655615.db2.gz BLPRWKCZYQVVDG-CYBMUJFWSA-N 2 2 464.508 -0.765 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001176384494 1068655612 /nfs/dbraw/zinc/65/56/12/1068655612.db2.gz BLPRWKCZYQVVDG-CYBMUJFWSA-N 2 2 464.508 -0.765 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001176385242 1068655930 /nfs/dbraw/zinc/65/59/30/1068655930.db2.gz KQOWUEXNNDCEQE-FXALTLAESA-N 3 2 468.599 -0.248 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001176385242 1068655926 /nfs/dbraw/zinc/65/59/26/1068655926.db2.gz KQOWUEXNNDCEQE-FXALTLAESA-N 3 2 468.599 -0.248 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001176385243 1068655708 /nfs/dbraw/zinc/65/57/08/1068655708.db2.gz KQOWUEXNNDCEQE-MZPGVEPJSA-N 3 2 468.599 -0.248 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001176385243 1068655702 /nfs/dbraw/zinc/65/57/02/1068655702.db2.gz KQOWUEXNNDCEQE-MZPGVEPJSA-N 3 2 468.599 -0.248 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001176385244 1068655553 /nfs/dbraw/zinc/65/55/53/1068655553.db2.gz KQOWUEXNNDCEQE-OUCQQMGCSA-N 3 2 468.599 -0.248 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001176385244 1068655546 /nfs/dbraw/zinc/65/55/46/1068655546.db2.gz KQOWUEXNNDCEQE-OUCQQMGCSA-N 3 2 468.599 -0.248 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001176385245 1068656029 /nfs/dbraw/zinc/65/60/29/1068656029.db2.gz KQOWUEXNNDCEQE-RRUHPTRMSA-N 3 2 468.599 -0.248 20 0 JBADLP CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001176385245 1068656022 /nfs/dbraw/zinc/65/60/22/1068656022.db2.gz KQOWUEXNNDCEQE-RRUHPTRMSA-N 3 2 468.599 -0.248 20 0 JBADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001176883579 1068665501 /nfs/dbraw/zinc/66/55/01/1068665501.db2.gz IUAVFJCHSZXVIG-LNLFQRSKSA-N 2 2 463.583 -0.496 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CN3CCN(c4ncccn4)CC3)CC2)C1=O ZINC001176980266 1068667705 /nfs/dbraw/zinc/66/77/05/1068667705.db2.gz ZDDGUUYKADVNDM-UHFFFAOYSA-N 2 2 458.611 -0.705 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CN3CCN(c4ncccn4)CC3)CC2)C1=O ZINC001176980266 1068667693 /nfs/dbraw/zinc/66/76/93/1068667693.db2.gz ZDDGUUYKADVNDM-UHFFFAOYSA-N 2 2 458.611 -0.705 20 0 JBADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CN(C)c1cccc[nH+]1)C(N)=O ZINC001177417500 1068675081 /nfs/dbraw/zinc/67/50/81/1068675081.db2.gz MJBRBDUSYNOQSA-WFXMLNOXSA-N 2 2 489.621 -0.251 20 0 JBADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC001177929145 1068680516 /nfs/dbraw/zinc/68/05/16/1068680516.db2.gz HUJFXCLAERILGI-OWSLCNJRSA-N 2 2 463.583 -0.325 20 0 JBADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC001178000174 1068680618 /nfs/dbraw/zinc/68/06/18/1068680618.db2.gz ABAAEKSWPZFNER-BXWFABGCSA-N 2 2 463.583 -0.427 20 0 JBADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001178121819 1068682304 /nfs/dbraw/zinc/68/23/04/1068682304.db2.gz LTWILQFTZASDIW-JPLJXNOCSA-N 2 2 489.621 -0.324 20 0 JBADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001178121820 1068682124 /nfs/dbraw/zinc/68/21/24/1068682124.db2.gz LTWILQFTZASDIW-LXZJYRNTSA-N 2 2 489.621 -0.324 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)CC2)C1=O ZINC001178498935 1068689497 /nfs/dbraw/zinc/68/94/97/1068689497.db2.gz NRZNSFCHLLNZNI-UHFFFAOYSA-N 2 2 494.637 -0.238 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3=O)CC2)C1=O ZINC001178498935 1068689493 /nfs/dbraw/zinc/68/94/93/1068689493.db2.gz NRZNSFCHLLNZNI-UHFFFAOYSA-N 2 2 494.637 -0.238 20 0 JBADLP CC(=O)N1CCC([NH+]2CCC(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)CC2)CC1 ZINC001179017892 1068699069 /nfs/dbraw/zinc/69/90/69/1068699069.db2.gz RBBLRTXFFAWFRA-SFTDATJTSA-N 2 2 487.605 -0.364 20 0 JBADLP CC(=O)N1CCC([NH+]2CCC(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)CC2)CC1 ZINC001179017892 1068699065 /nfs/dbraw/zinc/69/90/65/1068699065.db2.gz RBBLRTXFFAWFRA-SFTDATJTSA-N 2 2 487.605 -0.364 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)C1=O ZINC001180377092 1068714786 /nfs/dbraw/zinc/71/47/86/1068714786.db2.gz CVHJZCHOLNWOCW-UHFFFAOYSA-N 2 2 465.620 -0.037 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)C1=O ZINC001180377092 1068714781 /nfs/dbraw/zinc/71/47/81/1068714781.db2.gz CVHJZCHOLNWOCW-UHFFFAOYSA-N 2 2 465.620 -0.037 20 0 JBADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001180410673 1068716061 /nfs/dbraw/zinc/71/60/61/1068716061.db2.gz UBMVWLXUWFEUOD-WOZUAGRISA-N 2 2 496.568 -0.166 20 0 JBADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001180410673 1068716053 /nfs/dbraw/zinc/71/60/53/1068716053.db2.gz UBMVWLXUWFEUOD-WOZUAGRISA-N 2 2 496.568 -0.166 20 0 JBADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001180410673 1068716047 /nfs/dbraw/zinc/71/60/47/1068716047.db2.gz UBMVWLXUWFEUOD-WOZUAGRISA-N 2 2 496.568 -0.166 20 0 JBADLP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001180410673 1068716043 /nfs/dbraw/zinc/71/60/43/1068716043.db2.gz UBMVWLXUWFEUOD-WOZUAGRISA-N 2 2 496.568 -0.166 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](C)[NH+]1CCCC1)c(N)nc2=O ZINC001180582825 1068718872 /nfs/dbraw/zinc/71/88/72/1068718872.db2.gz RGQJYPWKGGELGW-ILXRZTDVSA-N 2 2 479.538 -0.839 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H](C)[NH+]1CCCC1)c(N)nc2=O ZINC001180582826 1068718939 /nfs/dbraw/zinc/71/89/39/1068718939.db2.gz RGQJYPWKGGELGW-KKUMJFAQSA-N 2 2 479.538 -0.839 20 0 JBADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](C)[NH+]1CCCC1)c(N)nc2=O ZINC001180582827 1068718761 /nfs/dbraw/zinc/71/87/61/1068718761.db2.gz RGQJYPWKGGELGW-QLFBSQMISA-N 2 2 479.538 -0.839 20 0 JBADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H](C)[NH+]1CCCC1)c(N)nc2=O ZINC001180582828 1068718835 /nfs/dbraw/zinc/71/88/35/1068718835.db2.gz RGQJYPWKGGELGW-SOUVJXGZSA-N 2 2 479.538 -0.839 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001180609202 1068720497 /nfs/dbraw/zinc/72/04/97/1068720497.db2.gz QXORIUGETYHXBL-IBGZPJMESA-N 2 2 462.595 -0.218 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001180609203 1068720704 /nfs/dbraw/zinc/72/07/04/1068720704.db2.gz QXORIUGETYHXBL-LJQANCHMSA-N 2 2 462.595 -0.218 20 0 JBADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[N@@H+](C)C1CCCC1)c(N)nc2=O ZINC001180630148 1068721381 /nfs/dbraw/zinc/72/13/81/1068721381.db2.gz LCGCHHVPLMITNW-DOTOQJQBSA-N 2 2 493.565 -0.449 20 0 JBADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[N@H+](C)C1CCCC1)c(N)nc2=O ZINC001180630148 1068721372 /nfs/dbraw/zinc/72/13/72/1068721372.db2.gz LCGCHHVPLMITNW-DOTOQJQBSA-N 2 2 493.565 -0.449 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[N@@H+](C)C1CCCC1)c(N)nc2=O ZINC001180630149 1068721150 /nfs/dbraw/zinc/72/11/50/1068721150.db2.gz LCGCHHVPLMITNW-RDJZCZTQSA-N 2 2 493.565 -0.449 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C[N@H+](C)C1CCCC1)c(N)nc2=O ZINC001180630149 1068721141 /nfs/dbraw/zinc/72/11/41/1068721141.db2.gz LCGCHHVPLMITNW-RDJZCZTQSA-N 2 2 493.565 -0.449 20 0 JBADLP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181491820 1068731457 /nfs/dbraw/zinc/73/14/57/1068731457.db2.gz KSQFQGWQZSKABN-LXQJYTOESA-N 2 2 495.540 -0.552 20 0 JBADLP Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c2n1C(=O)C12CC(C1)CC[N@@H+]2Cc1ccccc1 ZINC001181491820 1068731446 /nfs/dbraw/zinc/73/14/46/1068731446.db2.gz KSQFQGWQZSKABN-LXQJYTOESA-N 2 2 495.540 -0.552 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3(NC(=O)OC(C)(C)C)COC3)CC2)C1=O ZINC001181517096 1068733446 /nfs/dbraw/zinc/73/34/46/1068733446.db2.gz BJDSUXREEZPBOP-UHFFFAOYSA-N 2 2 453.584 -0.023 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3(NC(=O)OC(C)(C)C)COC3)CC2)C1=O ZINC001181517096 1068733439 /nfs/dbraw/zinc/73/34/39/1068733439.db2.gz BJDSUXREEZPBOP-UHFFFAOYSA-N 2 2 453.584 -0.023 20 0 JBADLP CC[N@H+]1CCCC[C@@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181995535 1068738974 /nfs/dbraw/zinc/73/89/74/1068738974.db2.gz GPKYSIHDYPZPJY-ARFHVFGLSA-N 2 2 493.565 -0.449 20 0 JBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181995535 1068738963 /nfs/dbraw/zinc/73/89/63/1068738963.db2.gz GPKYSIHDYPZPJY-ARFHVFGLSA-N 2 2 493.565 -0.449 20 0 JBADLP CC[N@H+]1CCCC[C@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181995537 1068739373 /nfs/dbraw/zinc/73/93/73/1068739373.db2.gz GPKYSIHDYPZPJY-HRCADAONSA-N 2 2 493.565 -0.449 20 0 JBADLP CC[N@@H+]1CCCC[C@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181995537 1068739369 /nfs/dbraw/zinc/73/93/69/1068739369.db2.gz GPKYSIHDYPZPJY-HRCADAONSA-N 2 2 493.565 -0.449 20 0 JBADLP CC[N@H+]1CCCC[C@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181995540 1068739355 /nfs/dbraw/zinc/73/93/55/1068739355.db2.gz GPKYSIHDYPZPJY-JYJNAYRXSA-N 2 2 493.565 -0.449 20 0 JBADLP CC[N@@H+]1CCCC[C@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181995540 1068739350 /nfs/dbraw/zinc/73/93/50/1068739350.db2.gz GPKYSIHDYPZPJY-JYJNAYRXSA-N 2 2 493.565 -0.449 20 0 JBADLP CC[N@H+]1CCCC[C@@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181995543 1068739254 /nfs/dbraw/zinc/73/92/54/1068739254.db2.gz GPKYSIHDYPZPJY-XHSDSOJGSA-N 2 2 493.565 -0.449 20 0 JBADLP CC[N@@H+]1CCCC[C@@H]1C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N ZINC001181995543 1068739239 /nfs/dbraw/zinc/73/92/39/1068739239.db2.gz GPKYSIHDYPZPJY-XHSDSOJGSA-N 2 2 493.565 -0.449 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[C@@H](CO)NC(=O)OC(C)(C)C)CC2)C1=O ZINC001182691815 1068751159 /nfs/dbraw/zinc/75/11/59/1068751159.db2.gz CLVAQARQSZGDSV-KRWDZBQOSA-N 2 2 455.600 -0.041 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[C@@H](CO)NC(=O)OC(C)(C)C)CC2)C1=O ZINC001182691815 1068751149 /nfs/dbraw/zinc/75/11/49/1068751149.db2.gz CLVAQARQSZGDSV-KRWDZBQOSA-N 2 2 455.600 -0.041 20 0 JBADLP CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001182947737 1068754333 /nfs/dbraw/zinc/75/43/33/1068754333.db2.gz ONOBVWUHRVTNCZ-KRWDZBQOSA-N 2 2 455.600 -0.089 20 0 JBADLP CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001182947737 1068754318 /nfs/dbraw/zinc/75/43/18/1068754318.db2.gz ONOBVWUHRVTNCZ-KRWDZBQOSA-N 2 2 455.600 -0.089 20 0 JBADLP CC(C)[C@H](C(=O)n1c2c(ncn2CO[C@@H](CO)COC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc1N)[NH+](C)C ZINC001183365353 1068764949 /nfs/dbraw/zinc/76/49/49/1068764949.db2.gz HSAOMTICJRYUKH-OFQRWUPVSA-N 2 2 481.554 -0.737 20 0 JBADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H](C(C)C)[NH+](C)C)c(N)nc2=O ZINC001183365354 1068765661 /nfs/dbraw/zinc/76/56/61/1068765661.db2.gz HSAOMTICJRYUKH-SQWLQELKSA-N 2 2 481.554 -0.737 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C13CCC[NH+]1CCC3)c(N)nc2=O ZINC001183558534 1068769989 /nfs/dbraw/zinc/76/99/89/1068769989.db2.gz ILBZRRAISKLWCC-GJZGRUSLSA-N 2 2 491.549 -0.695 20 0 JBADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)C13CCC[NH+]1CCC3)c(N)nc2=O ZINC001183558535 1068770313 /nfs/dbraw/zinc/77/03/13/1068770313.db2.gz ILBZRRAISKLWCC-LSDHHAIUSA-N 2 2 491.549 -0.695 20 0 JBADLP CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001183873406 1068777907 /nfs/dbraw/zinc/77/79/07/1068777907.db2.gz HZRADJVHUZONEH-SFHVURJKSA-N 2 2 467.611 -0.080 20 0 JBADLP CC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001183873406 1068777899 /nfs/dbraw/zinc/77/78/99/1068777899.db2.gz HZRADJVHUZONEH-SFHVURJKSA-N 2 2 467.611 -0.080 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CC2)C1=O ZINC001185601920 1068804177 /nfs/dbraw/zinc/80/41/77/1068804177.db2.gz LJQFRUPNMYNXFM-UHFFFAOYSA-N 2 2 471.606 -0.282 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cccc(N4CCCNC(=O)C4)n3)CC2)C1=O ZINC001185601920 1068804162 /nfs/dbraw/zinc/80/41/62/1068804162.db2.gz LJQFRUPNMYNXFM-UHFFFAOYSA-N 2 2 471.606 -0.282 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cn3cnc4c3nc(N)nc4Cl)CC2)C1=O ZINC001185898994 1068814659 /nfs/dbraw/zinc/81/46/59/1068814659.db2.gz WXHCPZJMKUBOCM-UHFFFAOYSA-N 2 2 463.974 -0.241 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cn3cnc4c3nc(N)nc4Cl)CC2)C1=O ZINC001185898994 1068814653 /nfs/dbraw/zinc/81/46/53/1068814653.db2.gz WXHCPZJMKUBOCM-UHFFFAOYSA-N 2 2 463.974 -0.241 20 0 JBADLP CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)cc1 ZINC001188116172 1068869381 /nfs/dbraw/zinc/86/93/81/1068869381.db2.gz XYGZFAYSEPHWJD-UHFFFAOYSA-N 2 2 451.593 -0.095 20 0 JBADLP CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)cc1 ZINC001188116172 1068869370 /nfs/dbraw/zinc/86/93/70/1068869370.db2.gz XYGZFAYSEPHWJD-UHFFFAOYSA-N 2 2 451.593 -0.095 20 0 JBADLP COc1cc(S(N)(=O)=O)cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c1OC ZINC001189557110 1068883080 /nfs/dbraw/zinc/88/30/80/1068883080.db2.gz VKCRSUSDBHOSRL-UHFFFAOYSA-N 2 2 497.618 -0.338 20 0 JBADLP COc1cc(S(N)(=O)=O)cc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c1OC ZINC001189557110 1068883062 /nfs/dbraw/zinc/88/30/62/1068883062.db2.gz VKCRSUSDBHOSRL-UHFFFAOYSA-N 2 2 497.618 -0.338 20 0 JBADLP C[NH+]1CCN(CCCS(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)CC1 ZINC001194857921 1068925821 /nfs/dbraw/zinc/92/58/21/1068925821.db2.gz AVYSHKBBHYEGFY-NRFANRHFSA-N 2 2 451.637 -0.071 20 0 JBADLP C[NH+]1CCN(CCCS(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)CC1 ZINC001194857923 1068925741 /nfs/dbraw/zinc/92/57/41/1068925741.db2.gz AVYSHKBBHYEGFY-OAQYLSRUSA-N 2 2 451.637 -0.071 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3nc(Br)c[nH]c3=O)CC2)C1=O ZINC001196492532 1068938811 /nfs/dbraw/zinc/93/88/11/1068938811.db2.gz CCWLBEHZPCQVLU-UHFFFAOYSA-N 2 2 455.357 -0.157 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3nc(Br)c[nH]c3=O)CC2)C1=O ZINC001196492532 1068938806 /nfs/dbraw/zinc/93/88/06/1068938806.db2.gz CCWLBEHZPCQVLU-UHFFFAOYSA-N 2 2 455.357 -0.157 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197628144 1068945821 /nfs/dbraw/zinc/94/58/21/1068945821.db2.gz MHAUNHGNFANHEI-AABGKKOBSA-N 2 2 454.531 -0.206 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001197628144 1068945815 /nfs/dbraw/zinc/94/58/15/1068945815.db2.gz MHAUNHGNFANHEI-AABGKKOBSA-N 2 2 454.531 -0.206 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001197628144 1068945812 /nfs/dbraw/zinc/94/58/12/1068945812.db2.gz MHAUNHGNFANHEI-AABGKKOBSA-N 2 2 454.531 -0.206 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001197628144 1068945804 /nfs/dbraw/zinc/94/58/04/1068945804.db2.gz MHAUNHGNFANHEI-AABGKKOBSA-N 2 2 454.531 -0.206 20 0 JBADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)cc1 ZINC001198035789 1068949996 /nfs/dbraw/zinc/94/99/96/1068949996.db2.gz CQHXWCXYOHXEHH-JWUVWSEFSA-N 2 2 474.562 -0.499 20 0 JBADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)N[C@H]2[C@H](n3ccc(N)nc3=O)O[C@H](CO)[C@H]2O)cc1 ZINC001198035789 1068949991 /nfs/dbraw/zinc/94/99/91/1068949991.db2.gz CQHXWCXYOHXEHH-JWUVWSEFSA-N 2 2 474.562 -0.499 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cnc(=O)n(C4CCOCC4)c3)CC2)C1=O ZINC001198891236 1068956347 /nfs/dbraw/zinc/95/63/47/1068956347.db2.gz FOXPZIFEOLQBHV-UHFFFAOYSA-N 2 2 460.579 -0.095 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cnc(=O)n(C4CCOCC4)c3)CC2)C1=O ZINC001198891236 1068956346 /nfs/dbraw/zinc/95/63/46/1068956346.db2.gz FOXPZIFEOLQBHV-UHFFFAOYSA-N 2 2 460.579 -0.095 20 0 JBADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cc(N4CCCNC4=O)ncn3)CC2)C1=O ZINC001199426483 1068961678 /nfs/dbraw/zinc/96/16/78/1068961678.db2.gz XDTCCAKAUOLIRX-UHFFFAOYSA-N 2 2 458.567 -0.293 20 0 JBADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cc(N4CCCNC4=O)ncn3)CC2)C1=O ZINC001199426483 1068961674 /nfs/dbraw/zinc/96/16/74/1068961674.db2.gz XDTCCAKAUOLIRX-UHFFFAOYSA-N 2 2 458.567 -0.293 20 0 JBADLP CC1(C)O[C@H]([C@H](O)CO)[C@H](C[NH+]2CCC([NH+]3CCC(C(=O)N4CCOCC4)CC3)CC2)O1 ZINC001209273508 1069493971 /nfs/dbraw/zinc/49/39/71/1069493971.db2.gz QPVCBQZZXMQCHS-QHAWAJNXSA-N 2 2 455.596 -0.105 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCCC[N@@H+]1CCO ZINC001211153787 1069497116 /nfs/dbraw/zinc/49/71/16/1069497116.db2.gz ARLABQLDTLNDNI-GOSISDBHSA-N 2 2 454.597 -0.321 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCCC[N@H+]1CCO ZINC001211153787 1069497100 /nfs/dbraw/zinc/49/71/00/1069497100.db2.gz ARLABQLDTLNDNI-GOSISDBHSA-N 2 2 454.597 -0.321 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001211153790 1069497369 /nfs/dbraw/zinc/49/73/69/1069497369.db2.gz ARLABQLDTLNDNI-SFHVURJKSA-N 2 2 454.597 -0.321 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC001211153790 1069497365 /nfs/dbraw/zinc/49/73/65/1069497365.db2.gz ARLABQLDTLNDNI-SFHVURJKSA-N 2 2 454.597 -0.321 20 0 JBADLP COC1CC[NH+](CCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001211154849 1069497259 /nfs/dbraw/zinc/49/72/59/1069497259.db2.gz MWHCRZXQJMMFDD-UHFFFAOYSA-N 2 2 454.597 -0.057 20 0 JBADLP CC1=C(C(=O)O[C@H]2CC[NH2+]CC(=O)C2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218196725 1069504965 /nfs/dbraw/zinc/50/49/65/1069504965.db2.gz ZNWIEJKMKRWKMZ-BIZBXSGISA-N 2 2 474.539 -0.070 20 0 JBADLP CC1=C(C(=O)O[C@@H]2CC[NH2+]CC(=O)C2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001218196733 1069505192 /nfs/dbraw/zinc/50/51/92/1069505192.db2.gz ZNWIEJKMKRWKMZ-BZLDKRAPSA-N 2 2 474.539 -0.070 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218668300 1069516109 /nfs/dbraw/zinc/51/61/09/1069516109.db2.gz AZQFIFZZRFEXBS-GMAHTHKFSA-N 2 2 499.616 -0.019 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218668966 1069516380 /nfs/dbraw/zinc/51/63/80/1069516380.db2.gz LCXJKXADYKBETG-OALUTQOASA-N 2 2 463.583 -0.447 20 0 JBADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001218752494 1069518674 /nfs/dbraw/zinc/51/86/74/1069518674.db2.gz CPHWLWCAKHXEFG-ZRUFSTJUSA-N 2 2 476.275 -0.709 20 0 JBADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001218754112 1069519273 /nfs/dbraw/zinc/51/92/73/1069519273.db2.gz MINZSMROLCFKDB-WZQZWDJBSA-N 2 2 488.286 -0.838 20 0 JBADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ncnc3c2c(I)cn3[C@H]2C[C@@H](O)[C@H](CO)O2)C1 ZINC001218754173 1069519527 /nfs/dbraw/zinc/51/95/27/1069519527.db2.gz PNARGJYUSDHMCS-BRANHHFCSA-N 2 2 488.286 -0.696 20 0 JBADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ncnc3c2c(I)cn3[C@H]2C[C@@H](O)[C@H](CO)O2)C1 ZINC001218754174 1069519472 /nfs/dbraw/zinc/51/94/72/1069519472.db2.gz PNARGJYUSDHMCS-WZQZWDJBSA-N 2 2 488.286 -0.696 20 0 JBADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC001218868199 1069526202 /nfs/dbraw/zinc/52/62/02/1069526202.db2.gz ZPILRUOPSYLYKH-YJBOKZPZSA-N 2 2 467.530 -0.310 20 0 JBADLP COc1nccn(C(=O)[C@@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875298 1069526168 /nfs/dbraw/zinc/52/61/68/1069526168.db2.gz OVPUXFZBHWZXCS-KRWDZBQOSA-N 2 2 476.559 -0.144 20 0 JBADLP COc1nccn(C(=O)[C@@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875298 