smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O[C@@H](COc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1)CN1CCN(c2ccccn2)CC1 ZINC000000820862 551544020 /nfs/dbraw/zinc/54/40/20/551544020.db2.gz YMFVLSLGXRHKJT-CLJLJLNGSA-N 1 1 548.688 1.600 50 0 KDAAMO O[C@H](COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1)CN1CCN(c2ccccn2)CC1 ZINC000000820863 551544033 /nfs/dbraw/zinc/54/40/33/551544033.db2.gz YMFVLSLGXRHKJT-UIOOFZCWSA-N 1 1 548.688 1.600 50 0 KDAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000002964821 552235848 /nfs/dbraw/zinc/23/58/48/552235848.db2.gz DLQTUWJCJZRTAI-UHFFFAOYSA-N 1 1 506.669 1.347 50 0 KDAAMO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[N@H+](CC)C4)cc2)CC1 ZINC000003007083 552254594 /nfs/dbraw/zinc/25/45/94/552254594.db2.gz VOYCHQCXKCMEFU-UHFFFAOYSA-N 1 1 549.675 1.940 50 0 KDAAMO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[N@@H+](CC)C4)cc2)CC1 ZINC000003007083 552254592 /nfs/dbraw/zinc/25/45/92/552254592.db2.gz VOYCHQCXKCMEFU-UHFFFAOYSA-N 1 1 549.675 1.940 50 0 KDAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)c2C(N)=O)C1 ZINC000004177761 552445358 /nfs/dbraw/zinc/44/53/58/552445358.db2.gz MTYDJQFETSLDJS-UHFFFAOYSA-N 1 1 524.665 1.761 50 0 KDAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)c2C(N)=O)C1 ZINC000004177761 552445356 /nfs/dbraw/zinc/44/53/56/552445356.db2.gz MTYDJQFETSLDJS-UHFFFAOYSA-N 1 1 524.665 1.761 50 0 KDAAMO O=C1c2ccccc2C(=O)N1CCOCCN1CCOCCOCC[NH+](CCOCCN2C(=O)c3ccccc3C2=O)CCOCCOCC1 ZINC000004577548 552468689 /nfs/dbraw/zinc/46/86/89/552468689.db2.gz UUCQFIYNCJLWBM-UHFFFAOYSA-N 1 1 696.798 1.296 50 0 KDAAMO COc1cc2[nH]c(=O)n(CCC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c(=O)c2cc1OC ZINC000004766629 552480562 /nfs/dbraw/zinc/48/05/62/552480562.db2.gz TVSHXPAVNPQZOL-UHFFFAOYSA-N 1 1 513.570 1.565 50 0 KDAAMO COc1cc2[nH]c(=O)n(CCCC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c(=O)c2cc1OC ZINC000004766662 552480543 /nfs/dbraw/zinc/48/05/43/552480543.db2.gz PRLMFCSMMNOUQE-UHFFFAOYSA-N 1 1 527.597 1.955 50 0 KDAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@H](O)COc3c(Br)cc(Br)cc3Br)c2c(=O)[nH]c1=O ZINC000005313249 552496822 /nfs/dbraw/zinc/49/68/22/552496822.db2.gz ZZWQZNZGDWHANW-LBPRGKRZSA-N 1 1 651.154 1.903 50 0 KDAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@@H](O)COc3c(Br)cc(Br)cc3Br)c2c(=O)[nH]c1=O ZINC000005313254 552496816 /nfs/dbraw/zinc/49/68/16/552496816.db2.gz ZZWQZNZGDWHANW-GFCCVEGCSA-N 1 1 651.154 1.903 50 0 KDAAMO Cn1c2nc(N3CC[NH+](CCO)CC3)n(C[C@H](O)COc3c(Br)cc(Br)cc3Br)c2c(=O)[nH]c1=O ZINC000005356707 552499317 /nfs/dbraw/zinc/49/93/17/552499317.db2.gz KCBYNSRFYWCWTI-ZDUSSCGKSA-N 1 1 681.180 1.265 50 0 KDAAMO Cn1c2nc(N3CC[NH+](CCO)CC3)n(C[C@@H](O)COc3c(Br)cc(Br)cc3Br)c2c(=O)[nH]c1=O ZINC000005356716 552499353 /nfs/dbraw/zinc/49/93/53/552499353.db2.gz KCBYNSRFYWCWTI-CYBMUJFWSA-N 1 1 681.180 1.265 50 0 KDAAMO CCCC[N@@H+](CC)CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008583393 553079334 /nfs/dbraw/zinc/07/93/34/553079334.db2.gz DPIGXTLKHMMHAB-UHFFFAOYSA-N 1 1 512.698 1.775 50 0 KDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008583397 553079288 /nfs/dbraw/zinc/07/92/88/553079288.db2.gz AKHMVYPHFWCPES-LJQANCHMSA-N 1 1 524.709 1.917 50 0 KDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008583398 553079299 /nfs/dbraw/zinc/07/92/99/553079299.db2.gz AKHMVYPHFWCPES-IBGZPJMESA-N 1 1 524.709 1.917 50 0 KDAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)C1 ZINC000008583412 553079613 /nfs/dbraw/zinc/07/96/13/553079613.db2.gz RQXIWFWHDCZRRC-GOSISDBHSA-N 1 1 510.682 1.384 50 0 KDAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)C1 ZINC000008583413 553079536 /nfs/dbraw/zinc/07/95/36/553079536.db2.gz RQXIWFWHDCZRRC-SFHVURJKSA-N 1 1 510.682 1.384 50 0 KDAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008583414 553079603 /nfs/dbraw/zinc/07/96/03/553079603.db2.gz HDYUILZCFRCOAU-GOSISDBHSA-N 1 1 510.682 1.527 50 0 KDAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008583415 553079618 /nfs/dbraw/zinc/07/96/18/553079618.db2.gz HDYUILZCFRCOAU-SFHVURJKSA-N 1 1 510.682 1.527 50 0 KDAAMO CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000008767068 553139390 /nfs/dbraw/zinc/13/93/90/553139390.db2.gz ZVDXJYALDKTVHK-JRXNCPAPSA-N 1 1 536.610 1.872 50 0 KDAAMO CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000008767077 553139370 /nfs/dbraw/zinc/13/93/70/553139370.db2.gz ZVDXJYALDKTVHK-ZBXXMNEPSA-N 1 1 536.610 1.872 50 0 KDAAMO CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[N@H+]3CCCC[C@@H]3CC)C2)CC1 ZINC000008812189 553149640 /nfs/dbraw/zinc/14/96/40/553149640.db2.gz YJWUPMHTSORPAR-RTWAWAEBSA-N 1 1 501.694 1.488 50 0 KDAAMO CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[N@H+]3CCCC[C@H]3CC)C2)CC1 ZINC000008812192 553149602 /nfs/dbraw/zinc/14/96/02/553149602.db2.gz YJWUPMHTSORPAR-NHCUHLMSSA-N 1 1 501.694 1.488 50 0 KDAAMO C[N@@H+](CCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)Cc1ccccc1 ZINC000008812266 553149574 /nfs/dbraw/zinc/14/95/74/553149574.db2.gz USFVHBJGWAKQSE-UHFFFAOYSA-N 1 1 518.661 1.394 50 0 KDAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000008812271 553149615 /nfs/dbraw/zinc/14/96/15/553149615.db2.gz LBISQKJPTYNEDW-HDICACEKSA-N 1 1 510.682 1.525 50 0 KDAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN2C(=O)CSc3ccc(S(=O)(=O)N4CCOCC4)cc32)C1 ZINC000008812280 553149811 /nfs/dbraw/zinc/14/98/11/553149811.db2.gz XBHJFHPGYGKTMI-KDURUIRLSA-N 1 1 524.709 1.630 50 0 KDAAMO CN(CC(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1)S(=O)(=O)c1cccc2nsnc21 ZINC000009692622 553298149 /nfs/dbraw/zinc/29/81/49/553298149.db2.gz MKDBDOYMUUNHDR-UHFFFAOYSA-N 1 1 506.629 1.779 50 0 KDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000009724675 553301527 /nfs/dbraw/zinc/30/15/27/553301527.db2.gz YDXZBNLATDNCSY-LJQANCHMSA-N 1 1 504.653 1.944 50 0 KDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O ZINC000009724683 553301518 /nfs/dbraw/zinc/30/15/18/553301518.db2.gz YDXZBNLATDNCSY-IBGZPJMESA-N 1 1 504.653 1.944 50 0 KDAAMO Cn1cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009724735 553301520 /nfs/dbraw/zinc/30/15/20/553301520.db2.gz GBZPFBCSFDHNSD-UHFFFAOYSA-N 1 1 504.653 1.944 50 0 KDAAMO Cn1cc(C(=O)NCC[N@@H+](C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009724752 553301499 /nfs/dbraw/zinc/30/14/99/553301499.db2.gz LWOIYBDOLAWJQV-UHFFFAOYSA-N 1 1 512.632 1.464 50 0 KDAAMO CCn1cc(C(=O)NCCC[N@H+]2CCC[C@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009726009 553301954 /nfs/dbraw/zinc/30/19/54/553301954.db2.gz PLBXKAQGSIBTDM-IBGZPJMESA-N 1 1 504.653 1.894 50 0 KDAAMO CCn1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000009726016 553301853 /nfs/dbraw/zinc/30/18/53/553301853.db2.gz PLBXKAQGSIBTDM-LJQANCHMSA-N 1 1 504.653 1.894 50 0 KDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O ZINC000009835141 553310381 /nfs/dbraw/zinc/31/03/81/553310381.db2.gz XXXLQICJLQHRCG-GOSISDBHSA-N 1 1 525.697 1.558 50 0 KDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O ZINC000009835143 553310363 /nfs/dbraw/zinc/31/03/63/553310363.db2.gz XXXLQICJLQHRCG-SFHVURJKSA-N 1 1 525.697 1.558 50 0 KDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000009963060 553320767 /nfs/dbraw/zinc/32/07/67/553320767.db2.gz KGGVHSIWNPOHPV-LJQANCHMSA-N 1 1 508.641 1.204 50 0 KDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000009963065 553320764 /nfs/dbraw/zinc/32/07/64/553320764.db2.gz KGGVHSIWNPOHPV-IBGZPJMESA-N 1 1 508.641 1.204 50 0 KDAAMO CC[C@@H](C)[N@@H+](CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)C1CCCCC1 ZINC000009963134 553321054 /nfs/dbraw/zinc/32/10/54/553321054.db2.gz SHVSVOHLQMHRKX-HXUWFJFHSA-N 1 1 536.695 1.982 50 0 KDAAMO CC[C@H](C)[N@@H+](CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)C1CCCCC1 ZINC000009963139 553321041 /nfs/dbraw/zinc/32/10/41/553321041.db2.gz SHVSVOHLQMHRKX-FQEVSTJZSA-N 1 1 536.695 1.982 50 0 KDAAMO CC[N@@H+](CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)Cc1ccccc1 ZINC000009963159 553320999 /nfs/dbraw/zinc/32/09/99/553320999.db2.gz LHTKSBPATUWOCA-UHFFFAOYSA-N 1 1 530.647 1.461 50 0 KDAAMO C[N@@H+](CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)C1CCCCC1 ZINC000009963169 553321037 /nfs/dbraw/zinc/32/10/37/553321037.db2.gz UOHVZRAFRYJTBX-UHFFFAOYSA-N 1 1 508.641 1.204 50 0 KDAAMO Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN3CCC(C(N)=O)([NH+]4CCCCC4)CC3)cc2)n1 ZINC000009972211 553323076 /nfs/dbraw/zinc/32/30/76/553323076.db2.gz DLOZAQJZEWWPKL-UHFFFAOYSA-N 1 1 515.640 1.330 50 0 KDAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000011812761 1066353147 /nfs/dbraw/zinc/35/31/47/1066353147.db2.gz BBEYEOXYNODSKH-QFIPXVFZSA-N 1 1 518.618 1.242 50 0 KDAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000011812765 1066353228 /nfs/dbraw/zinc/35/32/28/1066353228.db2.gz BBEYEOXYNODSKH-JOCHJYFZSA-N 1 1 518.618 1.242 50 0 KDAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1nc(Cn2cc(I)cn2)no1 ZINC000012429212 553366197 /nfs/dbraw/zinc/36/61/97/553366197.db2.gz LLCWJQOHURHPAH-UHFFFAOYSA-N 1 1 508.320 1.681 50 0 KDAAMO CCOc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000012561492 553394771 /nfs/dbraw/zinc/39/47/71/553394771.db2.gz KKLJZSNVVUPFJA-OAQYLSRUSA-N 1 1 505.637 1.668 50 0 KDAAMO CCOc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000012561494 553394698 /nfs/dbraw/zinc/39/46/98/553394698.db2.gz KKLJZSNVVUPFJA-NRFANRHFSA-N 1 1 505.637 1.668 50 0 KDAAMO O=C(NCCCN1CCOCC1)C(C(=O)NCCC[NH+]1CCOCC1)c1ncc(C(F)(F)F)cc1Cl ZINC000012955942 553429527 /nfs/dbraw/zinc/42/95/27/553429527.db2.gz QDTKFZJHHCHOCN-UHFFFAOYSA-N 1 1 535.995 1.514 50 0 KDAAMO CC(=O)Oc1cc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(OC(C)=O)c1OC(C)=O ZINC000013063192 553443549 /nfs/dbraw/zinc/44/35/49/553443549.db2.gz APJTZFYFVORUEN-UHFFFAOYSA-N 1 1 512.515 1.964 50 0 KDAAMO COc1cc(OC)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](C)CC2)c1 ZINC000013134765 553452501 /nfs/dbraw/zinc/45/25/01/553452501.db2.gz KQCAFIGXZVUILZ-UHFFFAOYSA-N 1 1 504.609 1.729 50 0 KDAAMO CC[C@@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCCC[NH+]1CCOCC1 ZINC000013624275 553478284 /nfs/dbraw/zinc/47/82/84/553478284.db2.gz VAUOABKPMJLDTJ-HXOBKFHXSA-N 1 1 500.596 1.733 50 0 KDAAMO CC[C@H](C)[C@H](NC(=O)c1cn(CC)c2cc3c(cc2c1=O)OCO3)C(=O)NCCC[NH+]1CCOCC1 ZINC000013624277 553478312 /nfs/dbraw/zinc/47/83/12/553478312.db2.gz VAUOABKPMJLDTJ-SBUREZEXSA-N 1 1 500.596 1.733 50 0 KDAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 ZINC000014943777 553521752 /nfs/dbraw/zinc/52/17/52/553521752.db2.gz RGAWAAOOJBIBGY-DWSYPVMBSA-N 1 1 508.962 1.538 50 0 KDAAMO COCC[N@H+]1CCc2nc3sc(SCC(=O)N4CCN(c5ccccc5)CC4)nn3c(=O)c2C1 ZINC000015414364 553532484 /nfs/dbraw/zinc/53/24/84/553532484.db2.gz SJNXBMAEHHPEHV-UHFFFAOYSA-N 1 1 500.650 1.596 50 0 KDAAMO CC[NH+]1CCN(C(=O)c2ccc(-n3nnnc3[C@H]3c4c(cc5c(c4OC)OCO5)CCN3C)cc2)CC1 ZINC000015414768 553532747 /nfs/dbraw/zinc/53/27/47/553532747.db2.gz SXVQSBBYAKOUTE-JOCHJYFZSA-N 1 1 505.579 1.755 50 0 biogenic KDAAMO CC[NH+]1CCN(C(=O)c2ccc(-n3nnnc3[C@@H]3c4c(cc5c(c4OC)OCO5)CCN3C)cc2)CC1 ZINC000015414770 553532696 /nfs/dbraw/zinc/53/26/96/553532696.db2.gz SXVQSBBYAKOUTE-QFIPXVFZSA-N 1 1 505.579 1.755 50 0 biogenic KDAAMO CC[NH+]1CCN(C(=O)c2ccccc2-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)CC1 ZINC000015415039 553532682 /nfs/dbraw/zinc/53/26/82/553532682.db2.gz IKXWHEPBUPMFGZ-JOCHJYFZSA-N 1 1 505.579 1.755 50 0 biogenic KDAAMO CC[NH+]1CCN(C(=O)c2ccccc2-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)CC1 ZINC000015415042 553532819 /nfs/dbraw/zinc/53/28/19/553532819.db2.gz IKXWHEPBUPMFGZ-QFIPXVFZSA-N 1 1 505.579 1.755 50 0 biogenic KDAAMO Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000015865900 553539213 /nfs/dbraw/zinc/53/92/13/553539213.db2.gz DBWFGVXETBERGR-UHFFFAOYSA-N 1 1 528.679 1.264 50 0 KDAAMO COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000015936427 553543104 /nfs/dbraw/zinc/54/31/04/553543104.db2.gz YOALVOHSYSHIFN-QJOMJCCJSA-N 1 1 525.631 1.849 50 0 KDAAMO CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000015936736 553543099 /nfs/dbraw/zinc/54/30/99/553543099.db2.gz PEAMAQLEQQSOSW-QHAWAJNXSA-N 1 1 501.694 1.202 50 0 KDAAMO CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2)CC1 ZINC000015936739 553543083 /nfs/dbraw/zinc/54/30/83/553543083.db2.gz PEAMAQLEQQSOSW-HBMCJLEFSA-N 1 1 501.694 1.202 50 0 KDAAMO CCOC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[N@H+]3CCCC[C@@H]3CC)C2)CC1 ZINC000015936742 553543085 /nfs/dbraw/zinc/54/30/85/553543085.db2.gz YJWUPMHTSORPAR-SFTDATJTSA-N 1 1 501.694 1.488 50 0 KDAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000015943902 553543607 /nfs/dbraw/zinc/54/36/07/553543607.db2.gz LHGCPCRAYHEKCF-KDURUIRLSA-N 1 1 508.641 1.202 50 0 KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1OC