1069526165 /nfs/dbraw/zinc/52/61/65/1069526165.db2.gz OVPUXFZBHWZXCS-KRWDZBQOSA-N 2 2 476.559 -0.144 20 0 JBADLP COc1nccn(C(=O)[C@H]2C[N@@H+](C)CC3(CC[NH2+]CC3)O2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875299 1069526084 /nfs/dbraw/zinc/52/60/84/1069526084.db2.gz OVPUXFZBHWZXCS-QGZVFWFLSA-N 2 2 476.559 -0.144 20 0 JBADLP COc1nccn(C(=O)[C@H]2C[N@H+](C)CC3(CC[NH2+]CC3)O2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875299 1069526078 /nfs/dbraw/zinc/52/60/78/1069526078.db2.gz OVPUXFZBHWZXCS-QGZVFWFLSA-N 2 2 476.559 -0.144 20 0 JBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)[C@@H](N)C[NH3+])cc1OC ZINC001219018473 1069531849 /nfs/dbraw/zinc/53/18/49/1069531849.db2.gz DWLFUOFIQBDJFV-HIFRSBDPSA-N 2 2 455.581 -0.073 20 0 JBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)[C@@H](N)C[NH3+])cc1OC ZINC001219018473 1069531845 /nfs/dbraw/zinc/53/18/45/1069531845.db2.gz DWLFUOFIQBDJFV-HIFRSBDPSA-N 2 2 455.581 -0.073 20 0 JBADLP CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)[C@@H](N)C[NH3+])cc1OC ZINC001219018474 1069531835 /nfs/dbraw/zinc/53/18/35/1069531835.db2.gz DWLFUOFIQBDJFV-ZFWWWQNUSA-N 2 2 455.581 -0.073 20 0 JBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)[C@@H](N)C[NH3+])cc1OC ZINC001219018474 1069531832 /nfs/dbraw/zinc/53/18/32/1069531832.db2.gz DWLFUOFIQBDJFV-ZFWWWQNUSA-N 2 2 455.581 -0.073 20 0 JBADLP CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)CNC(=O)C[NH3+])cc1OC ZINC001219018990 1069531692 /nfs/dbraw/zinc/53/16/92/1069531692.db2.gz OMSRHMRKRYJFFO-AWEZNQCLSA-N 2 2 483.591 -0.284 20 0 JBADLP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)CNC(=O)C[NH3+])cc1OC ZINC001219018990 1069531681 /nfs/dbraw/zinc/53/16/81/1069531681.db2.gz OMSRHMRKRYJFFO-AWEZNQCLSA-N 2 2 483.591 -0.284 20 0 JBADLP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)CNC(=O)C[NH3+])cc1OC ZINC001219018991 1069531802 /nfs/dbraw/zinc/53/18/02/1069531802.db2.gz OMSRHMRKRYJFFO-CQSZACIVSA-N 2 2 483.591 -0.284 20 0 JBADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC)c(NC(=O)CNC(=O)C[NH3+])cc1OC ZINC001219018991 1069531798 /nfs/dbraw/zinc/53/17/98/1069531798.db2.gz OMSRHMRKRYJFFO-CQSZACIVSA-N 2 2 483.591 -0.284 20 0 JBADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(C(Cl)=C(Cl)Cl)cc1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001219020840 1069532243 /nfs/dbraw/zinc/53/22/43/1069532243.db2.gz OWKHMEMXNDPTMM-XNCJUZBTSA-N 2 2 492.794 -0.048 20 0 JBADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(C(Cl)=C(Cl)Cl)cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219020841 1069532402 /nfs/dbraw/zinc/53/24/02/1069532402.db2.gz OWKHMEMXNDPTMM-XRGYYRRGSA-N 2 2 492.794 -0.048 20 0 JBADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(C(Cl)=C(Cl)Cl)cc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001219020925 1069532386 /nfs/dbraw/zinc/53/23/86/1069532386.db2.gz SAGNBTLWQZLROV-LURJTMIESA-N 2 2 480.783 -0.062 20 0 JBADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(C(Cl)=C(Cl)Cl)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219021052 1069532340 /nfs/dbraw/zinc/53/23/40/1069532340.db2.gz YEJUIOVCGFJLNP-BQBZGAKWSA-N 2 2 492.794 -0.191 20 0 JBADLP [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001219567459 1069535418 /nfs/dbraw/zinc/53/54/18/1069535418.db2.gz LHROBVXOEHUCHU-GOTSBHOMSA-N 2 2 486.569 -0.234 20 0 JBADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001219568056 1069535562 /nfs/dbraw/zinc/53/55/62/1069535562.db2.gz XOWFQQZNQLMJFS-PXNSSMCTSA-N 2 2 461.563 -0.532 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1)C(=O)CF ZINC001219796039 1069539485 /nfs/dbraw/zinc/53/94/85/1069539485.db2.gz KDQCJEOVXIXXCG-XERREHJYSA-N 3 2 484.617 -0.780 20 0 JBADLP Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)NCc3cc(=O)n4c(n3)C[NH2+]CCC4)c2)cc1 ZINC001219802820 1069539697 /nfs/dbraw/zinc/53/96/97/1069539697.db2.gz CZYINBIWYSJOHK-LJQANCHMSA-N 2 2 485.570 -0.335 20 0 JBADLP COc1cccc(N=c2ncn(C(O)C(=O)C[NH3+])n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012807 1069545446 /nfs/dbraw/zinc/54/54/46/1069545446.db2.gz CNANAXPHEKCJQV-CEXWTWQISA-N 2 2 455.519 -0.770 20 0 JBADLP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012899 1069545383 /nfs/dbraw/zinc/54/53/83/1069545383.db2.gz DQNIFGXJRNQTSB-NASSWSRMSA-N 3 2 480.573 -0.400 20 0 JBADLP COc1cccc(N=c2ncn(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)n3ccc(CN4CC[C@@H]([NH3+])[C@H](O)C4)c23)c1 ZINC001220012900 1069545426 /nfs/dbraw/zinc/54/54/26/1069545426.db2.gz DQNIFGXJRNQTSB-RZXSNQJFSA-N 3 2 480.573 -0.400 20 0 JBADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC001220103468 1069547836 /nfs/dbraw/zinc/54/78/36/1069547836.db2.gz SOBZJYKTRNKBAF-HKUYNNGSSA-N 2 2 464.542 -0.146 20 0 JBADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC001220103469 1069547650 /nfs/dbraw/zinc/54/76/50/1069547650.db2.gz SOBZJYKTRNKBAF-PKOBYXMFSA-N 2 2 464.542 -0.146 20 0 JBADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]([NH3+])CC1CCCC1)c(N)nc2=O ZINC001220122399 1069548837 /nfs/dbraw/zinc/54/88/37/1069548837.db2.gz IBDKEKSFEVHXPY-HRCADAONSA-N 2 2 493.565 -0.416 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]([NH3+])CC1CCCC1)c(N)nc2=O ZINC001220122400 1069548936 /nfs/dbraw/zinc/54/89/36/1069548936.db2.gz IBDKEKSFEVHXPY-JYJNAYRXSA-N 2 2 493.565 -0.416 20 0 JBADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]([NH3+])c1ccccc1)c(N)nc2=O ZINC001220122747 1069549494 /nfs/dbraw/zinc/54/94/94/1069549494.db2.gz MSGRZFZVZNSKMW-ARFHVFGLSA-N 2 2 487.517 -0.623 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]([NH3+])c1ccccc1)c(N)nc2=O ZINC001220122748 1069549591 /nfs/dbraw/zinc/54/95/91/1069549591.db2.gz MSGRZFZVZNSKMW-HRCADAONSA-N 2 2 487.517 -0.623 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]([NH3+])c1ccccc1)c(N)nc2=O ZINC001220122749 1069549435 /nfs/dbraw/zinc/54/94/35/1069549435.db2.gz MSGRZFZVZNSKMW-JYJNAYRXSA-N 2 2 487.517 -0.623 20 0 JBADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]([NH3+])c1ccccc1)c(N)nc2=O ZINC001220122750 1069549398 /nfs/dbraw/zinc/54/93/98/1069549398.db2.gz MSGRZFZVZNSKMW-XHSDSOJGSA-N 2 2 487.517 -0.623 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]([NH3+])C(C)(C)C)c(N)nc2=O ZINC001220122923 1069550271 /nfs/dbraw/zinc/55/02/71/1069550271.db2.gz OSKROEGWFHNEBH-OBJOEFQTSA-N 2 2 467.527 -0.950 20 0 JBADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]([NH3+])C(C)(C)C)c(N)nc2=O ZINC001220122924 1069550254 /nfs/dbraw/zinc/55/02/54/1069550254.db2.gz OSKROEGWFHNEBH-SCRDCRAPSA-N 2 2 467.527 -0.950 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1[NH2+]Cc3ccccc31)c(N)nc2=O ZINC001220122978 1069550998 /nfs/dbraw/zinc/55/09/98/1069550998.db2.gz QEAWZRQIWSINMW-BHYGNILZSA-N 2 2 499.528 -0.479 20 0 JBADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[NH2+]Cc3ccccc31)c(N)nc2=O ZINC001220122979 1069550926 /nfs/dbraw/zinc/55/09/26/1069550926.db2.gz QEAWZRQIWSINMW-UAGQMJEPSA-N 2 2 499.528 -0.479 20 0 JBADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1[NH2+]Cc3ccccc31)c(N)nc2=O ZINC001220122980 1069550771 /nfs/dbraw/zinc/55/07/71/1069550771.db2.gz QEAWZRQIWSINMW-USXIJHARSA-N 2 2 499.528 -0.479 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1[NH2+]Cc3ccccc31)c(N)nc2=O ZINC001220122981 1069550978 /nfs/dbraw/zinc/55/09/78/1069550978.db2.gz QEAWZRQIWSINMW-XIRDDKMYSA-N 2 2 499.528 -0.479 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]([NH3+])CC1CCC1)c(N)nc2=O ZINC001220123052 1069550806 /nfs/dbraw/zinc/55/08/06/1069550806.db2.gz UIURBRTWDXFPQK-KKUMJFAQSA-N 2 2 479.538 -0.806 20 0 JBADLP CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]([NH3+])CC1CCC1)c(N)nc2=O ZINC001220123053 1069550939 /nfs/dbraw/zinc/55/09/39/1069550939.db2.gz UIURBRTWDXFPQK-SOUVJXGZSA-N 2 2 479.538 -0.806 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C(=O)CF ZINC001220186009 1069552815 /nfs/dbraw/zinc/55/28/15/1069552815.db2.gz LVJCTVBYUFGCDD-QCQGSNGOSA-N 2 2 451.490 -0.751 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H]1CC[NH2+]CC1(F)F)C(=O)CF ZINC001220186012 1069553003 /nfs/dbraw/zinc/55/30/03/1069553003.db2.gz LVJCTVBYUFGCDD-ZWUHOBOKSA-N 2 2 451.490 -0.751 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197856 1069553439 /nfs/dbraw/zinc/55/34/39/1069553439.db2.gz UNAIZKQIRFJBHL-FPOVZHCZSA-N 2 2 459.591 -0.206 20 0 JBADLP Cc1[nH+]c[nH]c1CSCCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220257238 1069553487 /nfs/dbraw/zinc/55/34/87/1069553487.db2.gz RXLRLMRUKQBWSC-DEYYWGMASA-N 2 2 472.587 -0.031 20 0 JBADLP COCCn1c[nH+]cc1CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001220274508 1069553808 /nfs/dbraw/zinc/55/38/08/1069553808.db2.gz FXWOSAYRQTWXOY-YEWWUXTCSA-N 2 2 456.519 -0.953 20 0 JBADLP COCCn1c[nH+]cc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001220274804 1069553793 /nfs/dbraw/zinc/55/37/93/1069553793.db2.gz PVRDIVMDIBFTJY-FPOVZHCZSA-N 2 2 458.563 -0.027 20 0 JBADLP CCOC(=O)C1(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF)CC[NH+](C)CC1 ZINC001220345004 1069555505 /nfs/dbraw/zinc/55/55/05/1069555505.db2.gz DFQSAUCQNOJYCS-MPGHIAIKSA-N 2 2 487.573 -0.968 20 0 JBADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[NH+]=C1CN(Cc1ccccc1)c1ccccc1 ZINC001220443734 1069556732 /nfs/dbraw/zinc/55/67/32/1069556732.db2.gz UOPPBXKYSQWNIY-UHFFFAOYSA-N 2 2 493.568 -0.759 20 0 JBADLP CCn1nnc2c1[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+])C[NH2+]C2 ZINC001220505800 1069558727 /nfs/dbraw/zinc/55/87/27/1069558727.db2.gz HYWRLDKITDPUAM-IWIZTMAASA-N 3 2 467.615 -0.220 20 0 JBADLP CCn1nnc2c1[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+])C[NH2+]C2 ZINC001220505801 1069558795 /nfs/dbraw/zinc/55/87/95/1069558795.db2.gz HYWRLDKITDPUAM-LRTAFXBWSA-N 3 2 467.615 -0.220 20 0 JBADLP CCn1nnc2c1[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+])C[NH2+]C2 ZINC001220505802 1069558739 /nfs/dbraw/zinc/55/87/39/1069558739.db2.gz HYWRLDKITDPUAM-MBXOPGAJSA-N 3 2 467.615 -0.220 20 0 JBADLP CCn1nnc2c1[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+])C[NH2+]C2 ZINC001220505803 1069558615 /nfs/dbraw/zinc/55/86/15/1069558615.db2.gz HYWRLDKITDPUAM-WKYCKFSASA-N 3 2 467.615 -0.220 20 0 JBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220505930 1069558772 /nfs/dbraw/zinc/55/87/72/1069558772.db2.gz JNSNHYYZGDXLAJ-AOCJLEPCSA-N 3 2 476.640 -0.941 20 0 JBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505933 1069558860 /nfs/dbraw/zinc/55/88/60/1069558860.db2.gz JNSNHYYZGDXLAJ-LIKKTTQLSA-N 3 2 476.640 -0.941 20 0 JBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@@H](O)OC(C)(C)C)C1 ZINC001220505934 1069558824 /nfs/dbraw/zinc/55/88/24/1069558824.db2.gz JNSNHYYZGDXLAJ-RKYZWWOHSA-N 3 2 476.640 -0.941 20 0 JBADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]2CCS(=O)(=O)C23C[NH2+]C3)[C@H](O)OC(C)(C)C)C1 ZINC001220505936 1069558665 /nfs/dbraw/zinc/55/86/65/1069558665.db2.gz JNSNHYYZGDXLAJ-ZRLASGMHSA-N 3 2 476.640 -0.941 20 0 JBADLP COC(=O)[C@@H]1C[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC[NH2+]1 ZINC001220506151 1069558559 /nfs/dbraw/zinc/55/85/59/1069558559.db2.gz LDIHOIBZYIDBTN-LCBCZDLHSA-N 3 2 458.600 -0.177 20 0 JBADLP COC(=O)[C@@H]1C[C@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC[NH2+]1 ZINC001220506152 1069558678 /nfs/dbraw/zinc/55/86/78/1069558678.db2.gz LDIHOIBZYIDBTN-MKGGJWCUSA-N 3 2 458.600 -0.177 20 0 JBADLP COC(=O)[C@@H]1C[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC[NH2+]1 ZINC001220506154 1069558845 /nfs/dbraw/zinc/55/88/45/1069558845.db2.gz LDIHOIBZYIDBTN-NLTWSFANSA-N 3 2 458.600 -0.177 20 0 JBADLP COC(=O)[C@@H]1C[C@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])CC[NH2+]1 ZINC001220506156 1069559453 /nfs/dbraw/zinc/55/94/53/1069559453.db2.gz LDIHOIBZYIDBTN-UBOIFNSRSA-N 3 2 458.600 -0.177 20 0 JBADLP C[NH+](C)[C@@H](CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1ccc(Cl)cc1Cl ZINC001220533907 1069561655 /nfs/dbraw/zinc/56/16/55/1069561655.db2.gz TWAINIKXCCSDGE-AWEZNQCLSA-N 2 2 461.350 -0.980 20 0 JBADLP C[NH+](C)[C@H](CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])c1ccc(Cl)cc1Cl ZINC001220533908 1069561830 /nfs/dbraw/zinc/56/18/30/1069561830.db2.gz TWAINIKXCCSDGE-CQSZACIVSA-N 2 2 461.350 -0.980 20 0 JBADLP Cc1ccc(Nc2cc(=N[C@@H]3CCCC[C@@H]3[NH3+])n(C(=O)CNC(=O)C[NH3+])nc2C(N)=O)[nH+]c1C ZINC001220565688 1069564563 /nfs/dbraw/zinc/56/45/63/1069564563.db2.gz PEYCSOSEKBHLNP-LSDHHAIUSA-N 3 2 469.550 -0.377 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC001220580491 1069565229 /nfs/dbraw/zinc/56/52/29/1069565229.db2.gz OIOUEMBQSQJMSP-GOSISDBHSA-N 2 2 454.597 -0.321 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CCC[N@H+]1CCCO ZINC001220580491 1069565223 /nfs/dbraw/zinc/56/52/23/1069565223.db2.gz OIOUEMBQSQJMSP-GOSISDBHSA-N 2 2 454.597 -0.321 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001220580492 1069565143 /nfs/dbraw/zinc/56/51/43/1069565143.db2.gz OIOUEMBQSQJMSP-SFHVURJKSA-N 2 2 454.597 -0.321 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC001220580492 1069565133 /nfs/dbraw/zinc/56/51/33/1069565133.db2.gz OIOUEMBQSQJMSP-SFHVURJKSA-N 2 2 454.597 -0.321 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001220580683 1069565342 /nfs/dbraw/zinc/56/53/42/1069565342.db2.gz UZTQJGDNHYDZSP-GOSISDBHSA-N 2 2 454.597 -0.321 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001220580683 1069565339 /nfs/dbraw/zinc/56/53/39/1069565339.db2.gz UZTQJGDNHYDZSP-GOSISDBHSA-N 2 2 454.597 -0.321 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001220580684 1069565319 /nfs/dbraw/zinc/56/53/19/1069565319.db2.gz UZTQJGDNHYDZSP-SFHVURJKSA-N 2 2 454.597 -0.321 20 0 JBADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001220580684 1069565312 /nfs/dbraw/zinc/56/53/12/1069565312.db2.gz UZTQJGDNHYDZSP-SFHVURJKSA-N 2 2 454.597 -0.321 20 0 JBADLP Cn1nc(Cl)c(I)c(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)c1=O ZINC001220729392 1069566715 /nfs/dbraw/zinc/56/67/15/1069566715.db2.gz AVNOYRQSUOVTIS-MRVPVSSYSA-N 2 2 454.700 -0.273 20 0 JBADLP Cn1nc(Cl)c(I)c(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)c1=O ZINC001220729395 1069566628 /nfs/dbraw/zinc/56/66/28/1069566628.db2.gz AVNOYRQSUOVTIS-QMMMGPOBSA-N 2 2 454.700 -0.273 20 0 JBADLP COC(=O)[C@@H]1C[C@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC[NH2+]1 ZINC001220748077 1069567754 /nfs/dbraw/zinc/56/77/54/1069567754.db2.gz DKMIQPUCWMQOCN-NEPJUHHUSA-N 2 2 454.509 -0.694 20 0 JBADLP COC(=O)[C@H]1C[C@@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC[NH2+]1 ZINC001220748078 1069567429 /nfs/dbraw/zinc/56/74/29/1069567429.db2.gz DKMIQPUCWMQOCN-NWDGAFQWSA-N 2 2 454.509 -0.694 20 0 JBADLP COC(=O)[C@@H]1C[C@@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC[NH2+]1 ZINC001220748079 1069567610 /nfs/dbraw/zinc/56/76/10/1069567610.db2.gz DKMIQPUCWMQOCN-RYUDHWBXSA-N 2 2 454.509 -0.694 20 0 JBADLP COC(=O)[C@H]1C[C@H](C(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC[NH2+]1 ZINC001220748080 1069567707 /nfs/dbraw/zinc/56/77/07/1069567707.db2.gz DKMIQPUCWMQOCN-VXGBXAGGSA-N 2 2 454.509 -0.694 20 0 JBADLP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001220765994 1069569163 /nfs/dbraw/zinc/56/91/63/1069569163.db2.gz IZVIITMBUDSZIA-PJDYVGSDSA-N 2 2 498.496 -0.849 20 0 JBADLP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001220765995 1069569337 /nfs/dbraw/zinc/56/93/37/1069569337.db2.gz IZVIITMBUDSZIA-ZZDIOYDHSA-N 2 2 498.496 -0.849 20 0 JBADLP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1 ZINC001220766964 1069570874 /nfs/dbraw/zinc/57/08/74/1069570874.db2.gz YXKMLGYECGYPBO-UEVKGLBPSA-N 2 2 499.524 -0.921 20 0 JBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 ZINC001220770135 1069570898 /nfs/dbraw/zinc/57/08/98/1069570898.db2.gz UHUXGWQSBFQWTK-MOPGFXCFSA-N 2 2 474.543 -0.068 20 0 JBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]([NH3+])Cc1cn(S(=O)(=O)c2ccc(C)cc2)cn1 ZINC001220770136 1069570848 /nfs/dbraw/zinc/57/08/48/1069570848.db2.gz UHUXGWQSBFQWTK-RTBURBONSA-N 2 2 474.543 -0.068 20 0 JBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001220771669 1069571705 /nfs/dbraw/zinc/57/17/05/1069571705.db2.gz BPZBPTDFCGMXLI-ULQDDVLXSA-N 2 2 450.540 -0.981 20 0 JBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001220771670 1069571723 /nfs/dbraw/zinc/57/17/23/1069571723.db2.gz BPZBPTDFCGMXLI-YESZJQIVSA-N 2 2 450.540 -0.981 20 0 JBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001220771988 1069571737 /nfs/dbraw/zinc/57/17/37/1069571737.db2.gz HMXYYBCIZQDYDX-ZJOUEHCJSA-N 2 2 486.573 -0.553 20 0 JBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC001220771989 1069571558 /nfs/dbraw/zinc/57/15/58/1069571558.db2.gz HMXYYBCIZQDYDX-ZVDOUQERSA-N 2 2 486.573 -0.553 20 0 JBADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001220772242 1069571622 /nfs/dbraw/zinc/57/16/22/1069571622.db2.gz LZEPTJMPYAXIOF-DKIMLUQUSA-N 2 2 464.567 -0.511 20 0 JBADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001220772243 1069571806 /nfs/dbraw/zinc/57/18/06/1069571806.db2.gz LZEPTJMPYAXIOF-OWLYRPNTSA-N 2 2 464.567 -0.511 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1)C(=O)CF ZINC001220914777 1069574257 /nfs/dbraw/zinc/57/42/57/1069574257.db2.gz ALNOPZSPKDUUOE-DBSRCYSRSA-N 2 2 478.569 -0.326 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1)C(=O)CF ZINC001220914777 1069574250 /nfs/dbraw/zinc/57/42/50/1069574250.db2.gz ALNOPZSPKDUUOE-DBSRCYSRSA-N 2 2 478.569 -0.326 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)CF ZINC001220933851 1069574302 /nfs/dbraw/zinc/57/43/02/1069574302.db2.gz CHJSEYCNLJXREB-QOIOWGMHSA-N 2 2 464.542 -0.322 20 0 JBADLP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@@H]([NH3+])CCCNC(N)=O)S(=O)(=O)c1ccc(C)cc1 ZINC001221086742 1069577654 /nfs/dbraw/zinc/57/76/54/1069577654.db2.gz FVDFVDOWBCXLJN-IRXDYDNUSA-N 2 2 471.580 -0.041 20 0 JBADLP COC(=O)[C@H](CCCC[NH3+])N(C(=O)[C@H]([NH3+])CCCNC(N)=O)S(=O)(=O)c1ccc(C)cc1 ZINC001221086743 1069577882 /nfs/dbraw/zinc/57/78/82/1069577882.db2.gz FVDFVDOWBCXLJN-SJORKVTESA-N 2 2 471.580 -0.041 20 0 JBADLP COC(=O)[C@H](CCCC[NH3+])N(C(=O)CN1CC[NH2+]CC1=O)S(=O)(=O)c1ccc(C)cc1 ZINC001221087103 1069578229 /nfs/dbraw/zinc/57/82/29/1069578229.db2.gz RYDWBCPPUBCSTD-KRWDZBQOSA-N 2 2 454.549 -0.385 20 0 JBADLP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1)C(N)=O ZINC001221235188 1069584471 /nfs/dbraw/zinc/58/44/71/1069584471.db2.gz VNLKNNMUFGHSDU-RDGPPVDQSA-N 2 2 498.694 -0.569 20 0 JBADLP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1)C(N)=O ZINC001221235188 1069584458 /nfs/dbraw/zinc/58/44/58/1069584458.db2.gz VNLKNNMUFGHSDU-RDGPPVDQSA-N 2 2 498.694 -0.569 20 0 JBADLP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1)C(N)=O