ZINC000015956736 553546341 /nfs/dbraw/zinc/54/63/41/553546341.db2.gz YOCPCFLXSNTXKR-WYMULPSZSA-N 1 1 526.977 1.504 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1OC ZINC000015956737 553546347 /nfs/dbraw/zinc/54/63/47/553546347.db2.gz YOCPCFLXSNTXKR-CPVJYWEUSA-N 1 1 526.977 1.504 50 0 biogenic KDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000015956946 553546269 /nfs/dbraw/zinc/54/62/69/553546269.db2.gz UBWNUSPDYLRFSV-GSONXBCMSA-N 1 1 510.934 1.626 50 0 biogenic KDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000015956947 553546292 /nfs/dbraw/zinc/54/62/92/553546292.db2.gz UBWNUSPDYLRFSV-QLEBEQNUSA-N 1 1 510.934 1.626 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1OC ZINC000015956987 553546352 /nfs/dbraw/zinc/54/63/52/553546352.db2.gz BWOSPXZFPDQYRC-WYMULPSZSA-N 1 1 526.977 1.504 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1OC ZINC000015956988 553546300 /nfs/dbraw/zinc/54/63/00/553546300.db2.gz BWOSPXZFPDQYRC-CPVJYWEUSA-N 1 1 526.977 1.504 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(Cl)ccc3NC2=O)cc1OC ZINC000015957421 553546277 /nfs/dbraw/zinc/54/62/77/553546277.db2.gz STXHGNGMSKBWBW-FAELBMERSA-N 1 1 512.950 1.196 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(Cl)ccc3NC2=O)cc1OC ZINC000015957422 553546316 /nfs/dbraw/zinc/54/63/16/553546316.db2.gz STXHGNGMSKBWBW-KAMWDBRHSA-N 1 1 512.950 1.196 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3ccc(C)c(C)c3NC2=O)cc1OC ZINC000015957944 553546305 /nfs/dbraw/zinc/54/63/05/553546305.db2.gz DXZWQYDLHZJHCH-RLLIMONSSA-N 1 1 506.559 1.159 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3ccc(C)c(C)c3NC2=O)cc1OC ZINC000015957945 553546544 /nfs/dbraw/zinc/54/65/44/553546544.db2.gz DXZWQYDLHZJHCH-WTLLVQHOSA-N 1 1 506.559 1.159 50 0 biogenic KDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000015958429 553546581 /nfs/dbraw/zinc/54/65/81/553546581.db2.gz VTGHXFNCEBBMSE-GSONXBCMSA-N 1 1 510.934 1.626 50 0 biogenic KDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000015958430 553546564 /nfs/dbraw/zinc/54/65/64/553546564.db2.gz VTGHXFNCEBBMSE-QLEBEQNUSA-N 1 1 510.934 1.626 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(C)cc(C)c3NC2=O)cc1OC ZINC000015959686 553546944 /nfs/dbraw/zinc/54/69/44/553546944.db2.gz ZILUMCFGNWJGCM-RLLIMONSSA-N 1 1 506.559 1.159 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(C)cc(C)c3NC2=O)cc1OC ZINC000015959687 553546937 /nfs/dbraw/zinc/54/69/37/553546937.db2.gz ZILUMCFGNWJGCM-WTLLVQHOSA-N 1 1 506.559 1.159 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@@]32c3cc(Cl)cc(C)c3NC2=O)cc1OC ZINC000015967555 553547162 /nfs/dbraw/zinc/54/71/62/553547162.db2.gz YFTHXKRDOWJZIO-WYMULPSZSA-N 1 1 526.977 1.504 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@@]32c3cc(Cl)cc(C)c3NC2=O)cc1OC ZINC000015967558 553547200 /nfs/dbraw/zinc/54/72/00/553547200.db2.gz YFTHXKRDOWJZIO-CPVJYWEUSA-N 1 1 526.977 1.504 50 0 biogenic KDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]21 ZINC000015968052 553547151 /nfs/dbraw/zinc/54/71/51/553547151.db2.gz IPOBZGPDCBNMIG-DVVWYOFYSA-N 1 1 506.559 1.105 50 0 biogenic KDAAMO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]21 ZINC000015968054 553547157 /nfs/dbraw/zinc/54/71/57/553547157.db2.gz IPOBZGPDCBNMIG-WTLLVQHOSA-N 1 1 506.559 1.105 50 0 biogenic KDAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]21 ZINC000015968056 553547198 /nfs/dbraw/zinc/54/71/98/553547198.db2.gz IPOBZGPDCBNMIG-OZLNXOMTSA-N 1 1 506.559 1.105 50 0 biogenic KDAAMO CCc1cccc2c1NC(=O)[C@]21[NH2+][C@H](CC(N)=O)[C@H]2C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)[C@H]21 ZINC000015968058 553547178 /nfs/dbraw/zinc/54/71/78/553547178.db2.gz IPOBZGPDCBNMIG-RLLIMONSSA-N 1 1 506.559 1.105 50 0 biogenic KDAAMO CCOc1cc(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)ccc1O ZINC000016040142 1066347377 /nfs/dbraw/zinc/34/73/77/1066347377.db2.gz GJFXPZKOXXFGFY-MOPGFXCFSA-N 1 1 508.575 1.651 50 0 KDAAMO O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)NCCC[N@H+]1CCc2ccccc2C1 ZINC000017357218 553594547 /nfs/dbraw/zinc/59/45/47/553594547.db2.gz ROXNAMIAPYSKCC-UHFFFAOYSA-N 1 1 544.699 1.711 50 0 KDAAMO COc1cccc(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)c1OC ZINC000019702895 553615294 /nfs/dbraw/zinc/61/52/94/553615294.db2.gz RMFKOAZRDBNMJJ-MJGOQNOKSA-N 1 1 508.575 1.564 50 0 KDAAMO COc1ccc(OC)c(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000019703194 553615322 /nfs/dbraw/zinc/61/53/22/553615322.db2.gz QUPGLVOQKHQZAE-MJGOQNOKSA-N 1 1 508.575 1.564 50 0 biogenic KDAAMO COC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](C[C@@H](O)COc3ccc(C(=O)OC)cc3)CC2)cc1 ZINC000019782353 553616349 /nfs/dbraw/zinc/61/63/49/553616349.db2.gz AFZYPTAGRSUKTR-FGZHOGPDSA-N 1 1 502.564 1.057 50 0 KDAAMO COC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(C(=O)OC)cc3)CC2)cc1 ZINC000019782354 553616304 /nfs/dbraw/zinc/61/63/04/553616304.db2.gz AFZYPTAGRSUKTR-VXKWHMMOSA-N 1 1 502.564 1.057 50 0 KDAAMO COc1ccc(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc1OC ZINC000019907257 553633051 /nfs/dbraw/zinc/63/30/51/553633051.db2.gz WSFFZISWFTVUEH-MOPGFXCFSA-N 1 1 508.575 1.564 50 0 KDAAMO CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020101161 553687179 /nfs/dbraw/zinc/68/71/79/553687179.db2.gz KFHNKRFRXGCYHO-DEOSSOPVSA-N 1 1 506.607 1.118 50 0 KDAAMO CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020101163 553687109 /nfs/dbraw/zinc/68/71/09/553687109.db2.gz KFHNKRFRXGCYHO-XMMPIXPASA-N 1 1 506.607 1.118 50 0 KDAAMO CCN1CC[NH+](CCCNC(=O)CCCNC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)CC1 ZINC000020103655 553687946 /nfs/dbraw/zinc/68/79/46/553687946.db2.gz SGJWRZQVNLWYIR-UHFFFAOYSA-N 1 1 502.685 1.377 50 0 KDAAMO COc1ccc(-n2nc(C(=O)NCC(=O)NCCC[NH+]3CCOCC3)c3ccccc3c2=O)cc1Cl ZINC000020104198 553688153 /nfs/dbraw/zinc/68/81/53/553688153.db2.gz PCRCXRXHWCAXEK-UHFFFAOYSA-N 1 1 513.982 1.616 50 0 KDAAMO COc1ccc(-n2nc(C(=O)NCC(=O)NCCC[NH+]3CCN(C)CC3)c3ccccc3c2=O)cc1Cl ZINC000020104205 553688198 /nfs/dbraw/zinc/68/81/98/553688198.db2.gz FJPPQOWBUXNNJW-UHFFFAOYSA-N 1 1 527.025 1.531 50 0 KDAAMO CCN1CC[NH+](CCCNC(=O)CNC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3ccccc32)CC1 ZINC000020107286 553690303 /nfs/dbraw/zinc/69/03/03/553690303.db2.gz PHXDYRKBQXYGDL-UHFFFAOYSA-N 1 1 506.607 1.268 50 0 KDAAMO Cc1sc2ncn(CC(=O)NCCC[NH+]3CCOCC3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 ZINC000020108765 553691777 /nfs/dbraw/zinc/69/17/77/553691777.db2.gz IOQKOSLBFNMNNS-UHFFFAOYSA-N 1 1 511.670 1.026 50 0 KDAAMO COc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=S)N(C)C2=O)cc1OC ZINC000020112220 553694223 /nfs/dbraw/zinc/69/42/23/553694223.db2.gz KAFUQFJBMPMKGE-RBUKOAKNSA-N 1 1 524.643 1.729 50 0 biogenic KDAAMO COc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=S)N(C)C2=O)c(OC)c1 ZINC000020112222 553694252 /nfs/dbraw/zinc/69/42/52/553694252.db2.gz KESKPSGBIQGYHJ-PKOBYXMFSA-N 1 1 524.643 1.729 50 0 biogenic KDAAMO Cc1sc2ncn(CC(=O)NCCC[NH+]3CCOCC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000020116877 553697594 /nfs/dbraw/zinc/69/75/94/553697594.db2.gz OQFVCEWUJDEZBL-IAGOWNOFSA-N 1 1 525.697 1.272 50 0 KDAAMO Cc1sc2ncn(CC(=O)NCCC[NH+]3CCOCC3)c(=O)c2c1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000020116879 553697667 /nfs/dbraw/zinc/69/76/67/553697667.db2.gz OQFVCEWUJDEZBL-CALCHBBNSA-N 1 1 525.697 1.272 50 0 KDAAMO Cc1sc2ncn(CC(=O)NCCC[NH+]3CCOCC3)c(=O)c2c1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000020116883 553697587 /nfs/dbraw/zinc/69/75/87/553697587.db2.gz OQFVCEWUJDEZBL-IRXDYDNUSA-N 1 1 525.697 1.272 50 0 KDAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000020255024 1066415863 /nfs/dbraw/zinc/41/58/63/1066415863.db2.gz DZSUHIUYXKEVFD-QHCPKHFHSA-N 1 1 508.619 1.891 50 0 KDAAMO C[N@H+](Cc1cccc(OCCN2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000020255028 1066209585 /nfs/dbraw/zinc/20/95/85/1066209585.db2.gz DZSUHIUYXKEVFD-HSZRJFAPSA-N 1 1 508.619 1.891 50 0 KDAAMO COc1ccccc1C(=O)N/C(=C\c1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)N1CC[NH+](C)CC1 ZINC000020438679 553648924 /nfs/dbraw/zinc/64/89/24/553648924.db2.gz HQDLONVESYXJQJ-XLNRJJMWSA-N 1 1 525.631 1.849 50 0 KDAAMO O=S(=O)(NCCCN1CC[NH+](CCCNS(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000020457998 553654045 /nfs/dbraw/zinc/65/40/45/553654045.db2.gz NJQPZZLMCCKMSR-UHFFFAOYSA-N 1 1 516.636 1.619 50 0 KDAAMO Cn1c2nc(NCc3ccccc3)n(C[C@@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000020458954 553654294 /nfs/dbraw/zinc/65/42/94/553654294.db2.gz UVJDDDIPNLVBEJ-QHCPKHFHSA-N 1 1 517.634 1.225 50 0 KDAAMO Cn1c2nc(NCc3ccccc3)n(C[C@H](O)C[NH+]3CCN(Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000020458957 553654271 /nfs/dbraw/zinc/65/42/71/553654271.db2.gz UVJDDDIPNLVBEJ-HSZRJFAPSA-N 1 1 517.634 1.225 50 0 KDAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000020533039 553670588 /nfs/dbraw/zinc/67/05/88/553670588.db2.gz DBEDRUPSHWVYRP-HSZRJFAPSA-N 1 1 506.669 1.347 50 0 KDAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000020533040 553670626 /nfs/dbraw/zinc/67/06/26/553670626.db2.gz DBEDRUPSHWVYRP-QHCPKHFHSA-N 1 1 506.669 1.347 50 0 KDAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N4CCC5(CC4)OCCO5)C3)cc2)CC1 ZINC000020533041 553670681 /nfs/dbraw/zinc/67/06/81/553670681.db2.gz MRLJLLCKSNOSPC-HSZRJFAPSA-N 1 1 535.711 1.558 50 0 KDAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)N4CCC5(CC4)OCCO5)C3)cc2)CC1 ZINC000020533042 553670671 /nfs/dbraw/zinc/67/06/71/553670671.db2.gz MRLJLLCKSNOSPC-QHCPKHFHSA-N 1 1 535.711 1.558 50 0 KDAAMO CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)C2)CC1 ZINC000020533137 553670759 /nfs/dbraw/zinc/67/07/59/553670759.db2.gz ZHYVMISRCCNQFG-RUZDIDTESA-N 1 1 505.729 1.999 50 0 KDAAMO CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)C2)CC1 ZINC000020533138 553670633 /nfs/dbraw/zinc/67/06/33/553670633.db2.gz ZHYVMISRCCNQFG-VWLOTQADSA-N 1 1 505.729 1.999 50 0 KDAAMO CCn1cc(C(=O)N[C@@H](CCSC)C(=O)NCCC[NH+]2CCOCC2)c(=O)c2cc3c(cc21)OCO3 ZINC000020589840 553676675 /nfs/dbraw/zinc/67/66/75/553676675.db2.gz SJNXVEKLJCEOEK-IBGZPJMESA-N 1 1 518.636 1.440 50 0 KDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000020610660 553678731 /nfs/dbraw/zinc/67/87/31/553678731.db2.gz UBWNUSPDYLRFSV-VDQVMUTISA-N 1 1 510.934 1.626 50 0 biogenic KDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(C)cc(Cl)c3NC2=O)cc1 ZINC000020610662 553678684 /nfs/dbraw/zinc/67/86/84/553678684.db2.gz UBWNUSPDYLRFSV-VDLCSRDCSA-N 1 1 510.934 1.626 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(Cl)ccc3NC2=O)cc1OC ZINC000020610891 553679029 /nfs/dbraw/zinc/67/90/29/553679029.db2.gz STXHGNGMSKBWBW-IJUKNHKESA-N 1 1 512.950 1.196 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(Cl)ccc3NC2=O)cc1OC ZINC000020610892 553679001 /nfs/dbraw/zinc/67/90/01/553679001.db2.gz STXHGNGMSKBWBW-DTHKZBPFSA-N 1 1 512.950 1.196 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3ccc(C)c(C)c3NC2=O)cc1OC ZINC000020611200 553679427 /nfs/dbraw/zinc/67/94/27/553679427.db2.gz DXZWQYDLHZJHCH-OZLNXOMTSA-N 1 1 506.559 1.159 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3ccc(C)c(C)c3NC2=O)cc1OC ZINC000020611202 553679325 /nfs/dbraw/zinc/67/93/25/553679325.db2.gz DXZWQYDLHZJHCH-DVVWYOFYSA-N 1 1 506.559 1.159 50 0 biogenic KDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000020611407 553679504 /nfs/dbraw/zinc/67/95/04/553679504.db2.gz VTGHXFNCEBBMSE-VDQVMUTISA-N 1 1 510.934 1.626 50 0 biogenic KDAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3ccc(Cl)c(C)c3NC2=O)cc1 ZINC000020611409 553679331 /nfs/dbraw/zinc/67/93/31/553679331.db2.gz VTGHXFNCEBBMSE-VDLCSRDCSA-N 1 1 510.934 1.626 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(C)cc(C)c3NC2=O)cc1OC ZINC000020611966 553679623 /nfs/dbraw/zinc/67/96/23/553679623.db2.gz ZILUMCFGNWJGCM-OZLNXOMTSA-N 1 1 506.559 1.159 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(C)cc(C)c3NC2=O)cc1OC ZINC000020611968 553679643 /nfs/dbraw/zinc/67/96/43/553679643.db2.gz ZILUMCFGNWJGCM-DVVWYOFYSA-N 1 1 506.559 1.159 50 0 biogenic KDAAMO CCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)c(=O)c2cc1OCC ZINC000020616820 553680065 /nfs/dbraw/zinc/68/00/65/553680065.db2.gz AJKMJEKQSSVCKX-UHFFFAOYSA-N 1 1 510.591 1.988 50 0 KDAAMO CCn1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCCC[NH+]2CCOCC2)c(=O)c2cc3c(cc21)OCO3 ZINC000020621805 553681101 /nfs/dbraw/zinc/68/11/01/553681101.db2.gz FJSOCOJEKNILRA-FQEVSTJZSA-N 1 1 500.596 1.733 50 0 KDAAMO Cc1ccccc1CS(=O)(=O)C[C@@H]1Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2NC1=O ZINC000020680478 553688014 /nfs/dbraw/zinc/68/80/14/553688014.db2.gz DDOBUCMXFNUEHK-QHCPKHFHSA-N 1 1 500.621 1.795 50 0 KDAAMO Cc1ccccc1CS(=O)(=O)C[C@H]1Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2NC1=O