ZINC001221235189 1069584146 /nfs/dbraw/zinc/58/41/46/1069584146.db2.gz VNLKNNMUFGHSDU-VJANTYMQSA-N 2 2 498.694 -0.569 20 0 JBADLP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1)C(N)=O ZINC001221235189 1069584137 /nfs/dbraw/zinc/58/41/37/1069584137.db2.gz VNLKNNMUFGHSDU-VJANTYMQSA-N 2 2 498.694 -0.569 20 0 JBADLP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1)C(N)=O ZINC001221235190 1069584182 /nfs/dbraw/zinc/58/41/82/1069584182.db2.gz VNLKNNMUFGHSDU-XWSJACJDSA-N 2 2 498.694 -0.569 20 0 JBADLP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1)C(N)=O ZINC001221235190 1069584171 /nfs/dbraw/zinc/58/41/71/1069584171.db2.gz VNLKNNMUFGHSDU-XWSJACJDSA-N 2 2 498.694 -0.569 20 0 JBADLP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1)C(N)=O ZINC001221235191 1069584409 /nfs/dbraw/zinc/58/44/09/1069584409.db2.gz VNLKNNMUFGHSDU-YRXWBPOGSA-N 2 2 498.694 -0.569 20 0 JBADLP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1)C(N)=O ZINC001221235191 1069584401 /nfs/dbraw/zinc/58/44/01/1069584401.db2.gz VNLKNNMUFGHSDU-YRXWBPOGSA-N 2 2 498.694 -0.569 20 0 JBADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC001221256819 1069584258 /nfs/dbraw/zinc/58/42/58/1069584258.db2.gz NHUFBSYZXYRUMX-WNHJNPCNSA-N 2 2 478.594 -0.120 20 0 JBADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001221256981 1069585136 /nfs/dbraw/zinc/58/51/36/1069585136.db2.gz TZHXHAFWQZYFSS-BZSNNMDCSA-N 2 2 464.567 -0.590 20 0 JBADLP Cn1nnc2c(C(=O)N(CCC[C@H]([NH3+])C(=O)SCc3ccccc3)C(N)=[NH2+])ncn2c1=O ZINC001221341836 1069586263 /nfs/dbraw/zinc/58/62/63/1069586263.db2.gz BWBRESWUSBHPJA-ZDUSSCGKSA-N 2 2 457.520 -0.274 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC001221347740 1069586173 /nfs/dbraw/zinc/58/61/73/1069586173.db2.gz CENXNYGBJPHTMH-QYZOEREBSA-N 2 2 470.530 -0.236 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001221348011 1069586936 /nfs/dbraw/zinc/58/69/36/1069586936.db2.gz FLNOHCCUBPIBER-TUFLPTIASA-N 2 2 495.584 -0.607 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC001221348011 1069586922 /nfs/dbraw/zinc/58/69/22/1069586922.db2.gz FLNOHCCUBPIBER-TUFLPTIASA-N 2 2 495.584 -0.607 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001221348068 1069586886 /nfs/dbraw/zinc/58/68/86/1069586886.db2.gz FXBMTIMVVLJUQP-JENIJYKNSA-N 2 2 457.535 -0.329 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001221348068 1069586874 /nfs/dbraw/zinc/58/68/74/1069586874.db2.gz FXBMTIMVVLJUQP-JENIJYKNSA-N 2 2 457.535 -0.329 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001221348072 1069587036 /nfs/dbraw/zinc/58/70/36/1069587036.db2.gz FXBMTIMVVLJUQP-LNLFQRSKSA-N 2 2 457.535 -0.329 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](c1ccco1)N1CCC([NH3+])CC1 ZINC001221348072 1069587027 /nfs/dbraw/zinc/58/70/27/1069587027.db2.gz FXBMTIMVVLJUQP-LNLFQRSKSA-N 2 2 457.535 -0.329 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001221348430 1069587175 /nfs/dbraw/zinc/58/71/75/1069587175.db2.gz JJNAUXCPPYMXCK-BYMXYVBLSA-N 2 2 465.558 -0.361 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001221348430 1069587169 /nfs/dbraw/zinc/58/71/69/1069587169.db2.gz JJNAUXCPPYMXCK-BYMXYVBLSA-N 2 2 465.558 -0.361 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001221348431 1069586644 /nfs/dbraw/zinc/58/66/44/1069586644.db2.gz JJNAUXCPPYMXCK-JLPWOHBFSA-N 2 2 465.558 -0.361 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001221348431 1069586637 /nfs/dbraw/zinc/58/66/37/1069586637.db2.gz JJNAUXCPPYMXCK-JLPWOHBFSA-N 2 2 465.558 -0.361 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001221348433 1069587326 /nfs/dbraw/zinc/58/73/26/1069587326.db2.gz JJNAUXCPPYMXCK-UBPTVHNVSA-N 2 2 465.558 -0.361 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]12C[NH2+]C[C@H]1CN(c1ccccc1)C2 ZINC001221348433 1069587314 /nfs/dbraw/zinc/58/73/14/1069587314.db2.gz JJNAUXCPPYMXCK-UBPTVHNVSA-N 2 2 465.558 -0.361 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001221348434 1069587233 /nfs/dbraw/zinc/58/72/33/1069587233.db2.gz JJNAUXCPPYMXCK-VUYBDXIFSA-N 2 2 465.558 -0.361 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ccccc1)C2 ZINC001221348434 1069587226 /nfs/dbraw/zinc/58/72/26/1069587226.db2.gz JJNAUXCPPYMXCK-VUYBDXIFSA-N 2 2 465.558 -0.361 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001221348823 1069586795 /nfs/dbraw/zinc/58/67/95/1069586795.db2.gz NTICXEDJIUBANV-PMACEKPBSA-N 2 2 481.557 -0.210 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001221348823 1069586778 /nfs/dbraw/zinc/58/67/78/1069586778.db2.gz NTICXEDJIUBANV-PMACEKPBSA-N 2 2 481.557 -0.210 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001221348855 1069587122 /nfs/dbraw/zinc/58/71/22/1069587122.db2.gz OOFQRMZSNOCFGP-AEFRCRGFSA-N 2 2 465.514 -0.977 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001221348855 1069587115 /nfs/dbraw/zinc/58/71/15/1069587115.db2.gz OOFQRMZSNOCFGP-AEFRCRGFSA-N 2 2 465.514 -0.977 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001221348856 1069587276 /nfs/dbraw/zinc/58/72/76/1069587276.db2.gz OOFQRMZSNOCFGP-CNWOVPGOSA-N 2 2 465.514 -0.977 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001221348856 1069587267 /nfs/dbraw/zinc/58/72/67/1069587267.db2.gz OOFQRMZSNOCFGP-CNWOVPGOSA-N 2 2 465.514 -0.977 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001221348857 1069587069 /nfs/dbraw/zinc/58/70/69/1069587069.db2.gz OOFQRMZSNOCFGP-LCRZVWJLSA-N 2 2 465.514 -0.977 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[NH2+]C[C@]12C(=O)Nc1ccccc12 ZINC001221348857 1069587061 /nfs/dbraw/zinc/58/70/61/1069587061.db2.gz OOFQRMZSNOCFGP-LCRZVWJLSA-N 2 2 465.514 -0.977 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001221348858 1069587152 /nfs/dbraw/zinc/58/71/52/1069587152.db2.gz OOFQRMZSNOCFGP-YWYGCRHHSA-N 2 2 465.514 -0.977 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[NH2+]C[C@@]12C(=O)Nc1ccccc12 ZINC001221348858 1069587145 /nfs/dbraw/zinc/58/71/45/1069587145.db2.gz OOFQRMZSNOCFGP-YWYGCRHHSA-N 2 2 465.514 -0.977 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001221348866 1069586748 /nfs/dbraw/zinc/58/67/48/1069586748.db2.gz OYLRCIZLUAAIOK-OALUTQOASA-N 2 2 453.547 -0.079 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(Cc2ccccn2)CC[NH2+]CC1 ZINC001221348866 1069586734 /nfs/dbraw/zinc/58/67/34/1069586734.db2.gz OYLRCIZLUAAIOK-OALUTQOASA-N 2 2 453.547 -0.079 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CCCCNC(=O)c1ccccn1 ZINC001221348912 1069586985 /nfs/dbraw/zinc/58/69/85/1069586985.db2.gz QANMHOHMNUYNFY-WDSOQIARSA-N 2 2 484.561 -0.764 20 0 JBADLP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348934 1069588069 /nfs/dbraw/zinc/58/80/69/1069588069.db2.gz QXUKRTKHYILPBG-BPUTZDHNSA-N 2 2 450.540 -0.247 20 0 JBADLP CC(C)(C)OC(=O)CC[C@H]([NH3+])CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348934 1069588059 /nfs/dbraw/zinc/58/80/59/1069588059.db2.gz QXUKRTKHYILPBG-BPUTZDHNSA-N 2 2 450.540 -0.247 20 0 JBADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349149 1069588302 /nfs/dbraw/zinc/58/83/02/1069588302.db2.gz RWMWADVCWCRGFX-HILJTLORSA-N 2 2 495.650 -0.475 20 0 JBADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349149 1069588297 /nfs/dbraw/zinc/58/82/97/1069588297.db2.gz RWMWADVCWCRGFX-HILJTLORSA-N 2 2 495.650 -0.475 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001221349182 1069588138 /nfs/dbraw/zinc/58/81/38/1069588138.db2.gz SREYFVOJXNGMPM-JENIJYKNSA-N 2 2 457.535 -0.457 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001221349182 1069588127 /nfs/dbraw/zinc/58/81/27/1069588127.db2.gz SREYFVOJXNGMPM-JENIJYKNSA-N 2 2 457.535 -0.457 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001221349184 1069587713 /nfs/dbraw/zinc/58/77/13/1069587713.db2.gz SREYFVOJXNGMPM-LNLFQRSKSA-N 2 2 457.535 -0.457 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001221349184 1069587702 /nfs/dbraw/zinc/58/77/02/1069587702.db2.gz SREYFVOJXNGMPM-LNLFQRSKSA-N 2 2 457.535 -0.457 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001221349332 1069587677 /nfs/dbraw/zinc/58/76/77/1069587677.db2.gz VQIFQCXNDFNZGA-PMACEKPBSA-N 2 2 453.547 -0.368 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(CN2CC[NH2+]CC2)c1 ZINC001221349332 1069587672 /nfs/dbraw/zinc/58/76/72/1069587672.db2.gz VQIFQCXNDFNZGA-PMACEKPBSA-N 2 2 453.547 -0.368 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001221349333 1069588233 /nfs/dbraw/zinc/58/82/33/1069588233.db2.gz VRAOGLAWVXXJOW-PMACEKPBSA-N 2 2 481.557 -0.291 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001221349333 1069588229 /nfs/dbraw/zinc/58/82/29/1069588229.db2.gz VRAOGLAWVXXJOW-PMACEKPBSA-N 2 2 481.557 -0.291 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001221349377 1069587651 /nfs/dbraw/zinc/58/76/51/1069587651.db2.gz WOHOAZDALLXCDC-OALUTQOASA-N 2 2 453.547 -0.079 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(Cc2cccnc2)CC[NH2+]CC1 ZINC001221349377 1069587644 /nfs/dbraw/zinc/58/76/44/1069587644.db2.gz WOHOAZDALLXCDC-OALUTQOASA-N 2 2 453.547 -0.079 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001221349494 1069588010 /nfs/dbraw/zinc/58/80/10/1069588010.db2.gz XWFOGSCJNRSKFK-BJLQDIEVSA-N 2 2 466.542 -0.004 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001221349494 1069587996 /nfs/dbraw/zinc/58/79/96/1069587996.db2.gz XWFOGSCJNRSKFK-BJLQDIEVSA-N 2 2 466.542 -0.004 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001221349495 1069587798 /nfs/dbraw/zinc/58/77/98/1069587798.db2.gz XWFOGSCJNRSKFK-CMKODMSKSA-N 2 2 466.542 -0.004 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1Oc2ccccc2C12CC[NH2+]CC2 ZINC001221349495 1069587786 /nfs/dbraw/zinc/58/77/86/1069587786.db2.gz XWFOGSCJNRSKFK-CMKODMSKSA-N 2 2 466.542 -0.004 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001221349585 1069587909 /nfs/dbraw/zinc/58/79/09/1069587909.db2.gz YZLDUGQLAKLMTE-PMACEKPBSA-N 2 2 478.557 -0.111 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2ccc(N3CC[NH2+]CC3)n2c1 ZINC001221349585 1069587891 /nfs/dbraw/zinc/58/78/91/1069587891.db2.gz YZLDUGQLAKLMTE-PMACEKPBSA-N 2 2 478.557 -0.111 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001221349592 1069588774 /nfs/dbraw/zinc/58/87/74/1069588774.db2.gz ZFXFDMZRHSECDQ-HCXYKTFWSA-N 2 2 465.514 -0.974 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@H]1NC2=O ZINC001221349592 1069588765 /nfs/dbraw/zinc/58/87/65/1069588765.db2.gz ZFXFDMZRHSECDQ-HCXYKTFWSA-N 2 2 465.514 -0.974 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001221349594 1069589020 /nfs/dbraw/zinc/58/90/20/1069589020.db2.gz ZFXFDMZRHSECDQ-OKYOBFRVSA-N 2 2 465.514 -0.974 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@H]1NC2=O ZINC001221349594 1069589010 /nfs/dbraw/zinc/58/90/10/1069589010.db2.gz ZFXFDMZRHSECDQ-OKYOBFRVSA-N 2 2 465.514 -0.974 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001221349595 1069588652 /nfs/dbraw/zinc/58/86/52/1069588652.db2.gz ZFXFDMZRHSECDQ-VJANTYMQSA-N 2 2 465.514 -0.974 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2c(c1)[C@@H]1C[NH2+]C[C@@H]1NC2=O ZINC001221349595 1069588644 /nfs/dbraw/zinc/58/86/44/1069588644.db2.gz ZFXFDMZRHSECDQ-VJANTYMQSA-N 2 2 465.514 -0.974 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001221349596 1069588845 /nfs/dbraw/zinc/58/88/45/1069588845.db2.gz ZFXFDMZRHSECDQ-XWSJACJDSA-N 2 2 465.514 -0.974 20 0 JBADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2c(c1)[C@H]1C[NH2+]C[C@@H]1NC2=O ZINC001221349596 1069588838 /nfs/dbraw/zinc/58/88/38/1069588838.db2.gz ZFXFDMZRHSECDQ-XWSJACJDSA-N 2 2 465.514 -0.974 20 0 JBADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349609 1069588932 /nfs/dbraw/zinc/58/89/32/1069588932.db2.gz ZKBRMUTXEOGYJH-VJANTYMQSA-N 2 2 477.610 -0.182 20 0 JBADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([NH3+])c1cccs1)C(N)=O ZINC001221351600 1069590439 /nfs/dbraw/zinc/59/04/39/1069590439.db2.gz JOVIGPRACMYELP-ONIAQPFYSA-N 2 2 480.635 -0.021 20 0 JBADLP Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)[C@@H]3COC4(C[NH2+]C4)CN3)ccc12 ZINC001221352095 1069591824 /nfs/dbraw/zinc/59/18/24/1069591824.db2.gz PGGXLBDTQDYMGQ-ROUUACIJSA-N 2 2 466.498 -0.179 20 0 JBADLP Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)[C@H]3COC4(C[NH2+]C4)CN3)ccc12 ZINC001221352096 1069591719 /nfs/dbraw/zinc/59/17/19/1069591719.db2.gz PGGXLBDTQDYMGQ-ZWKOTPCHSA-N 2 2 466.498 -0.179 20 0 JBADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[NH2+]CC(F)(F)C1)C(N)=O ZINC001221352396 1069592500 /nfs/dbraw/zinc/59/25/00/1069592500.db2.gz UASHIYOEXCZCJF-QAETUUGQSA-N 2 2 488.580 -0.538 20 0 JBADLP CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[NH2+]CC(F)(F)C1)C(N)=O ZINC001221352397 1069592175 /nfs/dbraw/zinc/59/21/75/1069592175.db2.gz UASHIYOEXCZCJF-QZWWFDLISA-N 2 2 488.580 -0.538 20 0 JBADLP Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)CN(CC[NH3+])S(C)(=O)=O)ccc12 ZINC001221352559 1069592944 /nfs/dbraw/zinc/59/29/44/1069592944.db2.gz WVDBWGPMKOJCST-KRWDZBQOSA-N 2 2 490.542 -0.289 20 0 JBADLP Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)CN(CC[NH3+])S(C)(=O)=O)ccc12 ZINC001221352559 1069592929 /nfs/dbraw/zinc/59/29/29/1069592929.db2.gz WVDBWGPMKOJCST-KRWDZBQOSA-N 2 2 490.542 -0.289 20 0 JBADLP Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)ccc12 ZINC001221352668 1069592999 /nfs/dbraw/zinc/59/29/99/1069592999.db2.gz XZQRSAVZVJGXJY-JXFKEZNVSA-N 2 2 464.482 -0.031 20 0 JBADLP Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)[C@@H]3NC(=O)CC34C[NH2+]C4)ccc12 ZINC001221352668 1069592992 /nfs/dbraw/zinc/59/29/92/1069592992.db2.gz XZQRSAVZVJGXJY-JXFKEZNVSA-N 2 2 464.482 -0.031 20 0 JBADLP Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)[C@H]3NC(=O)CC34C[NH2+]C4)ccc12 ZINC001221352673 1069593186 /nfs/dbraw/zinc/59/31/86/1069593186.db2.gz XZQRSAVZVJGXJY-OXJNMPFZSA-N 2 2 464.482 -0.031 20 0 JBADLP Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)[C@H]3NC(=O)CC34C[NH2+]C4)ccc12 ZINC001221352673 1069593178 /nfs/dbraw/zinc/59/31/78/1069593178.db2.gz XZQRSAVZVJGXJY-OXJNMPFZSA-N 2 2 464.482 -0.031 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C)C(=O)CF ZINC001221359586 1069593722 /nfs/dbraw/zinc/59/37/22/1069593722.db2.gz XNKPESGBHNUALJ-DUPRYPCISA-N 2 2 487.617 -0.249 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C)C(=O)CF ZINC001221359589 1069593579 /nfs/dbraw/zinc/59/35/79/1069593579.db2.gz XNKPESGBHNUALJ-YTXYEVPYSA-N 2 2 487.617 -0.249 20 0 JBADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC001223116624 1069599511 /nfs/dbraw/zinc/59/95/11/1069599511.db2.gz PYHKCKRMQASINF-UHFFFAOYSA-N 2 2 453.613 -0.203 20 0 JBADLP CC1=C(C(=O)OC[C@@H]2C[N@@H+](C)CCO2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001229329130 1069612436 /nfs/dbraw/zinc/61/24/36/1069612436.db2.gz RWICLVNFRDGYFX-BIZBXSGISA-N 2 2 476.555 -0.060 20 0 JBADLP CC1=C(C(=O)OC[C@@H]2C[N@H+](C)CCO2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001229329130 1069612435 /nfs/dbraw/zinc/61/24/35/1069612435.db2.gz RWICLVNFRDGYFX-BIZBXSGISA-N 2 2 476.555 -0.060 20 0 JBADLP CC1=C(C(=O)OC[C@H]2C[N@@H+](C)CCO2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001229329138 1069612708 /nfs/dbraw/zinc/61/27/08/1069612708.db2.gz RWICLVNFRDGYFX-BZLDKRAPSA-N 2 2 476.555 -0.060 20 0 JBADLP CC1=C(C(=O)OC[C@H]2C[N@H+](C)CCO2)N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2SC1 ZINC001229329138 1069612706 /nfs/dbraw/zinc/61/27/06/1069612706.db2.gz RWICLVNFRDGYFX-BZLDKRAPSA-N 2 2 476.555 -0.060 20 0 JBADLP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)cn2)CC1 ZINC001232360765 1069616663 /nfs/dbraw/zinc/61/66/63/1069616663.db2.gz MNXOHYFDEFHGBY-NJDAHSKKSA-N 2 2 477.631 -0.073 20 0 JBADLP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@H]4C(=O)N3CCOCC3)cn2)CC1 ZINC001232360765 1069616657 /nfs/dbraw/zinc/61/66/57/1069616657.db2.gz MNXOHYFDEFHGBY-NJDAHSKKSA-N 2 2 477.631 -0.073 20 0 JBADLP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)cn2)CC1 ZINC001232360766 1069616718 /nfs/dbraw/zinc/61/67/18/1069616718.db2.gz MNXOHYFDEFHGBY-PWRODBHTSA-N 2 2 477.631 -0.073 20 0 JBADLP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)cn2)CC1 ZINC001232360766 1069616714 /nfs/dbraw/zinc/61/67/14/1069616714.db2.gz MNXOHYFDEFHGBY-PWRODBHTSA-N 2 2 477.631 -0.073 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)nc1)C(=O)NCC(N)=O ZINC001232366996 1069617025 /nfs/dbraw/zinc/61/70/25/1069617025.db2.gz XAMWQOQOTSJNNI-PMACEKPBSA-N 2 2 473.622 -0.070 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)nc1)C(=O)NCC(N)=O ZINC001232366996 1069617020 /nfs/dbraw/zinc/61/70/20/1069617020.db2.gz XAMWQOQOTSJNNI-PMACEKPBSA-N 2 2 473.622 -0.070 20 0 JBADLP C[NH+]1CCC(n2cc(NC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cn2)CC1 ZINC001234455639 1069619390 /nfs/dbraw/zinc/61/93/90/1069619390.db2.gz FOLWCGVMQAHRFN-UHFFFAOYSA-N 2 2 454.601 -0.209 20 0 JBADLP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](Cc3cnc4n3CC[NH2+]C4)CC[C@@H]12 ZINC001235491737 1069620427 /nfs/dbraw/zinc/62/04/27/1069620427.db2.gz DDSNEWLFQZPJSI-NQIIRXRSSA-N 2 2 466.608 -0.539 20 0 JBADLP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](Cc3cnc4n3CC[NH2+]C4)CC[C@@H]12 ZINC001235491737 1069620424 /nfs/dbraw/zinc/62/04/24/1069620424.db2.gz DDSNEWLFQZPJSI-NQIIRXRSSA-N 2 2 466.608 -0.539 20 0 JBADLP [NH3+]CCNC(=O)c1cccc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)c1 ZINC001235550932 1069621254 /nfs/dbraw/zinc/62/12/54/1069621254.db2.gz QATXTZQPUWNBAU-VAMGGRTRSA-N 2 2 464.588 -0.531 20 0 JBADLP [NH3+]CCNC(=O)c1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)c1 ZINC001235550932 1069621249 /nfs/dbraw/zinc/62/12/49/1069621249.db2.gz QATXTZQPUWNBAU-VAMGGRTRSA-N 2 2 464.588 -0.531 20 0 JBADLP [NH3+]CCNC(=O)c1cccc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)c1 ZINC001235550952 1069621214 /nfs/dbraw/zinc/62/12/14/1069621214.db2.gz QATXTZQPUWNBAU-XUVXKRRUSA-N 2 2 464.588 -0.531 20 0 JBADLP [NH3+]CCNC(=O)c1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)c1 ZINC001235550952 1069621206 /nfs/dbraw/zinc/62/12/06/1069621206.db2.gz QATXTZQPUWNBAU-XUVXKRRUSA-N 2 2 464.588 -0.531 20 0 JBADLP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)C[C@@H]21)N1CCOCC1 ZINC001235551614 1069620937 /nfs/dbraw/zinc/62/09/37/1069620937.db2.gz SZMQMZSYZQJJHV-VAMGGRTRSA-N 2 2 463.604 -0.415 20 0 JBADLP O=C([C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)C[C@@H]21)N1CCOCC1 ZINC001235551614 1069620927 /nfs/dbraw/zinc/62/09/27/1069620927.db2.gz SZMQMZSYZQJJHV-VAMGGRTRSA-N 2 2 463.604 -0.415 20 0 JBADLP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)C[C@@H]21)N1CCOCC1 ZINC001235551630 1069621312 /nfs/dbraw/zinc/62/13/12/1069621312.db2.gz SZMQMZSYZQJJHV-XUVXKRRUSA-N 2 2 463.604 -0.415 20 0 JBADLP O=C([C@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccc(N4CC[NH2+]CC4)nc3)C[C@@H]21)N1CCOCC1 ZINC001235551630 1069621309 /nfs/dbraw/zinc/62/13/09/1069621309.db2.gz SZMQMZSYZQJJHV-XUVXKRRUSA-N 2 2 463.604 -0.415 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)NCC[NH3+])c1)C(=O)NCC(N)=O ZINC001235882791 1069622078 /nfs/dbraw/zinc/62/20/78/1069622078.db2.gz PKQFMJNOESIPBM-OALUTQOASA-N 2 2 460.579 -0.528 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)NCC[NH3+])c1)C(=O)NCC(N)=O ZINC001235882791 1069622075 /nfs/dbraw/zinc/62/20/75/1069622075.db2.gz PKQFMJNOESIPBM-OALUTQOASA-N 2 2 460.579 -0.528 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)nc1)C(=O)NCC(N)=O ZINC001235882885 1069621865 /nfs/dbraw/zinc/62/18/65/1069621865.db2.gz RQTSJLQQQIBMCY-OALUTQOASA-N 2 2 459.595 -0.412 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)nc1)C(=O)NCC(N)=O ZINC001235882885 1069621859 /nfs/dbraw/zinc/62/18/59/1069621859.db2.gz RQTSJLQQQIBMCY-OALUTQOASA-N 2 2 459.595 -0.412 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C[C@H]1COCC[NH2+]1)N1CCC(F)(F)C1 ZINC001236158426 1069621982 /nfs/dbraw/zinc/62/19/82/1069621982.db2.gz PJAAZNUOMMULFP-FHWLQOOXSA-N 2 2 465.549 -0.103 20 0 JBADLP O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C[C@@H]1COCC[NH2+]1)N1CCC(F)(F)C1 ZINC001236158428 1069621880 /nfs/dbraw/zinc/62/18/80/1069621880.db2.gz PJAAZNUOMMULFP-QYZOEREBSA-N 2 2 465.549 -0.103 20 0 JBADLP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCN([C@@H]4C[NH2+][C@H](C(=O)N5CCC(F)(F)C5)C4)CC3)[C@@H](O)[C@@H]2O1 ZINC001236263186 1069622009 /nfs/dbraw/zinc/62/20/09/1069622009.db2.gz IXDGXSWPDUMJOO-YDRUYBAWSA-N 2 2 460.522 -0.561 20 0 JBADLP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)NCCN3CC[NH2+]CC3=O)c(Cl)c2)CC1 ZINC001238801666 1069628678 /nfs/dbraw/zinc/62/86/78/1069628678.db2.gz SYOULDBDYXWHBQ-UHFFFAOYSA-N 2 2 458.972 -0.171 20 0 JBADLP C[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCNC(=O)C34C[NH2+]C4)c(Cl)c2)CC1 ZINC001239030061 1069630375 /nfs/dbraw/zinc/63/03/75/1069630375.db2.gz DMNUVMDWGAEMAG-UHFFFAOYSA-N 2 2 456.956 -0.418 20 0 JBADLP [NH3+]CCNC(=S)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001239446892 1069633463 /nfs/dbraw/zinc/63/34/63/1069633463.db2.gz DBFHQYKUFPJENA-HOTGVXAUSA-N 2 2 468.578 -0.258 20 0 JBADLP OC[C@@H]1O[C@@H](n2cc(I)c3c2nc[nH+]c3NC[C@@]2(O)CC[NH2+]C2)C[C@H]1O ZINC001245958613 1069636148 /nfs/dbraw/zinc/63/61/48/1069636148.db2.gz IFYLUDAZURIOMU-AZKPJATDSA-N 2 2 475.287 -0.187 20 0 JBADLP OC[C@@H]1O[C@@H](n2cc(I)c3c2nc[nH+]c3NC[C@]2(O)CC[NH2+]C2)C[C@H]1O ZINC001245958622 1069636309 /nfs/dbraw/zinc/63/63/09/1069636309.db2.gz IFYLUDAZURIOMU-JBBSTSQOSA-N 2 2 475.287 -0.187 20 0 JBADLP O=S1(=O)[C@H]2C[C@@H]3C[N@H+](C[C@H](O)CC4(O)CC[NH2+]CC4)C[C@@]2(CN1CCc1ccccc1)O3 ZINC001246038497 1069638606 /nfs/dbraw/zinc/63/86/06/1069638606.db2.gz FJCPRGMGFDOYQU-JFYQVNSESA-N 2 2 465.616 -0.048 20 0 JBADLP O=S1(=O)[C@H]2C[C@@H]3C[N@@H+](C[C@H](O)CC4(O)CC[NH2+]CC4)C[C@@]2(CN1CCc1ccccc1)O3 ZINC001246038497 1069638604 /nfs/dbraw/zinc/63/86/04/1069638604.db2.gz FJCPRGMGFDOYQU-JFYQVNSESA-N 2 2 465.616 -0.048 20 0 JBADLP O=S1(=O)[C@H]2C[C@@H]3C[N@H+](C[C@@H](O)CC4(O)CC[NH2+]CC4)C[C@@]2(CN1CCc1ccccc1)O3 ZINC001246038506 1069638570 /nfs/dbraw/zinc/63/85/70/1069638570.db2.gz FJCPRGMGFDOYQU-KGSLCBSSSA-N 2 2 465.616 -0.048 20 0 JBADLP O=S1(=O)[C@H]2C[C@@H]3C[N@@H+](C[C@@H](O)CC4(O)CC[NH2+]CC4)C[C@@]2(CN1CCc1ccccc1)O3 ZINC001246038506 1069638567 /nfs/dbraw/zinc/63/85/67/1069638567.db2.gz FJCPRGMGFDOYQU-KGSLCBSSSA-N 2 2 465.616 -0.048 20 0 JBADLP O=S1(=O)[C@H]2C[C@@H]3C[N@H+](C[C@H](O)CC4(O)CC[NH2+]CC4)C[C@@]2(CN1Cc1ccncc1)O3 ZINC001246039350 1069638650 /nfs/dbraw/zinc/63/86/50/1069638650.db2.gz GXIXPHKHUVZJPS-BNDYYXHWSA-N 2 2 452.577 -0.696 20 0 JBADLP O=S1(=O)[C@H]2C[C@@H]3C[N@@H+](C[C@H](O)CC4(O)CC[NH2+]CC4)C[C@@]2(CN1Cc1ccncc1)O3 ZINC001246039350 1069638647 /nfs/dbraw/zinc/63/86/47/1069638647.db2.gz GXIXPHKHUVZJPS-BNDYYXHWSA-N 2 2 452.577 -0.696 20 0 JBADLP O=S1(=O)[C@H]2C[C@@H]3C[N@H+](C[C@@H](O)CC4(O)CC[NH2+]CC4)C[C@@]2(CN1Cc1ccncc1)O3 ZINC001246039351 1069638583 /nfs/dbraw/zinc/63/85/83/1069638583.db2.gz GXIXPHKHUVZJPS-JTJHWIPRSA-N 2 2 452.577 -0.696 20 0 JBADLP O=S1(=O)[C@H]2C[C@@H]3C[N@@H+](C[C@@H](O)CC4(O)CC[NH2+]CC4)C[C@@]2(CN1Cc1ccncc1)O3 ZINC001246039351 1069638582 /nfs/dbraw/zinc/63/85/82/1069638582.db2.gz GXIXPHKHUVZJPS-JTJHWIPRSA-N 2 2 452.577 -0.696 20 0 JBADLP O=S1(=O)Cc2cnc(N3CCCC3)nc2[C@H]2C[N@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@H]21 ZINC001246039755 1069638658 /nfs/dbraw/zinc/63/86/58/1069638658.db2.gz JDQQLFQNORDIMP-FGTMMUONSA-N 2 2 451.593 -0.362 20 0 JBADLP O=S1(=O)Cc2cnc(N3CCCC3)nc2[C@H]2C[N@@H+](C[C@H](O)CC3(O)CC[NH2+]CC3)C[C@H]21 ZINC001246039755 1069638656 /nfs/dbraw/zinc/63/86/56/1069638656.db2.gz JDQQLFQNORDIMP-FGTMMUONSA-N 2 2 451.593 -0.362 20 0 JBADLP O=S1(=O)Cc2cnc(N3CCCC3)nc2[C@H]2C[N@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@H]21 ZINC001246039757 1069638512 /nfs/dbraw/zinc/63/85/12/1069638512.db2.gz JDQQLFQNORDIMP-OKZBNKHCSA-N 2 2 451.593 -0.362 20 0 JBADLP O=S1(=O)Cc2cnc(N3CCCC3)nc2[C@H]2C[N@@H+](C[C@@H](O)CC3(O)CC[NH2+]CC3)C[C@H]21 ZINC001246039757 1069638507 /nfs/dbraw/zinc/63/85/07/1069638507.db2.gz JDQQLFQNORDIMP-OKZBNKHCSA-N 2 2 451.593 -0.362 20 0 JBADLP CC[C@]1(C(=O)OC)C[C@H](n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C[NH2+]1 ZINC001246263728 1069643104 /nfs/dbraw/zinc/64/31/04/1069643104.db2.gz CTZGVJJKILBRIL-DGCWBMGLSA-N 2 2 479.538 -0.468 20 0 JBADLP CC[C@]1(C(=O)OC)C[C@@H](n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C[NH2+]1 ZINC001246263742 1069643070 /nfs/dbraw/zinc/64/30/70/1069643070.db2.gz CTZGVJJKILBRIL-HKZYLEAXSA-N 2 2 479.538 -0.468 20 0 JBADLP CC[C@@]1(C(=O)OC)C[C@H](n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C[NH2+]1 ZINC001246263747 1069643282 /nfs/dbraw/zinc/64/32/82/1069643282.db2.gz CTZGVJJKILBRIL-RXSFTSLZSA-N 2 2 479.538 -0.468 20 0 JBADLP CC[C@@]1(C(=O)OC)C[C@@H](n2c3c(ncn3COCCOC(=O)[C@@H]([NH3+])C(C)C)c(=O)nc2N)C[NH2+]1 ZINC001246263757 1069643207 /nfs/dbraw/zinc/64/32/07/1069643207.db2.gz CTZGVJJKILBRIL-YPENRWOSSA-N 2 2 479.538 -0.468 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1)c(N)nc2=O ZINC001246270854 1069644046 /nfs/dbraw/zinc/64/40/46/1069644046.db2.gz VGICHBXEMPXCMH-ILXRZTDVSA-N 2 2 493.565 -0.080 20 0 JBADLP CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c1n([C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1)c(N)nc2=O ZINC001246270855 1069643898 /nfs/dbraw/zinc/64/38/98/1069643898.db2.gz VGICHBXEMPXCMH-KKUMJFAQSA-N 2 2 493.565 -0.080 20 0 JBADLP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246283476 1069644628 /nfs/dbraw/zinc/64/46/28/1069644628.db2.gz BGJJXPLIMYYPFO-JOCHJYFZSA-N 3 2 465.632 -0.207 20 0 JBADLP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246283477 1069644582 /nfs/dbraw/zinc/64/45/82/1069644582.db2.gz BGJJXPLIMYYPFO-QFIPXVFZSA-N 3 2 465.632 -0.207 20 0 JBADLP C[C@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288779 1069645385 /nfs/dbraw/zinc/64/53/85/1069645385.db2.gz MSOPHAQKWSATLZ-LEWJYISDSA-N 3 2 451.605 -0.599 20 0 JBADLP C[C@@H]1C[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288780 1069645338 /nfs/dbraw/zinc/64/53/38/1069645338.db2.gz MSOPHAQKWSATLZ-NHCUHLMSSA-N 3 2 451.605 -0.599 20 0 JBADLP C[C@@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288782 1069645306 /nfs/dbraw/zinc/64/53/06/1069645306.db2.gz MSOPHAQKWSATLZ-RTWAWAEBSA-N 3 2 451.605 -0.599 20 0 JBADLP C[C@H]1C[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246288783 1069645367 /nfs/dbraw/zinc/64/53/67/1069645367.db2.gz MSOPHAQKWSATLZ-SFTDATJTSA-N 3 2 451.605 -0.599 20 0 JBADLP O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCC[NH2+][C@H]1CC[NH2+]C1 ZINC001246288970 1069645296 /nfs/dbraw/zinc/64/52/96/1069645296.db2.gz MVQPUGMDFYTDKX-IWFBPKFRSA-N 2 2 487.667 -0.170 20 0 JBADLP O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCC[NH2+][C@@H]1CC[NH2+]C1 ZINC001246288977 1069645301 /nfs/dbraw/zinc/64/53/01/1069645301.db2.gz MVQPUGMDFYTDKX-JKBKZWBZSA-N 2 2 487.667 -0.170 20 0 JBADLP C[C@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246289898 1069645379 /nfs/dbraw/zinc/64/53/79/1069645379.db2.gz OCFQJBNAPYIJTM-FCHUYYIVSA-N 3 2 465.632 -0.209 20 0 JBADLP C[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246289900 1069645316 /nfs/dbraw/zinc/64/53/16/1069645316.db2.gz OCFQJBNAPYIJTM-FGZHOGPDSA-N 3 2 465.632 -0.209 20 0 JBADLP C[C@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246289901 1069645352 /nfs/dbraw/zinc/64/53/52/1069645352.db2.gz OCFQJBNAPYIJTM-VXKWHMMOSA-N 3 2 465.632 -0.209 20 0 JBADLP C[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCOCCOCCOCCOCC[NH3+])C[NH2+]1 ZINC001246289902 1069646246 /nfs/dbraw/zinc/64/62/46/1069646246.db2.gz OCFQJBNAPYIJTM-YADHBBJMSA-N 3 2 465.632 -0.209 20 0 JBADLP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246291050 1069646069 /nfs/dbraw/zinc/64/60/69/1069646069.db2.gz QEYRUDUFBXBSBA-NRFANRHFSA-N 3 2 451.605 -0.597 20 0 JBADLP [NH3+]CCOCCOCCOCCOCCOCCOCCOCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246291052 1069646418 /nfs/dbraw/zinc/64/64/18/1069646418.db2.gz QEYRUDUFBXBSBA-OAQYLSRUSA-N 3 2 451.605 -0.597 20 0 JBADLP Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2[NH2+]C2C[C@@H]3COC[C@H](C2)[NH2+]3)cc1 ZINC001246338524 1069646948 /nfs/dbraw/zinc/64/69/48/1069646948.db2.gz JERMNKCDCMEQDE-YJEGLONNSA-N 2 2 486.525 -0.150 20 0 JBADLP O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCC[NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246405490 1069648436 /nfs/dbraw/zinc/64/84/36/1069648436.db2.gz PNNPNGAKWFAVDO-MDLQHZPTSA-N 2 2 499.678 -0.029 20 0 JBADLP COC(=O)C1C[C@@H]2CC([NH2+]CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C[C@H](C1)[NH2+]2 ZINC001246446238 1069649170 /nfs/dbraw/zinc/64/91/70/1069649170.db2.gz BIYICOHKGJPIDC-QFYCONQBSA-N 2 2 499.678 -0.098 20 0 JBADLP COCCOCCOCCOCCOCCOCCOCC[NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246470847 1069652016 /nfs/dbraw/zinc/65/20/16/1069652016.db2.gz SBLKNIKUTJGMJS-FRIKZZABSA-N 2 2 464.600 -0.159 20 0 JBADLP CC[C@@]1(C(=O)OC)C[C@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C[NH2+]1 ZINC001246515582 1069654640 /nfs/dbraw/zinc/65/46/40/1069654640.db2.gz CKSAPXOIXIGFOH-JPHBTFASSA-N 2 2 472.546 -0.473 20 0 JBADLP CC[C@@]1(C(=O)OC)C[C@@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C[NH2+]1 ZINC001246515584 1069654426 /nfs/dbraw/zinc/65/44/26/1069654426.db2.gz CKSAPXOIXIGFOH-LDQAXMLRSA-N 2 2 472.546 -0.473 20 0 JBADLP CC[C@]1(C(=O)OC)C[C@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C[NH2+]1 ZINC001246515585 1069655400 /nfs/dbraw/zinc/65/54/00/1069655400.db2.gz CKSAPXOIXIGFOH-YRAONVGVSA-N 2 2 472.546 -0.473 20 0 JBADLP CC[C@]1(C(=O)OC)C[C@@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C[NH2+]1 ZINC001246515586 1069655345 /nfs/dbraw/zinc/65/53/45/1069655345.db2.gz CKSAPXOIXIGFOH-ZQDYSYBYSA-N 2 2 472.546 -0.473 20 0 JBADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C[NH2+]1 ZINC001246524073 1069655549 /nfs/dbraw/zinc/65/55/49/1069655549.db2.gz OYCYIALOFLJWNW-GTAWCEEGSA-N 2 2 486.573 -0.084 20 0 JBADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)C[NH2+]1 ZINC001246524075 1069655424 /nfs/dbraw/zinc/65/54/24/1069655424.db2.gz OYCYIALOFLJWNW-LEAZDLGRSA-N 2 2 486.573 -0.084 20 0 JBADLP COC(=O)C1C[C@@H]2CC(n3cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)c3)C[C@H](C1)[NH2+]2 ZINC001246526572 1069656383 /nfs/dbraw/zinc/65/63/83/1069656383.db2.gz VJBXKJBYYFSCAG-NKNNHUBMSA-N 2 2 498.584 -0.084 20 0 JBADLP CCOC(=O)[C@H]1CC[C@@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC)CO1 ZINC001246527132 1069656415 /nfs/dbraw/zinc/65/64/15/1069656415.db2.gz YIOBXNZCGHZDRH-LTIDMASMSA-N 2 2 456.588 -0.405 20 0 JBADLP CCOC(=O)[C@H]1CC[C@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC)CO1 ZINC001246527140 1069656342 /nfs/dbraw/zinc/65/63/42/1069656342.db2.gz YIOBXNZCGHZDRH-LUKYLMHMSA-N 2 2 456.588 -0.405 20 0 JBADLP CCOC(=O)[C@@H]1CC[C@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC)CO1 ZINC001246527142 1069656372 /nfs/dbraw/zinc/65/63/72/1069656372.db2.gz YIOBXNZCGHZDRH-QAETUUGQSA-N 2 2 456.588 -0.405 20 0 JBADLP CCOC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)NC)CO1 ZINC001246527144 1069656213 /nfs/dbraw/zinc/65/62/13/1069656213.db2.gz YIOBXNZCGHZDRH-QZWWFDLISA-N 2 2 456.588 -0.405 20 0 JBADLP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246669871 1069656363 /nfs/dbraw/zinc/65/63/63/1069656363.db2.gz CFJAXULWPKCFFP-ROKPMTFOSA-N 2 2 455.607 -0.052 20 0 JBADLP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246669871 1069656351 /nfs/dbraw/zinc/65/63/51/1069656351.db2.gz CFJAXULWPKCFFP-ROKPMTFOSA-N 2 2 455.607 -0.052 20 0 JBADLP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246669872 1069656476 /nfs/dbraw/zinc/65/64/76/1069656476.db2.gz CFJAXULWPKCFFP-SKPFHBQLSA-N 2 2 455.607 -0.052 20 0 JBADLP O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246669872 1069656469 /nfs/dbraw/zinc/65/64/69/1069656469.db2.gz CFJAXULWPKCFFP-SKPFHBQLSA-N 2 2 455.607 -0.052 20 0 JBADLP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](C3C[C@@H]4COC[C@H](C3)[NH2+]4)CC[C@@H]12 ZINC001246705929 1069657342 /nfs/dbraw/zinc/65/73/42/1069657342.db2.gz SZKYYRAQDZIDFI-WJJUKOQOSA-N 2 2 456.609 -0.519 20 0 JBADLP CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](C3C[C@@H]4COC[C@H](C3)[NH2+]4)CC[C@@H]12 ZINC001246705929 1069657338 /nfs/dbraw/zinc/65/73/38/1069657338.db2.gz SZKYYRAQDZIDFI-WJJUKOQOSA-N 2 2 456.609 -0.519 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)C2 ZINC001246728706 1069658714 /nfs/dbraw/zinc/65/87/14/1069658714.db2.gz IGDHVQMSRWXRRQ-FHWLQOOXSA-N 2 2 464.636 -0.069 20 0 JBADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN([C@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)C2 ZINC001246728731 1069658947 /nfs/dbraw/zinc/65/89/47/1069658947.db2.gz IGDHVQMSRWXRRQ-OTWHNJEPSA-N 2 2 464.636 -0.069 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)C2 ZINC001246728732 1069658877 /nfs/dbraw/zinc/65/88/77/1069658877.db2.gz IGDHVQMSRWXRRQ-QRVBRYPASA-N 2 2 464.636 -0.069 20 0 JBADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN([C@@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)C2 ZINC001246728735 1069658861 /nfs/dbraw/zinc/65/88/61/1069658861.db2.gz IGDHVQMSRWXRRQ-QYZOEREBSA-N 2 2 464.636 -0.069 20 0 JBADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)CC2 ZINC001246778571 1069661077 /nfs/dbraw/zinc/66/10/77/1069661077.db2.gz YWHJBVSDFUUNGL-RDJZCZTQSA-N 2 2 458.592 -0.332 20 0 JBADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN([C@H]1C[NH2+][C@H](C(=O)N3CCSC3)C1)CC2 ZINC001246778572 1069661782 /nfs/dbraw/zinc/66/17/82/1069661782.db2.gz YWHJBVSDFUUNGL-WBVHZDCISA-N 2 2 458.592 -0.332 20 0 JBADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CCN([C@H]2C[NH2+][C@H](C(=O)N4CCSC4)C2)CC3)cn1 ZINC001246784048 1069661847 /nfs/dbraw/zinc/66/18/47/1069661847.db2.gz YZSPTVFRVSYUTA-AEFFLSMTSA-N 2 2 458.592 -0.332 20 0 JBADLP Cn1cc(C(=O)NCc2c[nH+]c3n2CCN([C@@H]2C[NH2+][C@H](C(=O)N4CCSC4)C2)CC3)cn1 ZINC001246784049 1069661701 /nfs/dbraw/zinc/66/17/01/1069661701.db2.gz YZSPTVFRVSYUTA-WMZOPIPTSA-N 2 2 458.592 -0.332 20 0 JBADLP COC(=O)C1C[C@@H]2CC([N@H+]3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C[C@H](C1)[NH2+]2 ZINC001246833461 1069661988 /nfs/dbraw/zinc/66/19/88/1069661988.db2.gz PADIOWYLIVQXDD-MXLMJNFFSA-N 2 2 465.595 -0.345 20 0 JBADLP COC(=O)C1C[C@@H]2CC([N@@H+]3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C[C@H](C1)[NH2+]2 ZINC001246833461 1069661984 /nfs/dbraw/zinc/66/19/84/1069661984.db2.gz PADIOWYLIVQXDD-MXLMJNFFSA-N 2 2 465.595 -0.345 20 0 JBADLP COC(=O)[C@@H]1C[C@H]([NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C[C@@H]1C(=O)OC ZINC001246914084 1069661742 /nfs/dbraw/zinc/66/17/42/1069661742.db2.gz YQIKBMLJBYMYFA-JCECYMMASA-N 2 2 472.533 -0.057 20 0 JBADLP COC(=O)[C@@H]1C[C@@H]([NH+]2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)C[C@@H]1C(=O)OC ZINC001246914104 1069661671 /nfs/dbraw/zinc/66/16/71/1069661671.db2.gz YQIKBMLJBYMYFA-TXTZMMAHSA-N 2 2 472.533 -0.057 20 0 JBADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cn3c4ccc(S(N)(=O)=O)cc4oc3=O)CC2)CC1 ZINC001251394683 1069676376 /nfs/dbraw/zinc/67/63/76/1069676376.db2.gz AQNVVOLITJBXLG-UHFFFAOYSA-N 2 2 451.549 -0.083 20 0 JBADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001253182628 1069689455 /nfs/dbraw/zinc/68/94/55/1069689455.db2.gz RPEUPTXFSDBTRF-SBHAEUEKSA-N 2 2 460.641 -0.336 20 0 JBADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001253182628 1069689451 /nfs/dbraw/zinc/68/94/51/1069689451.db2.gz RPEUPTXFSDBTRF-SBHAEUEKSA-N 2 2 460.641 -0.336 20 0 JBADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001253182629 1069689588 /nfs/dbraw/zinc/68/95/88/1069689588.db2.gz RPEUPTXFSDBTRF-ZVDOUQERSA-N 2 2 460.641 -0.336 20 0 JBADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001253182629 1069689585 /nfs/dbraw/zinc/68/95/85/1069689585.db2.gz RPEUPTXFSDBTRF-ZVDOUQERSA-N 2 2 460.641 -0.336 20 0 JBADLP CCOC(=O)C[NH+]1CCC(n2cnc(C[C@H]([NH3+])C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)c2)CC1 ZINC001254401775 1069707022 /nfs/dbraw/zinc/70/70/22/1069707022.db2.gz CZBSOJWURIKWDZ-SFTDATJTSA-N 2 2 486.573 -0.129 20 0 JBADLP [NH3+][C@H]1[C@H](n2ccc(NC3C[C@@H]4COC[C@H](C3)[N@H+]4Cc3ccccc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001254997521 1069711026 /nfs/dbraw/zinc/71/10/26/1069711026.db2.gz FQVOVEJXCVYGJF-YJEGLONNSA-N 2 2 457.531 -0.501 20 0 JBADLP [NH3+][C@H]1[C@H](n2ccc(NC3C[C@@H]4COC[C@H](C3)[N@@H+]4Cc3ccccc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001254997521 1069711010 /nfs/dbraw/zinc/71/10/10/1069711010.db2.gz FQVOVEJXCVYGJF-YJEGLONNSA-N 2 2 457.531 -0.501 20 0 JBADLP CC[NH+](CC)CC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255955402 1069716732 /nfs/dbraw/zinc/71/67/32/1069716732.db2.gz SECCUGHSLNPUMA-NEWSRXKRSA-N 4 2 466.631 -0.739 20 0 JBADLP CC[NH+](CC)CC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001255955403 1069716439 /nfs/dbraw/zinc/71/64/39/1069716439.db2.gz SECCUGHSLNPUMA-WDSOQIARSA-N 4 2 466.631 -0.739 20 0 JBADLP COC(=O)[C@H]1C[C@@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CN1C(=O)OC(C)(C)C ZINC001256263796 1069719432 /nfs/dbraw/zinc/71/94/32/1069719432.db2.gz QZKOVLQAGNVYBA-LTIDMASMSA-N 2 2 478.550 -0.047 20 0 JBADLP COC(=O)[C@H]1C[C@H](n2c[nH+]cc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)CN1C(=O)OC(C)(C)C ZINC001256263797 1069719252 /nfs/dbraw/zinc/71/92/52/1069719252.db2.gz QZKOVLQAGNVYBA-LUKYLMHMSA-N 2 2 478.550 -0.047 20 0 