ZINC000020680483 553688243 /nfs/dbraw/zinc/68/82/43/553688243.db2.gz DDOBUCMXFNUEHK-HSZRJFAPSA-N 1 1 500.621 1.795 50 0 KDAAMO Cc1c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2oc1C(=O)NCCC[NH+]1CCOCC1 ZINC000020682884 553688302 /nfs/dbraw/zinc/68/83/02/553688302.db2.gz PXGWYJXYTZYNDN-UHFFFAOYSA-N 1 1 507.609 1.721 50 0 KDAAMO O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCCC3)cc21)NCCC[NH+]1CCOCC1 ZINC000020685634 553688599 /nfs/dbraw/zinc/68/85/99/553688599.db2.gz UTERLABOBLCRAY-UHFFFAOYSA-N 1 1 510.682 1.529 50 0 KDAAMO CCN1CC[NH+](CCCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc32)CC1 ZINC000020686695 553689396 /nfs/dbraw/zinc/68/93/96/553689396.db2.gz KYXCANCVFJMWBM-IBGZPJMESA-N 1 1 503.669 1.849 50 0 KDAAMO CCN1CC[NH+](CCCNC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc32)CC1 ZINC000020686701 553689207 /nfs/dbraw/zinc/68/92/07/553689207.db2.gz KYXCANCVFJMWBM-LJQANCHMSA-N 1 1 503.669 1.849 50 0 KDAAMO CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C(=O)CO2 ZINC000020737912 553694850 /nfs/dbraw/zinc/69/48/50/553694850.db2.gz VCDZZHGYGNVVQA-UHFFFAOYSA-N 1 1 500.621 1.787 50 0 KDAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000020760206 553695486 /nfs/dbraw/zinc/69/54/86/553695486.db2.gz MKXVCWDPNXXPEY-UHFFFAOYSA-N 1 1 526.663 1.948 50 0 KDAAMO CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020760546 553695907 /nfs/dbraw/zinc/69/59/07/553695907.db2.gz GSMIDBRFXVNYJY-HXUWFJFHSA-N 1 1 518.661 1.876 50 0 KDAAMO CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020760551 553695803 /nfs/dbraw/zinc/69/58/03/553695803.db2.gz GSMIDBRFXVNYJY-FQEVSTJZSA-N 1 1 518.661 1.876 50 0 KDAAMO COc1ccc(-c2cc3c(=O)n(CC(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)ncn3n2)cc1 ZINC000021017814 553705646 /nfs/dbraw/zinc/70/56/46/553705646.db2.gz IXFZAIVEVDGEHK-UHFFFAOYSA-N 1 1 515.618 1.891 50 0 KDAAMO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(C[C@H](O)COc3ccc(C(=O)OC)cc3)CC2)cc1 ZINC000022802769 553750986 /nfs/dbraw/zinc/75/09/86/553750986.db2.gz AFZYPTAGRSUKTR-SZPZYZBQSA-N 1 1 502.564 1.057 50 0 KDAAMO COC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(C(=O)OC)cc3)CC2)cc1 ZINC000022802769 553750983 /nfs/dbraw/zinc/75/09/83/553750983.db2.gz AFZYPTAGRSUKTR-SZPZYZBQSA-N 1 1 502.564 1.057 50 0 KDAAMO CCN1CC[NH+](CCCNC(=O)c2sc3ncn(CC(=O)N4CCCC[C@@H]4C)c(=O)c3c2C)CC1 ZINC000022810594 553751440 /nfs/dbraw/zinc/75/14/40/553751440.db2.gz YFJMWXBADOJKNF-SFHVURJKSA-N 1 1 502.685 1.925 50 0 KDAAMO CCN1CC[NH+](CCCNC(=O)c2sc3ncn(CC(=O)N4CCCC[C@H]4C)c(=O)c3c2C)CC1 ZINC000022810601 553751445 /nfs/dbraw/zinc/75/14/45/553751445.db2.gz YFJMWXBADOJKNF-GOSISDBHSA-N 1 1 502.685 1.925 50 0 KDAAMO COc1cc(/C=C/C(=O)NCC(=O)N2CCC([N@@H+](C)CCN3CCOCC3)CC2)ccc1OC(C)C ZINC000022932075 553767812 /nfs/dbraw/zinc/76/78/12/553767812.db2.gz BFLGAHGZDXSOQU-SOFGYWHQSA-N 1 1 502.656 1.867 50 0 KDAAMO CCCCN1C(=O)c2cc(C(=O)NCCC[NH+]3CCN(CC)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000022937077 553768128 /nfs/dbraw/zinc/76/81/28/553768128.db2.gz VDWDXSCGMDNLCD-MHZLTWQESA-N 1 1 515.703 1.714 50 0 KDAAMO CCCCN1C(=O)c2cc(C(=O)NCCC[NH+]3CCN(CC)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000022937080 553768192 /nfs/dbraw/zinc/76/81/92/553768192.db2.gz VDWDXSCGMDNLCD-HHHXNRCGSA-N 1 1 515.703 1.714 50 0 KDAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000022947461 553768456 /nfs/dbraw/zinc/76/84/56/553768456.db2.gz NJVOYKMQEQLAAE-UHFFFAOYSA-N 1 1 549.738 1.106 50 0 KDAAMO COc1cc(OC)cc(OC[C@H](O)C[NH+]2CCN(C[C@H](O)COc3cc(OC)cc(OC)c3)CC2)c1 ZINC000023078720 553769900 /nfs/dbraw/zinc/76/99/00/553769900.db2.gz YSGGRWAARWCTOF-BGYRXZFFSA-N 1 1 506.596 1.518 50 0 KDAAMO COc1cc(OC)cc(OC[C@H](O)CN2CC[NH+](C[C@H](O)COc3cc(OC)cc(OC)c3)CC2)c1 ZINC000023078720 553769899 /nfs/dbraw/zinc/76/98/99/553769899.db2.gz YSGGRWAARWCTOF-BGYRXZFFSA-N 1 1 506.596 1.518 50 0 KDAAMO COc1cc(OC)cc(OC[C@H](O)CN2CC[NH+](C[C@@H](O)COc3cc(OC)cc(OC)c3)CC2)c1 ZINC000023078721 553769879 /nfs/dbraw/zinc/76/98/79/553769879.db2.gz YSGGRWAARWCTOF-WOJBJXKFSA-N 1 1 506.596 1.518 50 0 KDAAMO COc1cc(OC)cc(OC[C@@H](O)CN2CC[NH+](C[C@H](O)COc3cc(OC)cc(OC)c3)CC2)c1 ZINC000023078723 553769888 /nfs/dbraw/zinc/76/98/88/553769888.db2.gz YSGGRWAARWCTOF-PMACEKPBSA-N 1 1 506.596 1.518 50 0 KDAAMO CCOC(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC[NH+]1CCOCC1 ZINC000023331759 553773307 /nfs/dbraw/zinc/77/33/07/553773307.db2.gz QHEXJUAVFBHLKM-UHFFFAOYSA-N 1 1 512.654 1.435 50 0 KDAAMO CCOC(=O)[C@@H](C)Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC[NH+]1CCOCC1 ZINC000023335767 553774087 /nfs/dbraw/zinc/77/40/87/553774087.db2.gz XOMYRSIYAGWELT-GOSISDBHSA-N 1 1 526.681 1.823 50 0 KDAAMO CCOC(=O)[C@H](C)Sc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC[NH+]1CCOCC1 ZINC000023335768 553774119 /nfs/dbraw/zinc/77/41/19/553774119.db2.gz XOMYRSIYAGWELT-SFHVURJKSA-N 1 1 526.681 1.823 50 0 KDAAMO CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000025180719 553804995 /nfs/dbraw/zinc/80/49/95/553804995.db2.gz UUIDUDBDMJQGPA-JWGURIENSA-N 1 1 513.595 1.980 50 0 KDAAMO O[C@@H](COc1ccc(-c2nnco2)cc1)CN1CC[NH+](C[C@@H](O)COc2ccc(-c3nnco3)cc2)CC1 ZINC000026893742 553821909 /nfs/dbraw/zinc/82/19/09/553821909.db2.gz HRTYXXGEDHQWNU-FGZHOGPDSA-N 1 1 522.562 1.584 50 0 KDAAMO O[C@@H](COc1ccc(-c2nnco2)cc1)C[NH+]1CCN(C[C@H](O)COc2ccc(-c3nnco3)cc2)CC1 ZINC000026893745 553822054 /nfs/dbraw/zinc/82/20/54/553822054.db2.gz HRTYXXGEDHQWNU-SZPZYZBQSA-N 1 1 522.562 1.584 50 0 KDAAMO O[C@@H](COc1ccc(-c2nnco2)cc1)CN1CC[NH+](C[C@H](O)COc2ccc(-c3nnco3)cc2)CC1 ZINC000026893745 553822051 /nfs/dbraw/zinc/82/20/51/553822051.db2.gz HRTYXXGEDHQWNU-SZPZYZBQSA-N 1 1 522.562 1.584 50 0 KDAAMO O[C@H](COc1ccc(-c2nnco2)cc1)CN1CC[NH+](C[C@H](O)COc2ccc(-c3nnco3)cc2)CC1 ZINC000026893750 553822072 /nfs/dbraw/zinc/82/20/72/553822072.db2.gz HRTYXXGEDHQWNU-VXKWHMMOSA-N 1 1 522.562 1.584 50 0 KDAAMO Cc1sc2ncn(CC(=O)NCC[N@H+]3CCc4ccccc4C3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000029752559 553853695 /nfs/dbraw/zinc/85/36/95/553853695.db2.gz JEQQTZPXVMRGGY-UHFFFAOYSA-N 1 1 608.750 1.242 50 0 KDAAMO CCOC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(C[C@H](O)COc3ccc(C(=O)OCC)cc3)CC2)cc1 ZINC000032682358 553873193 /nfs/dbraw/zinc/87/31/93/553873193.db2.gz XNTJHCWXQJCVAB-PSWAGMNNSA-N 1 1 530.618 1.837 50 0 KDAAMO CCOC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(C(=O)OCC)cc3)CC2)cc1 ZINC000032682358 553873189 /nfs/dbraw/zinc/87/31/89/553873189.db2.gz XNTJHCWXQJCVAB-PSWAGMNNSA-N 1 1 530.618 1.837 50 0 KDAAMO CCOC(=O)c1ccc(OC[C@H](O)CN2CC[NH+](C[C@@H](O)COc3ccc(C(=O)OCC)cc3)CC2)cc1 ZINC000032682360 553873079 /nfs/dbraw/zinc/87/30/79/553873079.db2.gz XNTJHCWXQJCVAB-DNQXCXABSA-N 1 1 530.618 1.837 50 0 KDAAMO CCOC(=O)c1ccc(OC[C@@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(C(=O)OCC)cc3)CC2)cc1 ZINC000032682362 553873205 /nfs/dbraw/zinc/87/32/05/553873205.db2.gz XNTJHCWXQJCVAB-ZEQRLZLVSA-N 1 1 530.618 1.837 50 0 KDAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000032960912 553882341 /nfs/dbraw/zinc/88/23/41/553882341.db2.gz HTRUFGHIZCDYSP-UHFFFAOYSA-N 1 1 534.683 1.662 50 0 KDAAMO CC(=O)N[C@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000032999703 553887740 /nfs/dbraw/zinc/88/77/40/553887740.db2.gz QIWUHOVOPBVIKU-HSZRJFAPSA-N 1 1 529.663 1.665 50 0 KDAAMO CC(=O)N[C@@H](CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000032999704 553887808 /nfs/dbraw/zinc/88/78/08/553887808.db2.gz QIWUHOVOPBVIKU-QHCPKHFHSA-N 1 1 529.663 1.665 50 0 KDAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)CC1 ZINC000033024777 553889220 /nfs/dbraw/zinc/88/92/20/553889220.db2.gz CLEZTUWPRPNUEZ-OAHLLOKOSA-N 1 1 500.581 1.535 50 0 KDAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3nnc(C(=O)Nc4ccc5c(c4)OCO5)s3)C2)CC1 ZINC000033024778 553889266 /nfs/dbraw/zinc/88/92/66/553889266.db2.gz CLEZTUWPRPNUEZ-HNNXBMFYSA-N 1 1 500.581 1.535 50 0 KDAAMO O=C(CC1CCN(C(=O)c2nnc(C(=O)Nc3ccccc3)s2)CC1)NCCC[NH+]1CCOCC1 ZINC000033024934 553889843 /nfs/dbraw/zinc/88/98/43/553889843.db2.gz SMZNWHPNQZIFIN-UHFFFAOYSA-N 1 1 500.625 1.871 50 0 KDAAMO CCN(CC[NH+](C)C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000033033060 553891609 /nfs/dbraw/zinc/89/16/09/553891609.db2.gz DPFHGXMPACXRBM-UHFFFAOYSA-N 1 1 516.668 1.879 50 0 KDAAMO COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[N@@H+](C)CC3)ccc2N2CC[NH2+]CC2)cc1OC ZINC000033033248 553892167 /nfs/dbraw/zinc/89/21/67/553892167.db2.gz BTKFWHIOKHNXSE-UHFFFAOYSA-N 1 1 517.652 1.692 50 0 KDAAMO COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCC[N@H+](C)CC3)ccc2N2CC[NH2+]CC2)cc1OC ZINC000033033248 553892164 /nfs/dbraw/zinc/89/21/64/553892164.db2.gz BTKFWHIOKHNXSE-UHFFFAOYSA-N 1 1 517.652 1.692 50 0 KDAAMO CCN(CC[NH+](C)C)C(=O)c1ccc(N2CC[NH2+]CC2)c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000033033261 553892286 /nfs/dbraw/zinc/89/22/86/553892286.db2.gz NHVKSYXSWKDTGD-UHFFFAOYSA-N 1 1 519.668 1.938 50 0 KDAAMO CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1N1CC[NH2+]CC1 ZINC000033033561 553893061 /nfs/dbraw/zinc/89/30/61/553893061.db2.gz WGSWUFYVGFFTDB-UHFFFAOYSA-N 1 1 514.652 1.551 50 0 KDAAMO CC(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1cc(C(=O)N2CCOCC2)ccc1N1CC[NH2+]CC1 ZINC000033033575 553892917 /nfs/dbraw/zinc/89/29/17/553892917.db2.gz VZZFUDARGGMACZ-UHFFFAOYSA-N 1 1 501.609 1.636 50 0 KDAAMO Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000033086230 553910198 /nfs/dbraw/zinc/91/01/98/553910198.db2.gz HXSXLWWJWWPMJO-JOCHJYFZSA-N 1 1 528.679 1.264 50 0 KDAAMO Cc1nn(CC(=O)N2CCc3ccccc32)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000033086231 553910240 /nfs/dbraw/zinc/91/02/40/553910240.db2.gz HXSXLWWJWWPMJO-QFIPXVFZSA-N 1 1 528.679 1.264 50 0 KDAAMO Cc1sc2ncn(CC(=O)NCCC[N@H+]3CCc4ccccc4C3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000033356836 553944828 /nfs/dbraw/zinc/94/48/28/553944828.db2.gz SJTOXKUQPDRSSG-UHFFFAOYSA-N 1 1 622.777 1.632 50 0 KDAAMO CC[N@@H+](CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O)Cc1ccccc1 ZINC000033357208 553947522 /nfs/dbraw/zinc/94/75/22/553947522.db2.gz QUGCFHSOKTXXEP-UHFFFAOYSA-N 1 1 547.703 1.816 50 0 KDAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000033357279 553947489 /nfs/dbraw/zinc/94/74/89/553947489.db2.gz GLUWEFNFNKBJFO-UHFFFAOYSA-N 1 1 556.129 1.374 50 0 KDAAMO CC[NH+]1CCN(C(=O)CCN(CCOC)C(=O)c2cc3n(n2)CCCN(Cc2ccccc2)C3=O)CC1 ZINC000034676314 553982887 /nfs/dbraw/zinc/98/28/87/553982887.db2.gz CTGGSCMGLKVNQT-UHFFFAOYSA-N 1 1 510.639 1.572 50 0 KDAAMO O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1 ZINC000034677106 553983169 /nfs/dbraw/zinc/98/31/69/553983169.db2.gz GFEVDGLDNNIUFM-FQEVSTJZSA-N 1 1 511.545 1.434 50 0 KDAAMO O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1 ZINC000034677107 553983218 /nfs/dbraw/zinc/98/32/18/553983218.db2.gz GFEVDGLDNNIUFM-HXUWFJFHSA-N 1 1 511.545 1.434 50 0 KDAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3nc(C(=O)NCc4ccc5c(c4)OCO5)co3)CC2)cc1 ZINC000034677204 553983366 /nfs/dbraw/zinc/98/33/66/553983366.db2.gz DBXDVYZBNJMNPA-HXUWFJFHSA-N 1 1 524.574 1.899 50 0 KDAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3nc(C(=O)NCc4ccc5c(c4)OCO5)co3)CC2)cc1 ZINC000034677205 553983320 /nfs/dbraw/zinc/98/33/20/553983320.db2.gz DBXDVYZBNJMNPA-FQEVSTJZSA-N 1 1 524.574 1.899 50 0 KDAAMO COc1ccc(CCN(C)C(=O)c2coc(CN3CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC3)n2)cc1OC ZINC000034677628 553983286 /nfs/dbraw/zinc/98/32/86/553983286.db2.gz YATYFYLSBSSJTG-QFIPXVFZSA-N 1 1 517.671 1.825 50 0 KDAAMO COc1ccc(CCN(C)C(=O)c2coc(CN3CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC3)n2)cc1OC ZINC000034677629 553983332 /nfs/dbraw/zinc/98/33/32/553983332.db2.gz YATYFYLSBSSJTG-JOCHJYFZSA-N 1 1 517.671 1.825 50 0 KDAAMO CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2coc(CN3CC[NH+](C[C@H](O)COCC(C)C)CC3)n2)C1 ZINC000034677680 553983388 /nfs/dbraw/zinc/98/33/88/553983388.db2.gz LMSUTOJYDKVIIR-YADHBBJMSA-N 1 1 507.676 1.546 50 0 KDAAMO CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2coc(CN3CC[NH+](C[C@H](O)COCC(C)C)CC3)n2)C1 ZINC000034677681 553983381 /nfs/dbraw/zinc/98/33/81/553983381.db2.gz LMSUTOJYDKVIIR-VXKWHMMOSA-N 1 1 507.676 1.546 50 0 KDAAMO CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2coc(CN3CC[NH+](C[C@@H](O)COCC(C)C)CC3)n2)C1 ZINC000034677682 553983134 /nfs/dbraw/zinc/98/31/34/553983134.db2.gz LMSUTOJYDKVIIR-FGZHOGPDSA-N 1 1 507.676 1.546 50 0 KDAAMO CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2coc(CN3CC[NH+](C[C@@H](O)COCC(C)C)CC3)n2)C1 ZINC000034677683 553983231 /nfs/dbraw/zinc/98/32/31/553983231.db2.gz LMSUTOJYDKVIIR-FCHUYYIVSA-N 1 1 507.676 1.546 50 0 KDAAMO CC(C)COC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1 ZINC000034677702 553983147 /nfs/dbraw/zinc/98/31/47/553983147.db2.gz WAXDCHVQLMRPAE-HSZRJFAPSA-N 