JBADLP CCCCOC(=O)CC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001257392429 1069726295 /nfs/dbraw/zinc/72/62/95/1069726295.db2.gz XVJQNCZXGZQTGL-NEWSRXKRSA-N 3 2 495.625 -0.347 20 0 JBADLP CCCCOC(=O)CC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001257392430 1069726244 /nfs/dbraw/zinc/72/62/44/1069726244.db2.gz XVJQNCZXGZQTGL-WDSOQIARSA-N 3 2 495.625 -0.347 20 0 JBADLP CCOC(=O)CCC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258115561 1069732438 /nfs/dbraw/zinc/73/24/38/1069732438.db2.gz LHMALNWZOYVOFE-NJAFHUGGSA-N 3 2 481.598 -0.737 20 0 JBADLP CCOC(=O)CCC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258115562 1069732222 /nfs/dbraw/zinc/73/22/22/1069732222.db2.gz LHMALNWZOYVOFE-SZMVWBNQSA-N 3 2 481.598 -0.737 20 0 JBADLP CC[NH+](CC)CCC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258908416 1069735648 /nfs/dbraw/zinc/73/56/48/1069735648.db2.gz ZFSZRGYXPLGWMI-HOJAQTOUSA-N 4 2 480.658 -0.349 20 0 JBADLP CC[NH+](CC)CCC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001258908417 1069735920 /nfs/dbraw/zinc/73/59/20/1069735920.db2.gz ZFSZRGYXPLGWMI-IHPCNDPISA-N 4 2 480.658 -0.349 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC001286891191 1069816021 /nfs/dbraw/zinc/81/60/21/1069816021.db2.gz WAUADQOPLHRUQN-AOIWGVFYSA-N 2 2 482.655 -0.275 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC001286891191 1069815989 /nfs/dbraw/zinc/81/59/89/1069815989.db2.gz WAUADQOPLHRUQN-AOIWGVFYSA-N 2 2 482.655 -0.275 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC001286891194 1069816306 /nfs/dbraw/zinc/81/63/06/1069816306.db2.gz WAUADQOPLHRUQN-JENIJYKNSA-N 2 2 482.655 -0.275 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC001286891194 1069816271 /nfs/dbraw/zinc/81/62/71/1069816271.db2.gz WAUADQOPLHRUQN-JENIJYKNSA-N 2 2 482.655 -0.275 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC001286891196 1069816124 /nfs/dbraw/zinc/81/61/24/1069816124.db2.gz WAUADQOPLHRUQN-LNLFQRSKSA-N 2 2 482.655 -0.275 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC001286891196 1069816107 /nfs/dbraw/zinc/81/61/07/1069816107.db2.gz WAUADQOPLHRUQN-LNLFQRSKSA-N 2 2 482.655 -0.275 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC001286891203 1069816417 /nfs/dbraw/zinc/81/64/17/1069816417.db2.gz WAUADQOPLHRUQN-ZIFCJYIRSA-N 2 2 482.655 -0.275 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC001286891203 1069816396 /nfs/dbraw/zinc/81/63/96/1069816396.db2.gz WAUADQOPLHRUQN-ZIFCJYIRSA-N 2 2 482.655 -0.275 20 0 JBADLP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C[NH+]1CCOCC1 ZINC001288704851 1069869516 /nfs/dbraw/zinc/86/95/16/1069869516.db2.gz GDTDBQIPERNBAU-FGTMMUONSA-N 2 2 471.628 -0.623 20 0 JBADLP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C[NH+]1CCOCC1 ZINC001288704851 1069869494 /nfs/dbraw/zinc/86/94/94/1069869494.db2.gz GDTDBQIPERNBAU-FGTMMUONSA-N 2 2 471.628 -0.623 20 0 JBADLP C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001288704852 1069869646 /nfs/dbraw/zinc/86/96/46/1069869646.db2.gz GDTDBQIPERNBAU-KURKYZTESA-N 2 2 471.628 -0.623 20 0 JBADLP C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001288704852 1069869626 /nfs/dbraw/zinc/86/96/26/1069869626.db2.gz GDTDBQIPERNBAU-KURKYZTESA-N 2 2 471.628 -0.623 20 0 JBADLP C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1)C[NH+]1CCOCC1 ZINC001288704853 1069868996 /nfs/dbraw/zinc/86/89/96/1069868996.db2.gz GDTDBQIPERNBAU-KZNAEPCWSA-N 2 2 471.628 -0.623 20 0 JBADLP C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1)C[NH+]1CCOCC1 ZINC001288704853 1069868971 /nfs/dbraw/zinc/86/89/71/1069868971.db2.gz GDTDBQIPERNBAU-KZNAEPCWSA-N 2 2 471.628 -0.623 20 0 JBADLP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001288704854 1069869225 /nfs/dbraw/zinc/86/92/25/1069869225.db2.gz GDTDBQIPERNBAU-SQNIBIBYSA-N 2 2 471.628 -0.623 20 0 JBADLP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001288704854 1069869206 /nfs/dbraw/zinc/86/92/06/1069869206.db2.gz GDTDBQIPERNBAU-SQNIBIBYSA-N 2 2 471.628 -0.623 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001288789639 1069874599 /nfs/dbraw/zinc/87/45/99/1069874599.db2.gz FANHGOCNAZCZPL-KRWDZBQOSA-N 2 2 473.644 -0.233 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1([NH+](C)C)CCOCC1 ZINC001288789640 1069874675 /nfs/dbraw/zinc/87/46/75/1069874675.db2.gz FANHGOCNAZCZPL-QGZVFWFLSA-N 2 2 473.644 -0.233 20 0 JBADLP CC(C)[NH+]1CCC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001288792969 1069875570 /nfs/dbraw/zinc/87/55/70/1069875570.db2.gz UNEXVBNGQVDTTG-GOSISDBHSA-N 2 2 487.671 -0.108 20 0 JBADLP CC(C)[NH+]1CCC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)CC1 ZINC001288792971 1069875842 /nfs/dbraw/zinc/87/58/42/1069875842.db2.gz UNEXVBNGQVDTTG-SFHVURJKSA-N 2 2 487.671 -0.108 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288863195 1069899604 /nfs/dbraw/zinc/89/96/04/1069899604.db2.gz OIRSLSBYCIFVTQ-JXFKEZNVSA-N 2 2 464.596 -0.324 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288863195 1069899593 /nfs/dbraw/zinc/89/95/93/1069899593.db2.gz OIRSLSBYCIFVTQ-JXFKEZNVSA-N 2 2 464.596 -0.324 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288863197 1069898974 /nfs/dbraw/zinc/89/89/74/1069898974.db2.gz OIRSLSBYCIFVTQ-OXJNMPFZSA-N 2 2 464.596 -0.324 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288863197 1069898946 /nfs/dbraw/zinc/89/89/46/1069898946.db2.gz OIRSLSBYCIFVTQ-OXJNMPFZSA-N 2 2 464.596 -0.324 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001288863199 1069899236 /nfs/dbraw/zinc/89/92/36/1069899236.db2.gz OIRSLSBYCIFVTQ-OXQOHEQNSA-N 2 2 464.596 -0.324 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001288863199 1069899197 /nfs/dbraw/zinc/89/91/97/1069899197.db2.gz OIRSLSBYCIFVTQ-OXQOHEQNSA-N 2 2 464.596 -0.324 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001288863201 1069899527 /nfs/dbraw/zinc/89/95/27/1069899527.db2.gz OIRSLSBYCIFVTQ-UZLBHIALSA-N 2 2 464.596 -0.324 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001288863201 1069899516 /nfs/dbraw/zinc/89/95/16/1069899516.db2.gz OIRSLSBYCIFVTQ-UZLBHIALSA-N 2 2 464.596 -0.324 20 0 JBADLP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCOCC1 ZINC001288864784 1069900198 /nfs/dbraw/zinc/90/01/98/1069900198.db2.gz YSJHMCOJHFONDD-MSOLQXFVSA-N 2 2 485.655 -0.090 20 0 JBADLP C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCOCC1 ZINC001288864786 1069900244 /nfs/dbraw/zinc/90/02/44/1069900244.db2.gz YSJHMCOJHFONDD-QZTJIDSGSA-N 2 2 485.655 -0.090 20 0 JBADLP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCOCC1 ZINC001288864787 1069900863 /nfs/dbraw/zinc/90/08/63/1069900863.db2.gz YSJHMCOJHFONDD-ROUUACIJSA-N 2 2 485.655 -0.090 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001288864789 1069900903 /nfs/dbraw/zinc/90/09/03/1069900903.db2.gz YSJHMCOJHFONDD-ZWKOTPCHSA-N 2 2 485.655 -0.090 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001288869463 1069902778 /nfs/dbraw/zinc/90/27/78/1069902778.db2.gz HVRHJXLLUHTLIJ-MSOLQXFVSA-N 2 2 471.628 -0.479 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001288869463 1069902771 /nfs/dbraw/zinc/90/27/71/1069902771.db2.gz HVRHJXLLUHTLIJ-MSOLQXFVSA-N 2 2 471.628 -0.479 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001288869466 1069902972 /nfs/dbraw/zinc/90/29/72/1069902972.db2.gz HVRHJXLLUHTLIJ-QZTJIDSGSA-N 2 2 471.628 -0.479 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001288869466 1069902968 /nfs/dbraw/zinc/90/29/68/1069902968.db2.gz HVRHJXLLUHTLIJ-QZTJIDSGSA-N 2 2 471.628 -0.479 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001288869469 1069902756 /nfs/dbraw/zinc/90/27/56/1069902756.db2.gz HVRHJXLLUHTLIJ-ROUUACIJSA-N 2 2 471.628 -0.479 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001288869469 1069902752 /nfs/dbraw/zinc/90/27/52/1069902752.db2.gz HVRHJXLLUHTLIJ-ROUUACIJSA-N 2 2 471.628 -0.479 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001288869471 1069902913 /nfs/dbraw/zinc/90/29/13/1069902913.db2.gz HVRHJXLLUHTLIJ-ZWKOTPCHSA-N 2 2 471.628 -0.479 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCCC[NH+]1CCOCC1 ZINC001288869471 1069902910 /nfs/dbraw/zinc/90/29/10/1069902910.db2.gz HVRHJXLLUHTLIJ-ZWKOTPCHSA-N 2 2 471.628 -0.479 20 0 JBADLP C[NH+]1CCN(c2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccn2)CC1 ZINC001290817908 1069923813 /nfs/dbraw/zinc/92/38/13/1069923813.db2.gz NHDORIRYQHZADL-UHFFFAOYSA-N 2 2 451.597 -0.917 20 0 JBADLP Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292912081 1069954333 /nfs/dbraw/zinc/95/43/33/1069954333.db2.gz DVLMJAXERLZYDE-UHFFFAOYSA-N 2 2 451.593 -0.047 20 0 JBADLP CN(C(=O)CNS(=O)(=O)c1cccs1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292912340 1069954283 /nfs/dbraw/zinc/95/42/83/1069954283.db2.gz IZNKAOGSXOXZDB-UHFFFAOYSA-N 2 2 457.622 -0.277 20 0 JBADLP CCS(=O)(=O)N1CCC(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001292912414 1069954453 /nfs/dbraw/zinc/95/44/53/1069954453.db2.gz LFOPZHHPXYPZET-UHFFFAOYSA-N 2 2 457.641 -0.255 20 0 JBADLP CN(C(=O)c1ccc(CS(N)(=O)=O)cc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001292912730 1069954683 /nfs/dbraw/zinc/95/46/83/1069954683.db2.gz PDTJEAINIGJXFJ-UHFFFAOYSA-N 2 2 451.593 -0.215 20 0 JBADLP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296156885 1069996547 /nfs/dbraw/zinc/99/65/47/1069996547.db2.gz CYKVIQZBZMZJSP-FHWLQOOXSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296156885 1069996542 /nfs/dbraw/zinc/99/65/42/1069996542.db2.gz CYKVIQZBZMZJSP-FHWLQOOXSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296156890 1069996340 /nfs/dbraw/zinc/99/63/40/1069996340.db2.gz CYKVIQZBZMZJSP-OTWHNJEPSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H]1C ZINC001296156890 1069996333 /nfs/dbraw/zinc/99/63/33/1069996333.db2.gz CYKVIQZBZMZJSP-OTWHNJEPSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001296156896 1069996473 /nfs/dbraw/zinc/99/64/73/1069996473.db2.gz CYKVIQZBZMZJSP-QRVBRYPASA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001296156896 1069996472 /nfs/dbraw/zinc/99/64/72/1069996472.db2.gz CYKVIQZBZMZJSP-QRVBRYPASA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001296156902 1069996505 /nfs/dbraw/zinc/99/65/05/1069996505.db2.gz CYKVIQZBZMZJSP-QYZOEREBSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)C[C@H]1C ZINC001296156902 1069996496 /nfs/dbraw/zinc/99/64/96/1069996496.db2.gz CYKVIQZBZMZJSP-QYZOEREBSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296163518 1069997322 /nfs/dbraw/zinc/99/73/22/1069997322.db2.gz XSBDZVRQFLBVPT-FHWLQOOXSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296163518 1069997319 /nfs/dbraw/zinc/99/73/19/1069997319.db2.gz XSBDZVRQFLBVPT-FHWLQOOXSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296163518 1069997314 /nfs/dbraw/zinc/99/73/14/1069997314.db2.gz XSBDZVRQFLBVPT-FHWLQOOXSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001296163518 1069997310 /nfs/dbraw/zinc/99/73/10/1069997310.db2.gz XSBDZVRQFLBVPT-FHWLQOOXSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296163519 1069997016 /nfs/dbraw/zinc/99/70/16/1069997016.db2.gz XSBDZVRQFLBVPT-OTWHNJEPSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296163519 1069997011 /nfs/dbraw/zinc/99/70/11/1069997011.db2.gz XSBDZVRQFLBVPT-OTWHNJEPSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296163519 1069997007 /nfs/dbraw/zinc/99/70/07/1069997007.db2.gz XSBDZVRQFLBVPT-OTWHNJEPSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001296163519 1069997002 /nfs/dbraw/zinc/99/70/02/1069997002.db2.gz XSBDZVRQFLBVPT-OTWHNJEPSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001296163520 1069997292 /nfs/dbraw/zinc/99/72/92/1069997292.db2.gz XSBDZVRQFLBVPT-QRVBRYPASA-N 2 2 485.655 -0.138 20 0 JBADLP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001296163520 1069997288 /nfs/dbraw/zinc/99/72/88/1069997288.db2.gz XSBDZVRQFLBVPT-QRVBRYPASA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001296163520 1069997283 /nfs/dbraw/zinc/99/72/83/1069997283.db2.gz XSBDZVRQFLBVPT-QRVBRYPASA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001296163520 1069997280 /nfs/dbraw/zinc/99/72/80/1069997280.db2.gz XSBDZVRQFLBVPT-QRVBRYPASA-N 2 2 485.655 -0.138 20 0 JBADLP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296163521 1069996976 /nfs/dbraw/zinc/99/69/76/1069996976.db2.gz XSBDZVRQFLBVPT-QYZOEREBSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296163521 1069996973 /nfs/dbraw/zinc/99/69/73/1069996973.db2.gz XSBDZVRQFLBVPT-QYZOEREBSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296163521 1069996968 /nfs/dbraw/zinc/99/69/68/1069996968.db2.gz XSBDZVRQFLBVPT-QYZOEREBSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001296163521 1069996964 /nfs/dbraw/zinc/99/69/64/1069996964.db2.gz XSBDZVRQFLBVPT-QYZOEREBSA-N 2 2 485.655 -0.138 20 0 JBADLP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001296179970 1069997835 /nfs/dbraw/zinc/99/78/35/1069997835.db2.gz JNPKSBVWVSALGU-PMACEKPBSA-N 2 2 483.683 -0.025 20 0 JBADLP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001296179970 1069997832 /nfs/dbraw/zinc/99/78/32/1069997832.db2.gz JNPKSBVWVSALGU-PMACEKPBSA-N 2 2 483.683 -0.025 20 0 JBADLP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001296179971 1069998084 /nfs/dbraw/zinc/99/80/84/1069998084.db2.gz JNPKSBVWVSALGU-UXHICEINSA-N 2 2 483.683 -0.025 20 0 JBADLP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001296179971 1069998081 /nfs/dbraw/zinc/99/80/81/1069998081.db2.gz JNPKSBVWVSALGU-UXHICEINSA-N 2 2 483.683 -0.025 20 0 JBADLP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001296179972 1069997998 /nfs/dbraw/zinc/99/79/98/1069997998.db2.gz JNPKSBVWVSALGU-VQTJNVASSA-N 2 2 483.683 -0.025 20 0 JBADLP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001296179972 1069997996 /nfs/dbraw/zinc/99/79/96/1069997996.db2.gz JNPKSBVWVSALGU-VQTJNVASSA-N 2 2 483.683 -0.025 20 0 JBADLP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC[N@@H+](C)CCOC)C2)CC1 ZINC001296179973 1069997746 /nfs/dbraw/zinc/99/77/46/1069997746.db2.gz JNPKSBVWVSALGU-WOJBJXKFSA-N 2 2 483.683 -0.025 20 0 JBADLP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC[N@H+](C)CCOC)C2)CC1 ZINC001296179973 1069997741 /nfs/dbraw/zinc/99/77/41/1069997741.db2.gz JNPKSBVWVSALGU-WOJBJXKFSA-N 2 2 483.683 -0.025 20 0 JBADLP CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC001296192301 1070000080 /nfs/dbraw/zinc/00/00/80/1070000080.db2.gz CUVSAOOVRGWLOB-PMACEKPBSA-N 2 2 498.698 -0.173 20 0 JBADLP CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC001296192301 1070000064 /nfs/dbraw/zinc/00/00/64/1070000064.db2.gz CUVSAOOVRGWLOB-PMACEKPBSA-N 2 2 498.698 -0.173 20 0 JBADLP CCN1CC[NH+](CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC001296192301 1070000049 /nfs/dbraw/zinc/00/00/49/1070000049.db2.gz CUVSAOOVRGWLOB-PMACEKPBSA-N 2 2 498.698 -0.173 20 0 JBADLP CCN1CC[NH+](CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC001296192301 1070000023 /nfs/dbraw/zinc/00/00/23/1070000023.db2.gz CUVSAOOVRGWLOB-PMACEKPBSA-N 2 2 498.698 -0.173 20 0 JBADLP CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC001296192304 1069999867 /nfs/dbraw/zinc/99/98/67/1069999867.db2.gz CUVSAOOVRGWLOB-UXHICEINSA-N 2 2 498.698 -0.173 20 0 JBADLP CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC001296192304 1069999861 /nfs/dbraw/zinc/99/98/61/1069999861.db2.gz CUVSAOOVRGWLOB-UXHICEINSA-N 2 2 498.698 -0.173 20 0 JBADLP CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC001296192304 1069999855 /nfs/dbraw/zinc/99/98/55/1069999855.db2.gz CUVSAOOVRGWLOB-UXHICEINSA-N 2 2 498.698 -0.173 20 0 JBADLP CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC001296192304 1069999849 /nfs/dbraw/zinc/99/98/49/1069999849.db2.gz CUVSAOOVRGWLOB-UXHICEINSA-N 2 2 498.698 -0.173 20 0 JBADLP CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC001296192307 1069999750 /nfs/dbraw/zinc/99/97/50/1069999750.db2.gz CUVSAOOVRGWLOB-VQTJNVASSA-N 2 2 498.698 -0.173 20 0 JBADLP CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC001296192307 1069999742 /nfs/dbraw/zinc/99/97/42/1069999742.db2.gz CUVSAOOVRGWLOB-VQTJNVASSA-N 2 2 498.698 -0.173 20 0 JBADLP CCN1CC[NH+](CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC001296192307 1069999741 /nfs/dbraw/zinc/99/97/41/1069999741.db2.gz CUVSAOOVRGWLOB-VQTJNVASSA-N 2 2 498.698 -0.173 20 0 JBADLP CCN1CC[NH+](CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC001296192307 1069999735 /nfs/dbraw/zinc/99/97/35/1069999735.db2.gz CUVSAOOVRGWLOB-VQTJNVASSA-N 2 2 498.698 -0.173 20 0 JBADLP CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC001296192310 1069999954 /nfs/dbraw/zinc/99/99/54/1069999954.db2.gz CUVSAOOVRGWLOB-WOJBJXKFSA-N 2 2 498.698 -0.173 20 0 JBADLP CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC001296192310 1069999950 /nfs/dbraw/zinc/99/99/50/1069999950.db2.gz CUVSAOOVRGWLOB-WOJBJXKFSA-N 2 2 498.698 -0.173 20 0 JBADLP CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC001296192310 1069999946 /nfs/dbraw/zinc/99/99/46/1069999946.db2.gz CUVSAOOVRGWLOB-WOJBJXKFSA-N 2 2 498.698 -0.173 20 0 JBADLP CCN1CC[NH+](CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC001296192310 1069999944 /nfs/dbraw/zinc/99/99/44/1069999944.db2.gz CUVSAOOVRGWLOB-WOJBJXKFSA-N 2 2 498.698 -0.173 20 0 JBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001297955966 1070051779 /nfs/dbraw/zinc/05/17/79/1070051779.db2.gz YIKPNMNVKPUDKL-MOPGFXCFSA-N 2 2 476.626 -0.060 20 0 JBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001297955966 1070051770 /nfs/dbraw/zinc/05/17/70/1070051770.db2.gz YIKPNMNVKPUDKL-MOPGFXCFSA-N 2 2 476.626 -0.060 20 0 JBADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001297955967 1070052396 /nfs/dbraw/zinc/05/23/96/1070052396.db2.gz YIKPNMNVKPUDKL-OALUTQOASA-N 2 2 476.626 -0.060 20 0 JBADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001297955967 1070052382 /nfs/dbraw/zinc/05/23/82/1070052382.db2.gz YIKPNMNVKPUDKL-OALUTQOASA-N 2 2 476.626 -0.060 20 0 JBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001297955968 1070052090 /nfs/dbraw/zinc/05/20/90/1070052090.db2.gz YIKPNMNVKPUDKL-RBUKOAKNSA-N 2 2 476.626 -0.060 20 0 JBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001297955968 1070052070 /nfs/dbraw/zinc/05/20/70/1070052070.db2.gz YIKPNMNVKPUDKL-RBUKOAKNSA-N 2 2 476.626 -0.060 20 0 JBADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001297955969 1070052459 /nfs/dbraw/zinc/05/24/59/1070052459.db2.gz YIKPNMNVKPUDKL-RTBURBONSA-N 2 2 476.626 -0.060 20 0 JBADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001297955969 1070052446 /nfs/dbraw/zinc/05/24/46/1070052446.db2.gz YIKPNMNVKPUDKL-RTBURBONSA-N 2 2 476.626 -0.060 20 0 JBADLP CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CC=CCC1 