1 1 503.619 1.927 50 0 KDAAMO CC(C)COC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1 ZINC000034677703 553983240 /nfs/dbraw/zinc/98/32/40/553983240.db2.gz WAXDCHVQLMRPAE-QHCPKHFHSA-N 1 1 503.619 1.927 50 0 KDAAMO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1 ZINC000034677718 553983607 /nfs/dbraw/zinc/98/36/07/553983607.db2.gz IWIWTZFIWXMCNS-QHCPKHFHSA-N 1 1 502.635 1.595 50 0 KDAAMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(c4ccc(F)cc4)CC3)co2)CC1 ZINC000034677719 553983657 /nfs/dbraw/zinc/98/36/57/553983657.db2.gz IWIWTZFIWXMCNS-HSZRJFAPSA-N 1 1 502.635 1.595 50 0 KDAAMO COc1cccc(N2CCN(C(=O)c3coc(CN4CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC4)n3)CC2)c1 ZINC000034677764 553983586 /nfs/dbraw/zinc/98/35/86/553983586.db2.gz QYYHJMIWIYWMDI-QHCPKHFHSA-N 1 1 514.671 1.464 50 0 KDAAMO COc1cccc(N2CCN(C(=O)c3coc(CN4CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC4)n3)CC2)c1 ZINC000034677765 553983671 /nfs/dbraw/zinc/98/36/71/553983671.db2.gz QYYHJMIWIYWMDI-HSZRJFAPSA-N 1 1 514.671 1.464 50 0 KDAAMO Cc1cccc(C)c1N1CCN(C(=O)c2coc(CN3CC[NH+](C[C@H](O)CN4CCOCC4)CC3)n2)CC1 ZINC000034677780 553983704 /nfs/dbraw/zinc/98/37/04/553983704.db2.gz FVRSXMONKLGIMS-DEOSSOPVSA-N 1 1 526.682 1.065 50 0 KDAAMO Cc1cccc(C)c1N1CCN(C(=O)c2coc(CN3CC[NH+](C[C@@H](O)CN4CCOCC4)CC3)n2)CC1 ZINC000034677781 553983722 /nfs/dbraw/zinc/98/37/22/553983722.db2.gz FVRSXMONKLGIMS-XMMPIXPASA-N 1 1 526.682 1.065 50 0 KDAAMO CCc1ccccc1N1CCN(C(=O)c2coc(CN3CC[NH+](C[C@H](O)CN4CCOCC4)CC3)n2)CC1 ZINC000034677806 553983561 /nfs/dbraw/zinc/98/35/61/553983561.db2.gz HCBCZCLNNWKTJY-DEOSSOPVSA-N 1 1 526.682 1.010 50 0 KDAAMO CCc1ccccc1N1CCN(C(=O)c2coc(CN3CC[NH+](C[C@@H](O)CN4CCOCC4)CC3)n2)CC1 ZINC000034677807 553983996 /nfs/dbraw/zinc/98/39/96/553983996.db2.gz HCBCZCLNNWKTJY-XMMPIXPASA-N 1 1 526.682 1.010 50 0 KDAAMO COc1ccccc1N1CCN(C(=O)c2coc(CN3CC[NH+](C[C@@H](O)COC(C)C)CC3)n2)CC1 ZINC000034678431 553983844 /nfs/dbraw/zinc/98/38/44/553983844.db2.gz JJPKPEONWNRRQW-OAQYLSRUSA-N 1 1 501.628 1.549 50 0 KDAAMO COc1ccccc1N1CCN(C(=O)c2coc(CN3CC[NH+](C[C@H](O)COC(C)C)CC3)n2)CC1 ZINC000034678432 553984072 /nfs/dbraw/zinc/98/40/72/553984072.db2.gz JJPKPEONWNRRQW-NRFANRHFSA-N 1 1 501.628 1.549 50 0 KDAAMO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@H+](C[C@H](O)CN3CCOCC3)CC2)nc1 ZINC000034682240 553985646 /nfs/dbraw/zinc/98/56/46/553985646.db2.gz FXBOOXHXIXVVCB-QFIPXVFZSA-N 1 1 504.031 1.958 50 0 KDAAMO COc1cc(C(=O)N2CCN(C[C@@H]3C[N@@H+](C[C@H](O)Cc4ccccc4)CCO3)CC2)cc(OC)c1OC ZINC000034691601 553989793 /nfs/dbraw/zinc/98/97/93/553989793.db2.gz AMYWXJYGYCYVTJ-DNQXCXABSA-N 1 1 513.635 1.775 50 0 KDAAMO COc1cc(C(=O)N2CCN(C[C@@H]3C[N@H+](C[C@H](O)Cc4ccccc4)CCO3)CC2)cc(OC)c1OC ZINC000034691601 553989790 /nfs/dbraw/zinc/98/97/90/553989790.db2.gz AMYWXJYGYCYVTJ-DNQXCXABSA-N 1 1 513.635 1.775 50 0 KDAAMO COc1cc(C(=O)N2CCN(C[C@H]3C[N@@H+](C[C@H](O)Cc4ccccc4)CCO3)CC2)cc(OC)c1OC ZINC000034691602 553989466 /nfs/dbraw/zinc/98/94/66/553989466.db2.gz AMYWXJYGYCYVTJ-RPWUZVMVSA-N 1 1 513.635 1.775 50 0 KDAAMO COc1cc(C(=O)N2CCN(C[C@H]3C[N@H+](C[C@H](O)Cc4ccccc4)CCO3)CC2)cc(OC)c1OC ZINC000034691602 553989462 /nfs/dbraw/zinc/98/94/62/553989462.db2.gz AMYWXJYGYCYVTJ-RPWUZVMVSA-N 1 1 513.635 1.775 50 0 KDAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](CCOC)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000034793310 554008308 /nfs/dbraw/zinc/00/83/08/554008308.db2.gz QXTCJBRBSVLIPR-NRFANRHFSA-N 1 1 510.422 1.967 50 0 KDAAMO CCN1C2=C(C(=O)N(CC(=O)N3CC[NH+](CCOC)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000034793312 554008313 /nfs/dbraw/zinc/00/83/13/554008313.db2.gz QXTCJBRBSVLIPR-OAQYLSRUSA-N 1 1 510.422 1.967 50 0 KDAAMO COCC[NH+]1CCN(C(=O)[C@@H]2COC3(CCN(C(=O)c4ccco4)CC3)N2C(=O)c2ccccc2)CC1 ZINC000034920575 554031319 /nfs/dbraw/zinc/03/13/19/554031319.db2.gz ADHDRXXKKKKGJB-QFIPXVFZSA-N 1 1 510.591 1.544 50 0 KDAAMO COCC[NH+]1CCN(C(=O)[C@H]2COC3(CCN(C(=O)c4ccco4)CC3)N2C(=O)c2ccccc2)CC1 ZINC000034920578 554031315 /nfs/dbraw/zinc/03/13/15/554031315.db2.gz ADHDRXXKKKKGJB-JOCHJYFZSA-N 1 1 510.591 1.544 50 0 KDAAMO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@H](C(=O)NCC[N@H+]3CCc4ccccc4C3)C1)OCC(=O)N2 ZINC000035378968 554046653 /nfs/dbraw/zinc/04/66/53/554046653.db2.gz CCUAHCWJOVBLMG-NRFANRHFSA-N 1 1 512.632 1.901 50 0 KDAAMO Cc1cc2c(cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC[N@H+]3CCc4ccccc4C3)C1)OCC(=O)N2 ZINC000035378969 554046610 /nfs/dbraw/zinc/04/66/10/554046610.db2.gz CCUAHCWJOVBLMG-OAQYLSRUSA-N 1 1 512.632 1.901 50 0 KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(C)cc(Cl)c3NC2=O)cc1OC ZINC000035802824 554075414 /nfs/dbraw/zinc/07/54/14/554075414.db2.gz YOCPCFLXSNTXKR-FKRWJQPVSA-N 1 1 526.977 1.504 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3ccc(Cl)c(C)c3NC2=O)cc1OC ZINC000035804847 554075393 /nfs/dbraw/zinc/07/53/93/554075393.db2.gz BWOSPXZFPDQYRC-FKRWJQPVSA-N 1 1 526.977 1.504 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(N)=O)[NH2+][C@]32c3cc(Cl)cc(C)c3NC2=O)cc1OC ZINC000035807091 554076002 /nfs/dbraw/zinc/07/60/02/554076002.db2.gz YFTHXKRDOWJZIO-FKRWJQPVSA-N 1 1 526.977 1.504 50 0 biogenic KDAAMO CCOC(=O)CCC(=O)N1CCN(c2nc(C[NH+]3CCN(c4cc(C)ccc4C)CC3)cc(=O)[nH]2)CC1 ZINC000035926722 554100405 /nfs/dbraw/zinc/10/04/05/554100405.db2.gz ZYNWWFCOBJNZCX-UHFFFAOYSA-N 1 1 510.639 1.701 50 0 KDAAMO COc1ccccc1C(=O)N/C(=C\c1cn(S(=O)(=O)N(C)C)c2ccccc12)C(=O)NCCC[NH+]1CCOCC1 ZINC000035973839 554114915 /nfs/dbraw/zinc/11/49/15/554114915.db2.gz ZLGQREFZCHZVQX-CLCOLTQESA-N 1 1 569.684 1.914 50 0 KDAAMO COc1cccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CC[NH+](C)CC2)N3C(=O)c2ccccc2)c1 ZINC000035986837 554119714 /nfs/dbraw/zinc/11/97/14/554119714.db2.gz GFDGNRARTNGYBY-DEOSSOPVSA-N 1 1 506.603 1.943 50 0 KDAAMO COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CC[NH+](C)CC2)N3C(=O)c2ccccc2)c1 ZINC000035986838 554119667 /nfs/dbraw/zinc/11/96/67/554119667.db2.gz GFDGNRARTNGYBY-XMMPIXPASA-N 1 1 506.603 1.943 50 0 KDAAMO COCc1cc(N2CC[NH+](C)CC2)nc(SCc2cccc(C(=O)NCCN3CCOCC3)c2)n1 ZINC000036061651 554161734 /nfs/dbraw/zinc/16/17/34/554161734.db2.gz HNDOGSLUHCAPAI-UHFFFAOYSA-N 1 1 500.669 1.729 50 0 KDAAMO O[C@H](CN1CCOCC1)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249738 554210162 /nfs/dbraw/zinc/21/01/62/554210162.db2.gz ZCHNKMWNUHOCMX-PKTZIBPZSA-N 1 1 504.603 1.991 50 0 KDAAMO O[C@H](CN1CCOCC1)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000036249739 