ZINC001298738568 1070071926 /nfs/dbraw/zinc/07/19/26/1070071926.db2.gz KYXCDAQBIIEYJY-IBGZPJMESA-N 2 2 483.639 -0.359 20 0 JBADLP CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CC=CCC1 ZINC001298738568 1070071907 /nfs/dbraw/zinc/07/19/07/1070071907.db2.gz KYXCDAQBIIEYJY-IBGZPJMESA-N 2 2 483.639 -0.359 20 0 JBADLP CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CC=CCC1 ZINC001298738569 1070072553 /nfs/dbraw/zinc/07/25/53/1070072553.db2.gz KYXCDAQBIIEYJY-LJQANCHMSA-N 2 2 483.639 -0.359 20 0 JBADLP CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CC=CCC1 ZINC001298738569 1070072533 /nfs/dbraw/zinc/07/25/33/1070072533.db2.gz KYXCDAQBIIEYJY-LJQANCHMSA-N 2 2 483.639 -0.359 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001301763769 1070150264 /nfs/dbraw/zinc/15/02/64/1070150264.db2.gz JPHCNNMPVNJFMP-GOSISDBHSA-N 2 2 484.671 -0.170 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001301763774 1070150166 /nfs/dbraw/zinc/15/01/66/1070150166.db2.gz JPHCNNMPVNJFMP-SFHVURJKSA-N 2 2 484.671 -0.170 20 0 JBADLP COCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001301927038 1070176829 /nfs/dbraw/zinc/17/68/29/1070176829.db2.gz SZTWHTPFTTTWCZ-UHFFFAOYSA-N 2 2 462.599 -0.667 20 0 JBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)CC1 ZINC001301982842 1070185594 /nfs/dbraw/zinc/18/55/94/1070185594.db2.gz VDDNBOITQGIDKT-MOPGFXCFSA-N 2 2 476.626 -0.060 20 0 JBADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)CC1 ZINC001301982843 1070185800 /nfs/dbraw/zinc/18/58/00/1070185800.db2.gz VDDNBOITQGIDKT-OALUTQOASA-N 2 2 476.626 -0.060 20 0 JBADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)CC1 ZINC001301982844 1070185740 /nfs/dbraw/zinc/18/57/40/1070185740.db2.gz VDDNBOITQGIDKT-RBUKOAKNSA-N 2 2 476.626 -0.060 20 0 JBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC[NH+](C)C)CC1 ZINC001301982845 1070185684 /nfs/dbraw/zinc/18/56/84/1070185684.db2.gz VDDNBOITQGIDKT-RTBURBONSA-N 2 2 476.626 -0.060 20 0 JBADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001303049257 1070233007 /nfs/dbraw/zinc/23/30/07/1070233007.db2.gz CZVYGDDAMOYBQK-LEWJYISDSA-N 2 2 451.612 -0.388 20 0 JBADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303049257 1070232998 /nfs/dbraw/zinc/23/29/98/1070232998.db2.gz CZVYGDDAMOYBQK-LEWJYISDSA-N 2 2 451.612 -0.388 20 0 JBADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001303049258 1070232575 /nfs/dbraw/zinc/23/25/75/1070232575.db2.gz CZVYGDDAMOYBQK-NHCUHLMSSA-N 2 2 451.612 -0.388 20 0 JBADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303049258 1070232561 /nfs/dbraw/zinc/23/25/61/1070232561.db2.gz CZVYGDDAMOYBQK-NHCUHLMSSA-N 2 2 451.612 -0.388 20 0 JBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001303049259 1070232944 /nfs/dbraw/zinc/23/29/44/1070232944.db2.gz CZVYGDDAMOYBQK-RTWAWAEBSA-N 2 2 451.612 -0.388 20 0 JBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303049259 1070232939 /nfs/dbraw/zinc/23/29/39/1070232939.db2.gz CZVYGDDAMOYBQK-RTWAWAEBSA-N 2 2 451.612 -0.388 20 0 JBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001303049260 1070232649 /nfs/dbraw/zinc/23/26/49/1070232649.db2.gz CZVYGDDAMOYBQK-SFTDATJTSA-N 2 2 451.612 -0.388 20 0 JBADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001303049260 1070232634 /nfs/dbraw/zinc/23/26/34/1070232634.db2.gz CZVYGDDAMOYBQK-SFTDATJTSA-N 2 2 451.612 -0.388 20 0 JBADLP CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001303317268 1070239903 /nfs/dbraw/zinc/23/99/03/1070239903.db2.gz LOTGMCZEDJPNSI-MOPGFXCFSA-N 2 2 485.655 -0.138 20 0 JBADLP CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001303317268 1070239896 /nfs/dbraw/zinc/23/98/96/1070239896.db2.gz LOTGMCZEDJPNSI-MOPGFXCFSA-N 2 2 485.655 -0.138 20 0 JBADLP CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001303317269 1070240017 /nfs/dbraw/zinc/24/00/17/1070240017.db2.gz LOTGMCZEDJPNSI-OALUTQOASA-N 2 2 485.655 -0.138 20 0 JBADLP CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001303317269 1070240005 /nfs/dbraw/zinc/24/00/05/1070240005.db2.gz LOTGMCZEDJPNSI-OALUTQOASA-N 2 2 485.655 -0.138 20 0 JBADLP CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001303317270 1070240052 /nfs/dbraw/zinc/24/00/52/1070240052.db2.gz LOTGMCZEDJPNSI-RBUKOAKNSA-N 2 2 485.655 -0.138 20 0 JBADLP CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001303317270 1070240039 /nfs/dbraw/zinc/24/00/39/1070240039.db2.gz LOTGMCZEDJPNSI-RBUKOAKNSA-N 2 2 485.655 -0.138 20 0 JBADLP CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001303317271 1070239852 /nfs/dbraw/zinc/23/98/52/1070239852.db2.gz LOTGMCZEDJPNSI-RTBURBONSA-N 2 2 485.655 -0.138 20 0 JBADLP CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001303317271 1070239843 /nfs/dbraw/zinc/23/98/43/1070239843.db2.gz LOTGMCZEDJPNSI-RTBURBONSA-N 2 2 485.655 -0.138 20 0 JBADLP C[NH+]1CCN(CCCS(=O)(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC001309074355 1070348700 /nfs/dbraw/zinc/34/87/00/1070348700.db2.gz HEWJFCIBULYFAI-UHFFFAOYSA-N 2 2 459.657 -0.496 20 0 JBADLP C[NH+](C)C1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC001311381184 1070358571 /nfs/dbraw/zinc/35/85/71/1070358571.db2.gz PBPJEVHVZWSRPR-UHFFFAOYSA-N 2 2 454.597 -0.057 20 0 JBADLP Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)cn1C ZINC001312016291 1070362632 /nfs/dbraw/zinc/36/26/32/1070362632.db2.gz ZZIFEZOMYITPSN-KRWDZBQOSA-N 2 2 453.613 -0.087 20 0 JBADLP Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)cn1C ZINC001312016291 1070362612 /nfs/dbraw/zinc/36/26/12/1070362612.db2.gz ZZIFEZOMYITPSN-KRWDZBQOSA-N 2 2 453.613 -0.087 20 0 JBADLP Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)cn1C ZINC001312016292 1070362799 /nfs/dbraw/zinc/36/27/99/1070362799.db2.gz ZZIFEZOMYITPSN-QGZVFWFLSA-N 2 2 453.613 -0.087 20 0 JBADLP Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)cn1C ZINC001312016292 1070362784 /nfs/dbraw/zinc/36/27/84/1070362784.db2.gz ZZIFEZOMYITPSN-QGZVFWFLSA-N 2 2 453.613 -0.087 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001313705629 1070380737 /nfs/dbraw/zinc/38/07/37/1070380737.db2.gz VYPGKLJMEZDDSO-UHFFFAOYSA-N 2 2 498.636 -0.110 20 0 JBADLP CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001313900539 1070389206 /nfs/dbraw/zinc/38/92/06/1070389206.db2.gz PKOQRUBCMLIGQC-MOPGFXCFSA-N 2 2 485.655 -0.136 20 0 JBADLP CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001313900539 1070389190 /nfs/dbraw/zinc/38/91/90/1070389190.db2.gz PKOQRUBCMLIGQC-MOPGFXCFSA-N 2 2 485.655 -0.136 20 0 JBADLP CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001313900540 1070389008 /nfs/dbraw/zinc/38/90/08/1070389008.db2.gz PKOQRUBCMLIGQC-OALUTQOASA-N 2 2 485.655 -0.136 20 0 JBADLP CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001313900540 1070388988 /nfs/dbraw/zinc/38/89/88/1070388988.db2.gz PKOQRUBCMLIGQC-OALUTQOASA-N 2 2 485.655 -0.136 20 0 JBADLP CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001313900541 1070389460 /nfs/dbraw/zinc/38/94/60/1070389460.db2.gz PKOQRUBCMLIGQC-RBUKOAKNSA-N 2 2 485.655 -0.136 20 0 JBADLP CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001313900541 1070389442 /nfs/dbraw/zinc/38/94/42/1070389442.db2.gz PKOQRUBCMLIGQC-RBUKOAKNSA-N 2 2 485.655 -0.136 20 0 JBADLP CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001313900542 1070389684 /nfs/dbraw/zinc/38/96/84/1070389684.db2.gz PKOQRUBCMLIGQC-RTBURBONSA-N 2 2 485.655 -0.136 20 0 JBADLP CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001313900542 1070389671 /nfs/dbraw/zinc/38/96/71/1070389671.db2.gz PKOQRUBCMLIGQC-RTBURBONSA-N 2 2 485.655 -0.136 20 0 JBADLP CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC001313920065 1070390007 /nfs/dbraw/zinc/39/00/07/1070390007.db2.gz IARWSHMIGUIHBA-CEXWTWQISA-N 2 2 484.671 -0.565 20 0 JBADLP CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC001313920065 1070389988 /nfs/dbraw/zinc/38/99/88/1070389988.db2.gz IARWSHMIGUIHBA-CEXWTWQISA-N 2 2 484.671 -0.565 20 0 JBADLP CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@H]3C2)CC1 ZINC001313920066 1070390195 /nfs/dbraw/zinc/39/01/95/1070390195.db2.gz IARWSHMIGUIHBA-GUDVDZBRSA-N 2 2 484.671 -0.565 20 0 JBADLP CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@H]3C2)CC1 ZINC001313920066 1070390179 /nfs/dbraw/zinc/39/01/79/1070390179.db2.gz IARWSHMIGUIHBA-GUDVDZBRSA-N 2 2 484.671 -0.565 20 0 JBADLP CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC001313920118 1070389904 /nfs/dbraw/zinc/38/99/04/1070389904.db2.gz IARWSHMIGUIHBA-QRVBRYPASA-N 2 2 484.671 -0.565 20 0 JBADLP CC[NH+]1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC001313920118 1070389884 /nfs/dbraw/zinc/38/98/84/1070389884.db2.gz IARWSHMIGUIHBA-QRVBRYPASA-N 2 2 484.671 -0.565 20 0 JBADLP CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@H+]3CCOC[C@@H]3C2)CC1 ZINC001313920119 1070390392 /nfs/dbraw/zinc/39/03/92/1070390392.db2.gz IARWSHMIGUIHBA-QYZOEREBSA-N 2 2 484.671 -0.565 20 0 JBADLP CC[NH+]1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCOC[C@@H]3C2)CC1 ZINC001313920119 1070390371 /nfs/dbraw/zinc/39/03/71/1070390371.db2.gz IARWSHMIGUIHBA-QYZOEREBSA-N 2 2 484.671 -0.565 20 0 JBADLP CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001314499109 1070430190 /nfs/dbraw/zinc/43/01/90/1070430190.db2.gz WQONGRXWHYMESB-UHFFFAOYSA-N 2 2 476.626 -0.277 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001316122072 1070549884 /nfs/dbraw/zinc/54/98/84/1070549884.db2.gz XFNAVQRIENVMJP-DLBZAZTESA-N 2 2 459.617 -0.623 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001316122072 1070549878 /nfs/dbraw/zinc/54/98/78/1070549878.db2.gz XFNAVQRIENVMJP-DLBZAZTESA-N 2 2 459.617 -0.623 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001316122073 1070549545 /nfs/dbraw/zinc/54/95/45/1070549545.db2.gz XFNAVQRIENVMJP-IAGOWNOFSA-N 2 2 459.617 -0.623 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001316122073 1070549528 /nfs/dbraw/zinc/54/95/28/1070549528.db2.gz XFNAVQRIENVMJP-IAGOWNOFSA-N 2 2 459.617 -0.623 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001316122074 1070549615 /nfs/dbraw/zinc/54/96/15/1070549615.db2.gz XFNAVQRIENVMJP-IRXDYDNUSA-N 2 2 459.617 -0.623 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001316122074 1070549610 /nfs/dbraw/zinc/54/96/10/1070549610.db2.gz XFNAVQRIENVMJP-IRXDYDNUSA-N 2 2 459.617 -0.623 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001316122075 1070549851 /nfs/dbraw/zinc/54/98/51/1070549851.db2.gz XFNAVQRIENVMJP-SJORKVTESA-N 2 2 459.617 -0.623 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001316122075 1070549844 /nfs/dbraw/zinc/54/98/44/1070549844.db2.gz XFNAVQRIENVMJP-SJORKVTESA-N 2 2 459.617 -0.623 20 0 JBADLP COCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001316130300 1070550673 /nfs/dbraw/zinc/55/06/73/1070550673.db2.gz KQTSSCVSIBUUOZ-HKUYNNGSSA-N 2 2 462.599 -0.450 20 0 JBADLP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001316130300 1070550659 /nfs/dbraw/zinc/55/06/59/1070550659.db2.gz KQTSSCVSIBUUOZ-HKUYNNGSSA-N 2 2 462.599 -0.450 20 0 JBADLP COCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001316130301 1070550423 /nfs/dbraw/zinc/55/04/23/1070550423.db2.gz KQTSSCVSIBUUOZ-IEBWSBKVSA-N 2 2 462.599 -0.450 20 0 JBADLP COCC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001316130301 1070550408 /nfs/dbraw/zinc/55/04/08/1070550408.db2.gz KQTSSCVSIBUUOZ-IEBWSBKVSA-N 2 2 462.599 -0.450 20 0 JBADLP COCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001316130302 1070550525 /nfs/dbraw/zinc/55/05/25/1070550525.db2.gz KQTSSCVSIBUUOZ-MJGOQNOKSA-N 2 2 462.599 -0.450 20 0 JBADLP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001316130302 1070550518 /nfs/dbraw/zinc/55/05/18/1070550518.db2.gz KQTSSCVSIBUUOZ-MJGOQNOKSA-N 2 2 462.599 -0.450 20 0 JBADLP COCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001316130303 1070550802 /nfs/dbraw/zinc/55/08/02/1070550802.db2.gz KQTSSCVSIBUUOZ-PKOBYXMFSA-N 2 2 462.599 -0.450 20 0 JBADLP COCC[N@@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001316130303 1070550790 /nfs/dbraw/zinc/55/07/90/1070550790.db2.gz KQTSSCVSIBUUOZ-PKOBYXMFSA-N 2 2 462.599 -0.450 20 0 JBADLP CNC(=O)C[NH+]1CCC(NC(=O)CC2(CC(=O)NC3CC[NH+](CC(=O)NC)CC3)CCCC2)CC1 ZINC001318564617 1070609049 /nfs/dbraw/zinc/60/90/49/1070609049.db2.gz PXAGWRIJAYJPEZ-UHFFFAOYSA-N 2 2 492.665 -0.020 20 0 JBADLP C[NH+]1CCN(c2ccccc2CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001321563475 1070613514 /nfs/dbraw/zinc/61/35/14/1070613514.db2.gz LLVLARCFPITTJR-UHFFFAOYSA-N 2 2 479.651 -0.242 20 0 JBADLP CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C(=O)NC3CC[NH+](CC(=O)NC)CC3)s2)CC1 ZINC001330517492 1070625076 /nfs/dbraw/zinc/62/50/76/1070625076.db2.gz OPRCLMCOEMNKIP-UHFFFAOYSA-N 2 2 478.619 -0.372 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC[NH+]1CCSCC1 ZINC001360661769 1070745736 /nfs/dbraw/zinc/74/57/36/1070745736.db2.gz DTXJVCKZDLLAOR-INIZCTEOSA-N 2 2 461.658 -0.295 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC[NH+]1CCSCC1 ZINC001360661772 1070745907 /nfs/dbraw/zinc/74/59/07/1070745907.db2.gz DTXJVCKZDLLAOR-MRXNPFEDSA-N 2 2 461.658 -0.295 20 0 JBADLP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC001360680624 1070749024 /nfs/dbraw/zinc/74/90/24/1070749024.db2.gz GDIRSFMWYNYBGB-CEXWTWQISA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC001360680625 1070749477 /nfs/dbraw/zinc/74/94/77/1070749477.db2.gz GDIRSFMWYNYBGB-FHWLQOOXSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC001360680626 1070749558 /nfs/dbraw/zinc/74/95/58/1070749558.db2.gz GDIRSFMWYNYBGB-GBESFXJTSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCOCC1 ZINC001360680627 1070749783 /nfs/dbraw/zinc/74/97/83/1070749783.db2.gz GDIRSFMWYNYBGB-QYZOEREBSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360681848 1070749703 /nfs/dbraw/zinc/74/97/03/1070749703.db2.gz VGXSKZWVKZARCQ-CEXWTWQISA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360681848 1070749694 /nfs/dbraw/zinc/74/96/94/1070749694.db2.gz VGXSKZWVKZARCQ-CEXWTWQISA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360681849 1070750292 /nfs/dbraw/zinc/75/02/92/1070750292.db2.gz VGXSKZWVKZARCQ-FHWLQOOXSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360681849 1070750283 /nfs/dbraw/zinc/75/02/83/1070750283.db2.gz VGXSKZWVKZARCQ-FHWLQOOXSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360681850 1070750253 /nfs/dbraw/zinc/75/02/53/1070750253.db2.gz VGXSKZWVKZARCQ-GBESFXJTSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360681850 1070750241 /nfs/dbraw/zinc/75/02/41/1070750241.db2.gz VGXSKZWVKZARCQ-GBESFXJTSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360681851 1070750492 /nfs/dbraw/zinc/75/04/92/1070750492.db2.gz VGXSKZWVKZARCQ-QYZOEREBSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360681851 1070750484 /nfs/dbraw/zinc/75/04/84/1070750484.db2.gz VGXSKZWVKZARCQ-QYZOEREBSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCC[NH+]1CCOCC1 ZINC001360708947 1070767274 /nfs/dbraw/zinc/76/72/74/1070767274.db2.gz GRUDMOZPDOJERD-MOPGFXCFSA-N 2 2 485.655 -0.088 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CCC[NH+]1CCOCC1 ZINC001360708948 1070767458 /nfs/dbraw/zinc/76/74/58/1070767458.db2.gz GRUDMOZPDOJERD-OALUTQOASA-N 2 2 485.655 -0.088 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCC[NH+]1CCOCC1 ZINC001360708949 1070767230 /nfs/dbraw/zinc/76/72/30/1070767230.db2.gz GRUDMOZPDOJERD-RBUKOAKNSA-N 2 2 485.655 -0.088 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CCC[NH+]1CCOCC1 ZINC001360708950 1070767187 /nfs/dbraw/zinc/76/71/87/1070767187.db2.gz GRUDMOZPDOJERD-RTBURBONSA-N 2 2 485.655 -0.088 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCSCC1 ZINC001360709109 1070768033 /nfs/dbraw/zinc/76/80/33/1070768033.db2.gz JACCMJIIPDWJRI-CVEARBPZSA-N 2 2 459.642 -0.542 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCSCC1 ZINC001360709109 1070768025 /nfs/dbraw/zinc/76/80/25/1070768025.db2.gz JACCMJIIPDWJRI-CVEARBPZSA-N 2 2 459.642 -0.542 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCSCC1 ZINC001360709110 1070768064 /nfs/dbraw/zinc/76/80/64/1070768064.db2.gz JACCMJIIPDWJRI-HOTGVXAUSA-N 2 2 459.642 -0.542 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCSCC1 ZINC001360709110 1070768055 /nfs/dbraw/zinc/76/80/55/1070768055.db2.gz JACCMJIIPDWJRI-HOTGVXAUSA-N 2 2 459.642 -0.542 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCSCC1 ZINC001360709111 1070768115 /nfs/dbraw/zinc/76/81/15/1070768115.db2.gz JACCMJIIPDWJRI-HZPDHXFCSA-N 2 2 459.642 -0.542 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCSCC1 ZINC001360709111 1070768109 /nfs/dbraw/zinc/76/81/09/1070768109.db2.gz JACCMJIIPDWJRI-HZPDHXFCSA-N 2 2 459.642 -0.542 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCSCC1 ZINC001360709112 1070768198 /nfs/dbraw/zinc/76/81/98/1070768198.db2.gz JACCMJIIPDWJRI-JKSUJKDBSA-N 2 2 459.642 -0.542 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCSCC1 ZINC001360709112 1070768188 /nfs/dbraw/zinc/76/81/88/1070768188.db2.gz JACCMJIIPDWJRI-JKSUJKDBSA-N 2 2 459.642 -0.542 20 0 JBADLP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC001360709191 1070768697 /nfs/dbraw/zinc/76/86/97/1070768697.db2.gz KGDFIMUFRMNONV-CEXWTWQISA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC001360709192 1070768788 /nfs/dbraw/zinc/76/87/88/1070768788.db2.gz KGDFIMUFRMNONV-FHWLQOOXSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC001360709193 1070768874 /nfs/dbraw/zinc/76/88/74/1070768874.db2.gz KGDFIMUFRMNONV-GBESFXJTSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC001360709194 1070768970 /nfs/dbraw/zinc/76/89/70/1070768970.db2.gz KGDFIMUFRMNONV-QYZOEREBSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360709707 1070770894 /nfs/dbraw/zinc/77/08/94/1070770894.db2.gz PXOJPVPLDOAMND-CEXWTWQISA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360709707 1070770888 /nfs/dbraw/zinc/77/08/88/1070770888.db2.gz PXOJPVPLDOAMND-CEXWTWQISA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360709708 1070770973 /nfs/dbraw/zinc/77/09/73/1070770973.db2.gz PXOJPVPLDOAMND-FHWLQOOXSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360709708 1070770965 /nfs/dbraw/zinc/77/09/65/1070770965.db2.gz PXOJPVPLDOAMND-FHWLQOOXSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360709709 1070770738 /nfs/dbraw/zinc/77/07/38/1070770738.db2.gz PXOJPVPLDOAMND-GBESFXJTSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360709709 1070770723 /nfs/dbraw/zinc/77/07/23/1070770723.db2.gz PXOJPVPLDOAMND-GBESFXJTSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360709710 1070770843 /nfs/dbraw/zinc/77/08/43/1070770843.db2.gz PXOJPVPLDOAMND-QYZOEREBSA-N 2 2 485.655 -0.233 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360709710 1070770830 /nfs/dbraw/zinc/77/08/30/1070770830.db2.gz PXOJPVPLDOAMND-QYZOEREBSA-N 2 2 485.655 -0.233 20 0 JBADLP CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001443388766 1070801408 /nfs/dbraw/zinc/80/14/08/1070801408.db2.gz DSMZUZSWCWBIBX-GOSISDBHSA-N 2 2 455.600 -0.041 20 0 JBADLP CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001443388791 1070801299 /nfs/dbraw/zinc/80/12/99/1070801299.db2.gz DSMZUZSWCWBIBX-SFHVURJKSA-N 2 2 455.600 -0.041 20 0 JBADLP CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)N1CCCS1(=O)=O ZINC001443390880 1070802035 /nfs/dbraw/zinc/80/20/35/1070802035.db2.gz LMKSMAUXFCBFCH-FQEVSTJZSA-N 2 2 457.641 -0.257 20 0 JBADLP CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)N1CCCS1(=O)=O ZINC001443390887 1070801843 /nfs/dbraw/zinc/80/18/43/1070801843.db2.gz LMKSMAUXFCBFCH-HXUWFJFHSA-N 2 2 457.641 -0.257 20 0 JBADLP CN(C(=O)c1ccc(S(C)(=O)=O)cc1N)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001443391798 1070801501 /nfs/dbraw/zinc/80/15/01/1070801501.db2.gz NSDSYCZBKVDRDV-UHFFFAOYSA-N 2 2 451.593 -0.017 20 0 JBADLP CN(C(=O)CSCC(=O)N1CCOCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001443393544 1070801777 /nfs/dbraw/zinc/80/17/77/1070801777.db2.gz SFBTVYWUDFUZEH-UHFFFAOYSA-N 2 2 455.625 -0.725 20 0 JBADLP CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001443743762 1070803753 /nfs/dbraw/zinc/80/37/53/1070803753.db2.gz RZYZLUOJEYSDBV-KRWDZBQOSA-N 2 2 451.593 -0.049 20 0 JBADLP CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001443743762 1070803727 /nfs/dbraw/zinc/80/37/27/1070803727.db2.gz RZYZLUOJEYSDBV-KRWDZBQOSA-N 2 2 451.593 -0.049 20 0 JBADLP CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001443743765 1070803561 /nfs/dbraw/zinc/80/35/61/1070803561.db2.gz RZYZLUOJEYSDBV-QGZVFWFLSA-N 2 2 451.593 -0.049 20 0 JBADLP CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC001443743765 1070803532 /nfs/dbraw/zinc/80/35/32/1070803532.db2.gz RZYZLUOJEYSDBV-QGZVFWFLSA-N 2 2 451.593 -0.049 20 0 JBADLP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001459833726 1070842429 /nfs/dbraw/zinc/84/24/29/1070842429.db2.gz CYHOHXJMJCNNAI-KRWDZBQOSA-N 2 2 454.593 -0.460 20 0 JBADLP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001459833729 1070841577 /nfs/dbraw/zinc/84/15/77/1070841577.db2.gz CYHOHXJMJCNNAI-QGZVFWFLSA-N 2 2 454.593 -0.460 20 0 JBADLP CN(C(=O)CNS(=O)(=O)c1cccnc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464842199 1068220780 /nfs/dbraw/zinc/22/07/80/1068220780.db2.gz DCRHDNPNUGMJQP-UHFFFAOYSA-N 2 2 452.581 -0.943 20 0 JBADLP CN(C(=O)CCCN1C(=O)NC(C)(C)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001464847643 1068220653 /nfs/dbraw/zinc/22/06/53/1068220653.db2.gz XTTUMNPOPRWHCS-UHFFFAOYSA-N 2 2 450.584 -0.206 20 0 JBADLP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001473321420 1068259640 /nfs/dbraw/zinc/25/96/40/1068259640.db2.gz KOBDCTPGMIYRAA-INIZCTEOSA-N 2 2 452.577 -0.229 20 0 JBADLP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC001473321421 1068259746 /nfs/dbraw/zinc/25/97/46/1068259746.db2.gz KOBDCTPGMIYRAA-MRXNPFEDSA-N 2 2 452.577 -0.229 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001501906829 1068327549 /nfs/dbraw/zinc/32/75/49/1068327549.db2.gz OVNSRLFQAKMRAB-NRFANRHFSA-N 2 2 490.653 -0.064 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001501906833 1068327666 /nfs/dbraw/zinc/32/76/66/1068327666.db2.gz OVNSRLFQAKMRAB-OAQYLSRUSA-N 2 2 490.653 -0.064 20 0 JBADLP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@H](C)[NH+]3CCOCC3)C2)CC1 ZINC001502333796 1068341145 /nfs/dbraw/zinc/34/11/45/1068341145.db2.gz RIXDCDNSCBELJG-HSALFYBXSA-N 2 2 498.698 -0.175 20 0 JBADLP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H](C)[NH+]3CCOCC3)C2)CC1 ZINC001502333797 1068342165 /nfs/dbraw/zinc/34/21/65/1068342165.db2.gz RIXDCDNSCBELJG-SLFFLAALSA-N 2 2 498.698 -0.175 20 0 JBADLP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@H](C)[NH+]3CCOCC3)C2)CC1 ZINC001502333798 1068341558 /nfs/dbraw/zinc/34/15/58/1068341558.db2.gz RIXDCDNSCBELJG-VAMGGRTRSA-N 2 2 498.698 -0.175 20 0 JBADLP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H](C)[NH+]3CCOCC3)C2)CC1 ZINC001502333799 1068341811 /nfs/dbraw/zinc/34/18/11/1068341811.db2.gz RIXDCDNSCBELJG-XUVXKRRUSA-N 2 2 498.698 -0.175 20 0 JBADLP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC[NH+]3CCOCC3)C2)CC1 ZINC001502333885 1068341880 /nfs/dbraw/zinc/34/18/80/1068341880.db2.gz TUAXDYYTRXHFRU-PMACEKPBSA-N 2 2 498.698 -0.173 20 0 JBADLP CC[NH+]1CCN([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC[NH+]3CCOCC3)C2)CC1 ZINC001502333886 1068342083 /nfs/dbraw/zinc/34/20/83/1068342083.db2.gz TUAXDYYTRXHFRU-UXHICEINSA-N 2 2 498.698 -0.173 20 0 JBADLP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC[NH+]3CCOCC3)C2)CC1 ZINC001502333887 1068341645 /nfs/dbraw/zinc/34/16/45/1068341645.db2.gz TUAXDYYTRXHFRU-VQTJNVASSA-N 2 2 498.698 -0.173 20 0 JBADLP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC[NH+]3CCOCC3)C2)CC1 ZINC001502333888 1068341941 /nfs/dbraw/zinc/34/19/41/1068341941.db2.gz TUAXDYYTRXHFRU-WOJBJXKFSA-N 2 2 498.698 -0.173 20 0 JBADLP COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001504453666 1068459582 /nfs/dbraw/zinc/45/95/82/1068459582.db2.gz KJBAXEBXEUBEPL-GDBMZVCRSA-N 2 2 451.553 -0.139 20 0 JBADLP COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001504453666 1068459577 /nfs/dbraw/zinc/45/95/77/1068459577.db2.gz KJBAXEBXEUBEPL-GDBMZVCRSA-N 2 2 451.553 -0.139 20 0 JBADLP COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001504453668 1068459678 /nfs/dbraw/zinc/45/96/78/1068459678.db2.gz KJBAXEBXEUBEPL-GOEBONIOSA-N 2 2 451.553 -0.139 20 0 JBADLP COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001504453668 1068459672 /nfs/dbraw/zinc/45/96/72/1068459672.db2.gz KJBAXEBXEUBEPL-GOEBONIOSA-N 2 2 451.553 -0.139 20 0 JBADLP COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001504453670 1068459486 /nfs/dbraw/zinc/45/94/86/1068459486.db2.gz KJBAXEBXEUBEPL-HOCLYGCPSA-N 2 2 451.553 -0.139 20 0 JBADLP COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001504453670 1068459477 /nfs/dbraw/zinc/45/94/77/1068459477.db2.gz KJBAXEBXEUBEPL-HOCLYGCPSA-N 2 2 451.553 -0.139 20 0 JBADLP COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001504453672 1068459615 /nfs/dbraw/zinc/45/96/15/1068459615.db2.gz KJBAXEBXEUBEPL-ZBFHGGJFSA-N 2 2 451.553 -0.139 20 0 JBADLP COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001504453672 1068459611 /nfs/dbraw/zinc/45/96/11/1068459611.db2.gz KJBAXEBXEUBEPL-ZBFHGGJFSA-N 2 2 451.553 -0.139 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001515564722 1068690936 /nfs/dbraw/zinc/69/09/36/1068690936.db2.gz WZRXJQDLUZZFMZ-MOPGFXCFSA-N 2 2 476.626 -0.060 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001515564722 1068690926 /nfs/dbraw/zinc/69/09/26/1068690926.db2.gz WZRXJQDLUZZFMZ-MOPGFXCFSA-N 2 2 476.626 -0.060 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001515564724 1068691216 /nfs/dbraw/zinc/69/12/16/1068691216.db2.gz WZRXJQDLUZZFMZ-OALUTQOASA-N 2 2 476.626 -0.060 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001515564724 1068691207 /nfs/dbraw/zinc/69/12/07/1068691207.db2.gz WZRXJQDLUZZFMZ-OALUTQOASA-N 2 2 476.626 -0.060 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001515564725 1068691107 /nfs/dbraw/zinc/69/11/07/1068691107.db2.gz WZRXJQDLUZZFMZ-RBUKOAKNSA-N 2 2 476.626 -0.060 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001515564725 1068691099 /nfs/dbraw/zinc/69/10/99/1068691099.db2.gz WZRXJQDLUZZFMZ-RBUKOAKNSA-N 2 2 476.626 -0.060 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001515564726 1068690900 /nfs/dbraw/zinc/69/09/00/1068690900.db2.gz WZRXJQDLUZZFMZ-RTBURBONSA-N 2 2 476.626 -0.060 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001515564726 1068690884 /nfs/dbraw/zinc/69/08/84/1068690884.db2.gz WZRXJQDLUZZFMZ-RTBURBONSA-N 2 2 476.626 -0.060 20 0 JBADLP CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C ZINC001517013083 1068754244 /nfs/dbraw/zinc/75/42/44/1068754244.db2.gz ROCHJIWIWYDBPZ-GOSISDBHSA-N 2 2 487.671 -0.033 20 0 JBADLP CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C[NH+](C)C ZINC001517013085 1068754303 /nfs/dbraw/zinc/75/43/03/1068754303.db2.gz ROCHJIWIWYDBPZ-SFHVURJKSA-N 2 2 487.671 -0.033 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001519201284 1068844671 /nfs/dbraw/zinc/84/46/71/1068844671.db2.gz UXKTWBBDLJCKCC-KRWDZBQOSA-N 2 2 473.644 -0.233 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001519201284 1068844652 /nfs/dbraw/zinc/84/46/52/1068844652.db2.gz UXKTWBBDLJCKCC-KRWDZBQOSA-N 2 2 473.644 -0.233 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001519201297 1068844726 /nfs/dbraw/zinc/84/47/26/1068844726.db2.gz UXKTWBBDLJCKCC-QGZVFWFLSA-N 2 2 473.644 -0.233 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001519201297 1068844716 /nfs/dbraw/zinc/84/47/16/1068844716.db2.gz UXKTWBBDLJCKCC-QGZVFWFLSA-N 2 2 473.644 -0.233 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001541002204 1068925276 /nfs/dbraw/zinc/92/52/76/1068925276.db2.gz ADIZEBPJTXYWPV-GOSISDBHSA-N 2 2 484.671 -0.027 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001541002204 1068925275 /nfs/dbraw/zinc/92/52/75/1068925275.db2.gz ADIZEBPJTXYWPV-GOSISDBHSA-N 2 2 484.671 -0.027 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)C)CC2)CC1 ZINC001541002208 1068925727 /nfs/dbraw/zinc/92/57/27/1068925727.db2.gz ADIZEBPJTXYWPV-SFHVURJKSA-N 2 2 484.671 -0.027 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001541002208 1068925726 /nfs/dbraw/zinc/92/57/26/1068925726.db2.gz ADIZEBPJTXYWPV-SFHVURJKSA-N 2 2 484.671 -0.027 20 0 JBADLP CC(C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001541606977 1068941765 /nfs/dbraw/zinc/94/17/65/1068941765.db2.gz BQSXHNIDNQSUAQ-GOSISDBHSA-N 2 2 473.644 -0.280 20 0 JBADLP CC(C)[N@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001541606977 1068941760 /nfs/dbraw/zinc/94/17/60/1068941760.db2.gz BQSXHNIDNQSUAQ-GOSISDBHSA-N 2 2 473.644 -0.280 20 0 JBADLP CC(C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001541606978 1068941825 /nfs/dbraw/zinc/94/18/25/1068941825.db2.gz BQSXHNIDNQSUAQ-SFHVURJKSA-N 2 2 473.644 -0.280 20 0 JBADLP CC(C)[N@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001541606978 1068941822 /nfs/dbraw/zinc/94/18/22/1068941822.db2.gz BQSXHNIDNQSUAQ-SFHVURJKSA-N 2 2 473.644 -0.280 20 0 JBADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541672998 1068949305 /nfs/dbraw/zinc/94/93/05/1068949305.db2.gz GHIMRDPBTFHVHC-FDDCHVKYSA-N 2 2 476.626 -0.384 20 0 JBADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541672998 1068949299 /nfs/dbraw/zinc/94/92/99/1068949299.db2.gz GHIMRDPBTFHVHC-FDDCHVKYSA-N 2 2 476.626 -0.384 20 0 JBADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541672999 1068949373 /nfs/dbraw/zinc/94/93/73/1068949373.db2.gz GHIMRDPBTFHVHC-JPYJTQIMSA-N 2 2 476.626 -0.384 20 0 JBADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541672999 1068949367 /nfs/dbraw/zinc/94/93/67/1068949367.db2.gz GHIMRDPBTFHVHC-JPYJTQIMSA-N 2 2 476.626 -0.384 20 0 JBADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001541673000 1068949327 /nfs/dbraw/zinc/94/93/27/1068949327.db2.gz GHIMRDPBTFHVHC-MBSDFSHPSA-N 2 2 476.626 -0.384 20 0 JBADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001541673000 1068949325 /nfs/dbraw/zinc/94/93/25/1068949325.db2.gz GHIMRDPBTFHVHC-MBSDFSHPSA-N 2 2 476.626 -0.384 20 0 JBADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001541673001 1068949253 /nfs/dbraw/zinc/94/92/53/1068949253.db2.gz GHIMRDPBTFHVHC-WZONZLPQSA-N 2 2 476.626 -0.384 20 0 JBADLP CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001541673001 1068949252 /nfs/dbraw/zinc/94/92/52/1068949252.db2.gz GHIMRDPBTFHVHC-WZONZLPQSA-N 2 2 476.626 -0.384 20 0 JBADLP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541940929 1068970905 /nfs/dbraw/zinc/97/09/05/1068970905.db2.gz BJDVXIVDKFFIOS-BZSNNMDCSA-N 2 2 484.671 -0.029 20 0 JBADLP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541940930 1068970893 /nfs/dbraw/zinc/97/08/93/1068970893.db2.gz BJDVXIVDKFFIOS-FGTMMUONSA-N 2 2 484.671 -0.029 20 0 JBADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+](C)C)CC1 ZINC001541940931 1068970994 /nfs/dbraw/zinc/97/09/94/1068970994.db2.gz BJDVXIVDKFFIOS-OKZBNKHCSA-N 2 2 484.671 -0.029 20 0 JBADLP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1)[NH+](C)C ZINC001541940932 1068971011 /nfs/dbraw/zinc/97/10/11/1068971011.db2.gz BJDVXIVDKFFIOS-SQNIBIBYSA-N 2 2 484.671 -0.029 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001541945670 1068977758 /nfs/dbraw/zinc/97/77/58/1068977758.db2.gz KDGAZDBRCZHPLA-DLBZAZTESA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001541945670 1068977756 /nfs/dbraw/zinc/97/77/56/1068977756.db2.gz KDGAZDBRCZHPLA-DLBZAZTESA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541945670 1068977753 /nfs/dbraw/zinc/97/77/53/1068977753.db2.gz KDGAZDBRCZHPLA-DLBZAZTESA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541945670 1068977747 /nfs/dbraw/zinc/97/77/47/1068977747.db2.gz KDGAZDBRCZHPLA-DLBZAZTESA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001541945671 1068977827 /nfs/dbraw/zinc/97/78/27/1068977827.db2.gz KDGAZDBRCZHPLA-IAGOWNOFSA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001541945671 1068977821 /nfs/dbraw/zinc/97/78/21/1068977821.db2.gz KDGAZDBRCZHPLA-IAGOWNOFSA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541945671 1068977818 /nfs/dbraw/zinc/97/78/18/1068977818.db2.gz KDGAZDBRCZHPLA-IAGOWNOFSA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541945671 1068977815 /nfs/dbraw/zinc/97/78/15/1068977815.db2.gz KDGAZDBRCZHPLA-IAGOWNOFSA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001541945672 1068977882 /nfs/dbraw/zinc/97/78/82/1068977882.db2.gz KDGAZDBRCZHPLA-IRXDYDNUSA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001541945672 1068977879 /nfs/dbraw/zinc/97/78/79/1068977879.db2.gz KDGAZDBRCZHPLA-IRXDYDNUSA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541945672 1068977877 /nfs/dbraw/zinc/97/78/77/1068977877.db2.gz KDGAZDBRCZHPLA-IRXDYDNUSA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541945672 1068977875 /nfs/dbraw/zinc/97/78/75/1068977875.db2.gz KDGAZDBRCZHPLA-IRXDYDNUSA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001541945673 1068978179 /nfs/dbraw/zinc/97/81/79/1068978179.db2.gz KDGAZDBRCZHPLA-SJORKVTESA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CC[NH+]1CCOC(C)(C)C1 ZINC001541945673 1068978176 /nfs/dbraw/zinc/97/81/76/1068978176.db2.gz KDGAZDBRCZHPLA-SJORKVTESA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541945673 1068978172 /nfs/dbraw/zinc/97/81/72/1068978172.db2.gz KDGAZDBRCZHPLA-SJORKVTESA-N 2 2 471.628 -0.480 20 0 JBADLP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCOC[C@@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541945673 1068978168 /nfs/dbraw/zinc/97/81/68/1068978168.db2.gz KDGAZDBRCZHPLA-SJORKVTESA-N 2 2 471.628 -0.480 20 0 JBADLP CN(C(=O)CNS(=O)(=O)c1ccccc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001542905936 1068988481 /nfs/dbraw/zinc/98/84/81/1068988481.db2.gz LDPDGLADVLOCQF-UHFFFAOYSA-N 2 2 451.593 -0.338 20 0 JBADLP CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001542905958 1068988527 /nfs/dbraw/zinc/98/85/27/1068988527.db2.gz LNYIUMHUWSEFEU-HXUWFJFHSA-N 2 2 457.641 -0.210 20 0 JBADLP Cc1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)ccc1S(N)(=O)=O ZINC001542906255 1068988541 /nfs/dbraw/zinc/98/85/41/1068988541.db2.gz WMNFBLYYRFHHDS-UHFFFAOYSA-N 2 2 451.593 -0.047 20 0 JBADLP CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C ZINC001554301679 1069134244 /nfs/dbraw/zinc/13/42/44/1069134244.db2.gz BXILYUIXQFGXBJ-MOPGFXCFSA-N 2 2 485.655 -0.280 20 0 JBADLP CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001554301680 1069133928 /nfs/dbraw/zinc/13/39/28/1069133928.db2.gz BXILYUIXQFGXBJ-OALUTQOASA-N 2 2 485.655 -0.280 20 0 JBADLP CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001554301681 1069134406 /nfs/dbraw/zinc/13/44/06/1069134406.db2.gz BXILYUIXQFGXBJ-RBUKOAKNSA-N 2 2 485.655 -0.280 20 0 JBADLP CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C1CC1)[NH+](C)C ZINC001554301682 1069134517 /nfs/dbraw/zinc/13/45/17/1069134517.db2.gz BXILYUIXQFGXBJ-RTBURBONSA-N 2 2 485.655 -0.280 20 0 JBADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001559538628 1069271354 /nfs/dbraw/zinc/27/13/54/1069271354.db2.gz COEKYPULJVGTCH-UHFFFAOYSA-N 2 2 457.641 -0.207 20 0 JBADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001559667880 1069273757 /nfs/dbraw/zinc/27/37/57/1069273757.db2.gz IXJKSDMSTPUADE-IBGZPJMESA-N 2 2 451.593 -0.203 20 0 JBADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001559667880 1069273750 /nfs/dbraw/zinc/27/37/50/1069273750.db2.gz IXJKSDMSTPUADE-IBGZPJMESA-N 2 2 451.593 -0.203 20 0 JBADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001559667881 1069273432 /nfs/dbraw/zinc/27/34/32/1069273432.db2.gz IXJKSDMSTPUADE-LJQANCHMSA-N 2 2 451.593 -0.203 20 0 JBADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001559667881 1069273417 /nfs/dbraw/zinc/27/34/17/1069273417.db2.gz IXJKSDMSTPUADE-LJQANCHMSA-N 2 2 451.593 -0.203 20 0 JBADLP C[NH+]1CCN(C(=O)CNC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC001562327128 1069286158 /nfs/dbraw/zinc/28/61/58/1069286158.db2.gz NQVODDAXAVOYIR-UHFFFAOYSA-N 2 2 452.581 -0.092 20 0 JBADLP C[NH+]1CCN(C(=O)CNC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1 ZINC001562327128 1069286141 /nfs/dbraw/zinc/28/61/41/1069286141.db2.gz NQVODDAXAVOYIR-UHFFFAOYSA-N 2 2 452.581 -0.092 20 0 JBADLP CN(C(=O)Cc1ccc(S(N)(=O)=O)s1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595173 1069294276 /nfs/dbraw/zinc/29/42/76/1069294276.db2.gz DCUJBSLQHGBLBK-UHFFFAOYSA-N 2 2 457.622 -0.365 20 0 JBADLP CN(C(=O)CC1CCN(S(C)(=O)=O)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595183 1069294354 /nfs/dbraw/zinc/29/43/54/1069294354.db2.gz DJNHNUBEQDXTGN-UHFFFAOYSA-N 2 2 457.641 -0.255 20 0 JBADLP CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001565595289 1069294445 /nfs/dbraw/zinc/29/44/45/1069294445.db2.gz HXZOOLAMWGRILR-GOSISDBHSA-N 2 2 457.641 -0.255 20 0 JBADLP CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001565595290 1069294502 /nfs/dbraw/zinc/29/45/02/1069294502.db2.gz HXZOOLAMWGRILR-SFHVURJKSA-N 2 2 457.641 -0.255 20 0 JBADLP CN(C(=O)C1(O)CN(C(=O)OC(C)(C)C)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595305 1069294208 /nfs/dbraw/zinc/29/42/08/1069294208.db2.gz ITCHNEMDVQFDOV-UHFFFAOYSA-N 2 2 453.584 -0.335 20 0 JBADLP CN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595604 1069294175 /nfs/dbraw/zinc/29/41/75/1069294175.db2.gz SNDCMQNNPOPLEA-UHFFFAOYSA-N 2 2 459.547 -0.158 20 0 JBADLP CN(C(=O)c1cccc(CS(N)(=O)=O)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001565595669 1069294241 /nfs/dbraw/zinc/29/42/41/1069294241.db2.gz VWLIRUUSIGHWPD-UHFFFAOYSA-N 2 2 451.593 -0.215 20 0 JBADLP COC(=O)[C@@H]1CCCN(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC001565596335 1069294876 /nfs/dbraw/zinc/29/48/76/1069294876.db2.gz UIWSFOBVNVVTJM-GOSISDBHSA-N 2 2 451.568 -0.905 20 0 JBADLP COC(=O)[C@H]1CCCN(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC001565596336 1069295019 /nfs/dbraw/zinc/29/50/19/1069295019.db2.gz UIWSFOBVNVVTJM-SFHVURJKSA-N 2 2 451.568 -0.905 20 0 JBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001565608856 1069294830 /nfs/dbraw/zinc/29/48/30/1069294830.db2.gz WVMLNKJPZARLAF-UHFFFAOYSA-N 2 2 451.593 -0.095 20 0 JBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001565608856 1069294818 /nfs/dbraw/zinc/29/48/18/1069294818.db2.gz WVMLNKJPZARLAF-UHFFFAOYSA-N 2 2 451.593 -0.095 20 0 JBADLP CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC001565684211 1069296483 /nfs/dbraw/zinc/29/64/83/1069296483.db2.gz HTKUCVBHIRDILH-HNNXBMFYSA-N 2 2 457.622 -0.053 20 0 JBADLP CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC001565684211 1069296474 /nfs/dbraw/zinc/29/64/74/1069296474.db2.gz HTKUCVBHIRDILH-HNNXBMFYSA-N 2 2 457.622 -0.053 20 0 JBADLP CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC001565684212 1069296317 /nfs/dbraw/zinc/29/63/17/1069296317.db2.gz HTKUCVBHIRDILH-OAHLLOKOSA-N 2 2 457.622 -0.053 20 0 JBADLP CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC001565684212 1069296309 /nfs/dbraw/zinc/29/63/09/1069296309.db2.gz HTKUCVBHIRDILH-OAHLLOKOSA-N 2 2 457.622 -0.053 20 0 JBADLP CN(C(=O)c1ccc2c(c1)NC(=O)CNC2=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049128 1069311715 /nfs/dbraw/zinc/31/17/15/1069311715.db2.gz BOWXQYBGFGAPOO-UHFFFAOYSA-N 2 2 456.547 -0.321 20 0 JBADLP CN(C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049251 1069311857 /nfs/dbraw/zinc/31/18/57/1069311857.db2.gz HIAZQYJZXQJPDS-PKTZIBPZSA-N 2 2 472.590 -0.323 20 0 JBADLP CN(C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049363 1069311773 /nfs/dbraw/zinc/31/17/73/1069311773.db2.gz KVCVZDQTOFSKRB-GOSISDBHSA-N 2 2 459.595 -0.140 20 0 JBADLP CN(C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001585049366 1069311417 /nfs/dbraw/zinc/31/14/17/1069311417.db2.gz KVCVZDQTOFSKRB-SFHVURJKSA-N 2 2 459.595 -0.140 20 0 JBADLP CCC1(CC)NC(=O)N(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC001585049760 1069311575 /nfs/dbraw/zinc/31/15/75/1069311575.db2.gz QVHORCDJTRVFDC-UHFFFAOYSA-N 2 2 450.584 -0.206 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCC3)CC2)CC1 ZINC001596277392 1069345849 /nfs/dbraw/zinc/34/58/49/1069345849.db2.gz SSFLITTXHDQNQS-KRWDZBQOSA-N 2 2 482.655 -0.273 20 0 JBADLP CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCC3)CC2)CC1 ZINC001596277393 1069346099 /nfs/dbraw/zinc/34/60/99/1069346099.db2.gz SSFLITTXHDQNQS-QGZVFWFLSA-N 2 2 482.655 -0.273 20 0 JBADLP CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001608146916 1069373727 /nfs/dbraw/zinc/37/37/27/1069373727.db2.gz WZTVRSPKUQXYJA-MOPGFXCFSA-N 2 2 485.655 -0.138 20 0 JBADLP CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001608146917 1069373640 /nfs/dbraw/zinc/37/36/40/1069373640.db2.gz WZTVRSPKUQXYJA-OALUTQOASA-N 2 2 485.655 -0.138 20 0 JBADLP CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001608146918 1069373708 /nfs/dbraw/zinc/37/37/08/1069373708.db2.gz WZTVRSPKUQXYJA-RBUKOAKNSA-N 2 2 485.655 -0.138 20 0 JBADLP CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001608146919 1069373284 /nfs/dbraw/zinc/37/32/84/1069373284.db2.gz WZTVRSPKUQXYJA-RTBURBONSA-N 2 2 485.655 -0.138 20 0 JBADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615329457 1069481550 /nfs/dbraw/zinc/48/15/50/1069481550.db2.gz CQDGAKHNEICMIM-JOCHJYFZSA-N 2 2 459.599 -0.264 20 0 JBADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001615329457 1069481549 /nfs/dbraw/zinc/48/15/49/1069481549.db2.gz CQDGAKHNEICMIM-JOCHJYFZSA-N 2 2 459.599 -0.264 20 0 JBADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001615329459 1069482001 /nfs/dbraw/zinc/48/20/01/1069482001.db2.gz CQDGAKHNEICMIM-QFIPXVFZSA-N 2 2 459.599 -0.264 20 0 JBADLP CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001615329459 1069481994 /nfs/dbraw/zinc/48/19/94/1069481994.db2.gz CQDGAKHNEICMIM-QFIPXVFZSA-N 2 2 459.599 -0.264 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001615416058 1069483882 /nfs/dbraw/zinc/48/38/82/1069483882.db2.gz SXBPKEMOULFGPZ-MOPGFXCFSA-N 2 2 476.626 -0.060 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001615416059 1069484128 /nfs/dbraw/zinc/48/41/28/1069484128.db2.gz SXBPKEMOULFGPZ-OALUTQOASA-N 2 2 476.626 -0.060 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001615416060 1069483909 /nfs/dbraw/zinc/48/39/09/1069483909.db2.gz SXBPKEMOULFGPZ-RBUKOAKNSA-N 2 2 476.626 -0.060 20 0 JBADLP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001615416061 1069484141 /nfs/dbraw/zinc/48/41/41/1069484141.db2.gz SXBPKEMOULFGPZ-RTBURBONSA-N 2 2 476.626 -0.060 20 0 JBADLP CNS(=O)(=O)c1cccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001615429923 1069484713 /nfs/dbraw/zinc/48/47/13/1069484713.db2.gz UTIOTOPNEBJZGE-UHFFFAOYSA-N 2 2 451.593 -0.095 20 0 JBADLP CN(C(=O)CCn1nnc2ccccc2c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615429951 1069485455 /nfs/dbraw/zinc/48/54/55/1069485455.db2.gz VPPPERNGYQVORJ-UHFFFAOYSA-N 2 2 455.563 -0.122 20 0 JBADLP C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615430015 1069485415 /nfs/dbraw/zinc/48/54/15/1069485415.db2.gz XNFNICMIUVBYFI-DYESRHJHSA-N 2 2 451.612 -0.261 20 0 JBADLP C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615430016 1069485446 /nfs/dbraw/zinc/48/54/46/1069485446.db2.gz XNFNICMIUVBYFI-LAUBAEHRSA-N 2 2 451.612 -0.261 20 0 JBADLP C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615430017 1069485374 /nfs/dbraw/zinc/48/53/74/1069485374.db2.gz XNFNICMIUVBYFI-UTKZUKDTSA-N 2 2 451.612 -0.261 20 0 JBADLP C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001615430018 1069485402 /nfs/dbraw/zinc/48/54/02/1069485402.db2.gz XNFNICMIUVBYFI-UWJYYQICSA-N 2 2 451.612 -0.261 20 0 JBADLP Cc1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1S(N)(=O)=O ZINC001615430053 1069485470 /nfs/dbraw/zinc/48/54/70/1069485470.db2.gz YJHJWYJZXDOCPO-UHFFFAOYSA-N 2 2 451.593 -0.047 20 0 JBADLP COCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001619881118 1069630226 /nfs/dbraw/zinc/63/02/26/1069630226.db2.gz MVOUPDUKBVUADH-MOPGFXCFSA-N 2 2 470.640 -0.083 20 0 JBADLP COCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001619881118 1069630221 /nfs/dbraw/zinc/63/02/21/1069630221.db2.gz MVOUPDUKBVUADH-MOPGFXCFSA-N 2 2 470.640 -0.083 20 0 JBADLP COCC[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001619881119 1069630471 /nfs/dbraw/zinc/63/04/71/1069630471.db2.gz MVOUPDUKBVUADH-OALUTQOASA-N 2 2 470.640 -0.083 20 0 JBADLP COCC[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001619881119 1069630470 /nfs/dbraw/zinc/63/04/70/1069630470.db2.gz MVOUPDUKBVUADH-OALUTQOASA-N 2 2 470.640 -0.083 20 0 JBADLP COCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001619881120 1069630190 /nfs/dbraw/zinc/63/01/90/1069630190.db2.gz MVOUPDUKBVUADH-RBUKOAKNSA-N 2 2 470.640 -0.083 20 0 JBADLP COCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001619881120 1069630125 /nfs/dbraw/zinc/63/01/25/1069630125.db2.gz MVOUPDUKBVUADH-RBUKOAKNSA-N 2 2 470.640 -0.083 20 0 JBADLP COCC[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001619881121 1069630460 /nfs/dbraw/zinc/63/04/60/1069630460.db2.gz MVOUPDUKBVUADH-RTBURBONSA-N 2 2 470.640 -0.083 20 0 JBADLP COCC[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001619881121 1069630458 /nfs/dbraw/zinc/63/04/58/1069630458.db2.gz MVOUPDUKBVUADH-RTBURBONSA-N 2 2 470.640 -0.083 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001619934898 1069637486 /nfs/dbraw/zinc/63/74/86/1069637486.db2.gz PRQKLTPBZVGVLU-KRWDZBQOSA-N 2 2 473.644 -0.233 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001619934898 1069637481 /nfs/dbraw/zinc/63/74/81/1069637481.db2.gz PRQKLTPBZVGVLU-KRWDZBQOSA-N 2 2 473.644 -0.233 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001619934899 1069637448 /nfs/dbraw/zinc/63/74/48/1069637448.db2.gz PRQKLTPBZVGVLU-QGZVFWFLSA-N 2 2 473.644 -0.233 20 0 JBADLP COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001619934899 1069637447 /nfs/dbraw/zinc/63/74/47/1069637447.db2.gz PRQKLTPBZVGVLU-QGZVFWFLSA-N 2 2 473.644 -0.233 20 0 JBADLP COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001619942750 1069638065 /nfs/dbraw/zinc/63/80/65/1069638065.db2.gz KFGXJDMKEMDDAX-GOSISDBHSA-N 2 2 459.599 0.000 20 0 JBADLP COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1C ZINC001619942750 1069638055 /nfs/dbraw/zinc/63/80/55/1069638055.db2.gz KFGXJDMKEMDDAX-GOSISDBHSA-N 2 2 459.599 0.000 20 0 JBADLP COCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001619942751 1069638158 /nfs/dbraw/zinc/63/81/58/1069638158.db2.gz KFGXJDMKEMDDAX-SFHVURJKSA-N 2 2 459.599 0.000 20 0 JBADLP COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001619942751 1069638153 /nfs/dbraw/zinc/63/81/53/1069638153.db2.gz KFGXJDMKEMDDAX-SFHVURJKSA-N 2 2 459.599 0.000 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001625354690 1069711468 /nfs/dbraw/zinc/71/14/68/1069711468.db2.gz MLCLTQPTPCTIES-AABGKKOBSA-N 2 2 451.612 -0.140 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001625354695 1069711257 /nfs/dbraw/zinc/71/12/57/1069711257.db2.gz MLCLTQPTPCTIES-AQNXPRMDSA-N 2 2 451.612 -0.140 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001625354696 1069711301 /nfs/dbraw/zinc/71/13/01/1069711301.db2.gz MLCLTQPTPCTIES-UFYCRDLUSA-N 2 2 451.612 -0.140 20 0 JBADLP CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001625354697 1069711572 /nfs/dbraw/zinc/71/15/72/1069711572.db2.gz MLCLTQPTPCTIES-ZCNNSNEGSA-N 2 2 451.612 -0.140 20 0 JBADLP CNS(=O)(=O)c1ccc(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001627052657 1069717182 /nfs/dbraw/zinc/71/71/82/1069717182.db2.gz GLZWSSPTSCHRLG-UHFFFAOYSA-N 2 2 451.593 -0.095 20 0 JBADLP CN(C)S(=O)(=O)c1c[nH]c(C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001627053274 1069717148 /nfs/dbraw/zinc/71/71/48/1069717148.db2.gz OZCLRUNOSKCWSN-UHFFFAOYSA-N 2 2 454.597 -0.425 20 0 JBADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC001627584092 1069721782 /nfs/dbraw/zinc/72/17/82/1069721782.db2.gz YQTQHRCSBNPTDF-HNNXBMFYSA-N 2 2 458.606 -0.347 20 0 JBADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC001627584092 1069721771 /nfs/dbraw/zinc/72/17/71/1069721771.db2.gz YQTQHRCSBNPTDF-HNNXBMFYSA-N 2 2 458.606 -0.347 20 0 JBADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC001627584093 1069721957 /nfs/dbraw/zinc/72/19/57/1069721957.db2.gz YQTQHRCSBNPTDF-OAHLLOKOSA-N 2 2 458.606 -0.347 20 0 JBADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)C2)CC1 ZINC001627584093 1069721947 /nfs/dbraw/zinc/72/19/47/1069721947.db2.gz YQTQHRCSBNPTDF-OAHLLOKOSA-N 2 2 458.606 -0.347 20 0 JBADLP CN(C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001627657319 1069722676 /nfs/dbraw/zinc/72/26/76/1069722676.db2.gz JNSRWCURJNTTQW-HNNXBMFYSA-N 2 2 451.549 -0.131 20 0 JBADLP CN(C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001627657319 1069722663 /nfs/dbraw/zinc/72/26/63/1069722663.db2.gz JNSRWCURJNTTQW-HNNXBMFYSA-N 2 2 451.549 -0.131 20 0 JBADLP CN(C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001627657320 1069722586 /nfs/dbraw/zinc/72/25/86/1069722586.db2.gz JNSRWCURJNTTQW-OAHLLOKOSA-N 2 2 451.549 -0.131 20 0 JBADLP CN(C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001627657320 1069722576 /nfs/dbraw/zinc/72/25/76/1069722576.db2.gz JNSRWCURJNTTQW-OAHLLOKOSA-N 2 2 451.549 -0.131 20 0 JBADLP CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001628178938 1069725223 /nfs/dbraw/zinc/72/52/23/1069725223.db2.gz KBVLHOSRBXCQFJ-GOSISDBHSA-N 2 2 452.600 -0.911 20 0 JBADLP CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001628178946 1069725122 /nfs/dbraw/zinc/72/51/22/1069725122.db2.gz KBVLHOSRBXCQFJ-SFHVURJKSA-N 2 2 452.600 -0.911 20 0 JBADLP CN(C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001628179749 1069726390 /nfs/dbraw/zinc/72/63/90/1069726390.db2.gz QBIJFCXDQCHOIC-LEWJYISDSA-N 2 2 458.563 -0.346 20 0 JBADLP CN(C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001628179750 1069726357 /nfs/dbraw/zinc/72/63/57/1069726357.db2.gz QBIJFCXDQCHOIC-NHCUHLMSSA-N 2 2 458.563 -0.346 20 0 JBADLP CN(C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001628179751 1069726163 /nfs/dbraw/zinc/72/61/63/1069726163.db2.gz QBIJFCXDQCHOIC-RTWAWAEBSA-N 2 2 458.563 -0.346 20 0 JBADLP CN(C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001628179752 1069726304 /nfs/dbraw/zinc/72/63/04/1069726304.db2.gz QBIJFCXDQCHOIC-SFTDATJTSA-N 2 2 458.563 -0.346 20 0 JBADLP C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001628180300 1069726249 /nfs/dbraw/zinc/72/62/49/1069726249.db2.gz YOOMMMYOKONEOY-APWZRJJASA-N 2 2 455.600 -0.043 20 0 JBADLP CC[NH+](CC)CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001632005875 1069754257 /nfs/dbraw/zinc/75/42/57/1069754257.db2.gz TUQPEGKWZWYAMZ-MOPGFXCFSA-N 2 2 458.625 -0.475 20 0 JBADLP CC[NH+](CC)CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001632005876 1069754142 /nfs/dbraw/zinc/75/41/42/1069754142.db2.gz TUQPEGKWZWYAMZ-OALUTQOASA-N 2 2 458.625 -0.475 20 0 JBADLP CC[NH+](CC)CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001632005877 1069754010 /nfs/dbraw/zinc/75/40/10/1069754010.db2.gz TUQPEGKWZWYAMZ-RBUKOAKNSA-N 2 2 458.625 -0.475 20 0 JBADLP CC[NH+](CC)CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001632005878 1069754319 /nfs/dbraw/zinc/75/43/19/1069754319.db2.gz TUQPEGKWZWYAMZ-RTBURBONSA-N 2 2 458.625 -0.475 20 0 JBADLP CN(C(=O)CCCS(=O)(=O)N1CCCC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001632662614 1069760186 /nfs/dbraw/zinc/76/01/86/1069760186.db2.gz BPMIQILVRYULPX-UHFFFAOYSA-N 2 2 457.641 -0.111 20 0 JBADLP CN(C(=O)CN1CCCC2(CC2)S1(=O)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001632663199 1069760082 /nfs/dbraw/zinc/76/00/82/1069760082.db2.gz HFRVGVRSARQBJK-UHFFFAOYSA-N 2 2 455.625 -0.359 20 0 JBADLP CN(C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001632664460 1069760126 /nfs/dbraw/zinc/76/01/26/1069760126.db2.gz NSUJUIWFKGRPJC-UHFFFAOYSA-N 2 2 458.567 -0.302 20 0 JBADLP CN(C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001632665590 1069760152 /nfs/dbraw/zinc/76/01/52/1069760152.db2.gz WJDGYHYQSQIRTO-IBGZPJMESA-N 2 2 451.612 -0.043 20 0 JBADLP CN(C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001632665591 1069760035 /nfs/dbraw/zinc/76/00/35/1069760035.db2.gz WJDGYHYQSQIRTO-LJQANCHMSA-N 2 2 451.612 -0.043 20 0 JBADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001632734924 1069760861 /nfs/dbraw/zinc/76/08/61/1069760861.db2.gz SXFDXUHOTNFVOD-UHFFFAOYSA-N 2 2 451.593 -0.095 20 0 JBADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001632734924 1069760850 /nfs/dbraw/zinc/76/08/50/1069760850.db2.gz SXFDXUHOTNFVOD-UHFFFAOYSA-N 2 2 451.593 -0.095 20 0 JBADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001642354217 1069826345 /nfs/dbraw/zinc/82/63/45/1069826345.db2.gz KKTAZJLAXAJWQR-IBGZPJMESA-N 2 2 451.593 -0.379 20 0 JBADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001642354217 1069826331 /nfs/dbraw/zinc/82/63/31/1069826331.db2.gz KKTAZJLAXAJWQR-IBGZPJMESA-N 2 2 451.593 -0.379 20 0 JBADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001642354219 1069827125 /nfs/dbraw/zinc/82/71/25/1069827125.db2.gz KKTAZJLAXAJWQR-LJQANCHMSA-N 2 2 451.593 -0.379 20 0 JBADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001642354219 1069827109 /nfs/dbraw/zinc/82/71/09/1069827109.db2.gz KKTAZJLAXAJWQR-LJQANCHMSA-N 2 2 451.593 -0.379 20 0 JBADLP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001661393107 1069926357 /nfs/dbraw/zinc/92/63/57/1069926357.db2.gz VKNVHXPZNAKSPI-IBGZPJMESA-N 2 2 457.622 -0.061 20 0 JBADLP C[NH+](C)C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C[NH+](C)C ZINC001674100206 1069960544 /nfs/dbraw/zinc/96/05/44/1069960544.db2.gz XIMMAVFQTSWHCE-WOJBJXKFSA-N 3 2 481.667 -0.086 20 0 JBADLP C[NH+](C)CC[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC001676231414 1069965389 /nfs/dbraw/zinc/96/53/89/1069965389.db2.gz KTVOYRXFRSTNES-IBGZPJMESA-N 2 2 453.613 -0.106 20 0 JBADLP C[NH+](C)CC[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccnc1 ZINC001676231415 1069965486 /nfs/dbraw/zinc/96/54/86/1069965486.db2.gz KTVOYRXFRSTNES-LJQANCHMSA-N 2 2 453.613 -0.106 20 0 JBADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001677645399 1069968006 /nfs/dbraw/zinc/96/80/06/1069968006.db2.gz PLBITQLUDRMRHN-FQEVSTJZSA-N 2 2 459.595 -0.174 20 0 JBADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001677645399 1069968002 /nfs/dbraw/zinc/96/80/02/1069968002.db2.gz PLBITQLUDRMRHN-FQEVSTJZSA-N 2 2 459.595 -0.174 20 0 JBADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001677645400 1069967939 /nfs/dbraw/zinc/96/79/39/1069967939.db2.gz PLBITQLUDRMRHN-HXUWFJFHSA-N 2 2 459.595 -0.174 20 0 JBADLP O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001677645400 1069967934 /nfs/dbraw/zinc/96/79/34/1069967934.db2.gz PLBITQLUDRMRHN-HXUWFJFHSA-N 2 2 459.595 -0.174 20 0 JBADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001681524529 1069977702 /nfs/dbraw/zinc/97/77/02/1069977702.db2.gz HYZXSXIMQYIZAJ-KRWDZBQOSA-N 2 2 454.597 -0.322 20 0 JBADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001681524529 1069977698 /nfs/dbraw/zinc/97/76/98/1069977698.db2.gz HYZXSXIMQYIZAJ-KRWDZBQOSA-N 2 2 454.597 -0.322 20 0 JBADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001684836213 1069988873 /nfs/dbraw/zinc/98/88/73/1069988873.db2.gz IQOWXHSDSFXWSC-NRFANRHFSA-N 2 2 450.628 -0.021 20 0 JBADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001684836213 1069988871 /nfs/dbraw/zinc/98/88/71/1069988871.db2.gz IQOWXHSDSFXWSC-NRFANRHFSA-N 2 2 450.628 -0.021 20 0 JBADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001684836217 1069988995 /nfs/dbraw/zinc/98/89/95/1069988995.db2.gz IQOWXHSDSFXWSC-OAQYLSRUSA-N 2 2 450.628 -0.021 20 0 JBADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)CC2)CC1 ZINC001684836217 1069988990 /nfs/dbraw/zinc/98/89/90/1069988990.db2.gz IQOWXHSDSFXWSC-OAQYLSRUSA-N 2 2 450.628 -0.021 20 0 JBADLP