554210171 /nfs/dbraw/zinc/21/01/71/554210171.db2.gz ZCHNKMWNUHOCMX-DHIUTWEWSA-N 1 1 504.603 1.991 50 0 KDAAMO COc1ccc(Cl)cc1N1CCN(c2ncc(C(=O)NCCC[NH+]3CCOCC3)c(OC)n2)CC1 ZINC000037524121 554250066 /nfs/dbraw/zinc/25/00/66/554250066.db2.gz WJNZOUAWLLWFEL-UHFFFAOYSA-N 1 1 505.019 1.926 50 0 KDAAMO CCN1CC[NH+](CCCNC(=O)CNC(=O)c2nn(-c3ccc(OC)cc3OC)c(=O)c3ccccc32)CC1 ZINC000038147098 554270198 /nfs/dbraw/zinc/27/01/98/554270198.db2.gz YHMSZDFFULVDPG-UHFFFAOYSA-N 1 1 536.633 1.277 50 0 KDAAMO COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000038152818 554273469 /nfs/dbraw/zinc/27/34/69/554273469.db2.gz ITZXPXWRCUFQHJ-PLRJNAJWSA-N 1 1 569.684 1.914 50 0 KDAAMO CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCC[NH+]2CCOCC2)c2ccccc21 ZINC000038152819 554273330 /nfs/dbraw/zinc/27/33/30/554273330.db2.gz AZLTVYTUCKTTDF-CLCOLTQESA-N 1 1 539.658 1.905 50 0 KDAAMO COc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1 ZINC000038550299 554275222 /nfs/dbraw/zinc/27/52/22/554275222.db2.gz NPQREWVOCRVFGJ-PKOBYXMFSA-N 1 1 508.575 1.564 50 0 biogenic KDAAMO COc1ccc(CNC(=O)[C@@H]([NH3+])CCCNC(=N)NS(=O)(=O)c2c(C)cc(OC)c(C)c2C)cc1 ZINC000039946818 554281594 /nfs/dbraw/zinc/28/15/94/554281594.db2.gz QLUNOGHYJINXST-FQEVSTJZSA-N 1 1 505.641 1.856 50 0 KDAAMO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)cc21 ZINC000040450853 554285919 /nfs/dbraw/zinc/28/59/19/554285919.db2.gz YIXSLQISPCAJPQ-UHFFFAOYSA-N 1 1 527.485 1.923 50 0 KDAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[NH+](CCOc4ccccc4)CC3)CC2)cc1OC ZINC000044980813 554310928 /nfs/dbraw/zinc/31/09/28/554310928.db2.gz KANQKLVUAFHXLK-UHFFFAOYSA-N 1 1 532.663 1.233 50 0 KDAAMO CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H]([NH+](C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H]1CO ZINC000049778243 554325952 /nfs/dbraw/zinc/32/59/52/554325952.db2.gz WGUJDBLMJBJUQU-SIAKXVLYSA-N 1 1 597.746 1.402 50 0 KDAAMO Cc1ccc(OC[C@H](O)Cn2c3c([nH]c2=NN2CC[NH+](Cc4ccccc4)CC2)n(C)c(=O)[nH]c3=O)cc1 ZINC000057111106 554352361 /nfs/dbraw/zinc/35/23/61/554352361.db2.gz SLZQBSNQVMHEAC-OAQYLSRUSA-N 1 1 519.606 1.316 50 0 KDAAMO Cc1ccc(OC[C@@H](O)Cn2c3c([nH]c2=NN2CC[NH+](Cc4ccccc4)CC2)n(C)c(=O)[nH]c3=O)cc1 ZINC000057111108 554352318 /nfs/dbraw/zinc/35/23/18/554352318.db2.gz SLZQBSNQVMHEAC-NRFANRHFSA-N 1 1 519.606 1.316 50 0 KDAAMO Cc1sc2ncn(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1S(=O)(=O)N1CCOCC1 ZINC000059515081 554402278 /nfs/dbraw/zinc/40/22/78/554402278.db2.gz GPHHXXUKFIMXED-UHFFFAOYSA-N 1 1 531.660 1.132 50 0 KDAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000063486194 554509236 /nfs/dbraw/zinc/50/92/36/554509236.db2.gz HJXQDUIFMFOKNL-FQEVSTJZSA-N 1 1 500.650 1.783 50 0 KDAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc21 ZINC000063486200 554509363 /nfs/dbraw/zinc/50/93/63/554509363.db2.gz HJXQDUIFMFOKNL-HXUWFJFHSA-N 1 1 500.650 1.783 50 0 KDAAMO CN(CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000063486216 554509752 /nfs/dbraw/zinc/50/97/52/554509752.db2.gz IGYSGJZHARHGRB-UHFFFAOYSA-N 1 1 520.055 1.784 50 0 KDAAMO CCCN1C(=O)c2c(C(=O)NCCC[NH+]3CCOCC3)ncn2C[C@@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953086 554520704 /nfs/dbraw/zinc/52/07/04/554520704.db2.gz AUOORRJRTCAEDC-MHZLTWQESA-N 1 1 510.639 1.585 50 0 KDAAMO CCCN1C(=O)c2c(C(=O)NCCC[NH+]3CCOCC3)ncn2C[C@]1(C)C(=O)NCc1ccc(C)cc1 ZINC000064953089 554520688 /nfs/dbraw/zinc/52/06/88/554520688.db2.gz AUOORRJRTCAEDC-HHHXNRCGSA-N 1 1 510.639 1.585 50 0 KDAAMO CCCN1C(=O)c2c(C(=O)NCCC[NH+]3CCOCC3)ncn2C[C@@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953459 554521137 /nfs/dbraw/zinc/52/11/37/554521137.db2.gz FVJHOFTXRRQQLJ-MHZLTWQESA-N 1 1 526.638 1.285 50 0 KDAAMO CCCN1C(=O)c2c(C(=O)NCCC[NH+]3CCOCC3)ncn2C[C@]1(C)C(=O)NCc1ccc(OC)cc1 ZINC000064953462 554521160 /nfs/dbraw/zinc/52/11/60/554521160.db2.gz FVJHOFTXRRQQLJ-HHHXNRCGSA-N 1 1 526.638 1.285 50 0 KDAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](C)CC2)cc1 ZINC000066124535 554528898 /nfs/dbraw/zinc/52/88/98/554528898.db2.gz MCHHOJSIAQHKNV-UHFFFAOYSA-N 1 1 579.745 1.742 50 0 KDAAMO CCCC[NH+]1CCN(C(=O)c2cn(C)nc2S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)CC1 ZINC000067336948 554530548 /nfs/dbraw/zinc/53/05/48/554530548.db2.gz KDPPRQSBYHZBSM-UHFFFAOYSA-N 1 1 518.684 1.888 50 0 KDAAMO CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000067336993 554530681 /nfs/dbraw/zinc/53/06/81/554530681.db2.gz ZJDNZBUFWMHTOI-UHFFFAOYSA-N 1 1 504.657 1.590 50 0 KDAAMO CCCn1cc(C(=O)N2CC[NH+](CC)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1 ZINC000067337050 554530791 /nfs/dbraw/zinc/53/07/91/554530791.db2.gz SYYCXMPVBYGOTR-UHFFFAOYSA-N 1 1 518.684 1.980 50 0 KDAAMO CCCn1cc(C(=O)N2CCC[N@@H+](C)CC2)c(S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)n1 ZINC000067337062 554530722 /nfs/dbraw/zinc/53/07/22/554530722.db2.gz CKTXKJLWIKRXEA-UHFFFAOYSA-N 1 1 518.684 1.980 50 0 KDAAMO COc1ccc(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1OC ZINC000070665050 553595434 /nfs/dbraw/zinc/59/54/34/553595434.db2.gz YSIUGLOPEBEYLR-MJGOQNOKSA-N 1 1 538.601 1.573 50 0 biogenic KDAAMO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCN(C(=O)c4ccccc4)CC3)[C@H]1[C@@H]2O ZINC000070665902 553597474 /nfs/dbraw/zinc/59/74/74/553597474.db2.gz OODLPYNTTOEQHX-SLMCZFSBSA-N 1 1 556.656 1.893 50 0 biogenic KDAAMO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[NH+]3CCN(C(=O)c4ccccc4)CC3)[C@H]1[C@@H]2O ZINC000070665904 553597526 /nfs/dbraw/zinc/59/75/26/553597526.db2.gz OODLPYNTTOEQHX-GKKRZOOYSA-N 1 1 556.656 1.893 50 0 biogenic KDAAMO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCN(C(=O)c4ccccc4)CC3)[C@H]1[C@@H]2O ZINC000070665906 553597438 /nfs/dbraw/zinc/59/74/38/553597438.db2.gz OODLPYNTTOEQHX-UJOIGEQOSA-N 1 1 556.656 1.893 50 0 biogenic KDAAMO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[NH+]3CCN(C(=O)c4ccccc4)CC3)[C@H]1[C@@H]2O ZINC000070665908 553597465 /nfs/dbraw/zinc/59/74/65/553597465.db2.gz OODLPYNTTOEQHX-YLESFEINSA-N 1 1 556.656 1.893 50 0 biogenic KDAAMO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)[C@H]1[C@@H]2O ZINC000070665981 553597410 /nfs/dbraw/zinc/59/74/10/553597410.db2.gz XNZOOKULEFZSKF-VSLJHXCZSA-N 1 1 556.656 1.716 50 0 biogenic KDAAMO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@@H](C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)[C@H]1[C@@H]2O ZINC000070665982 553597452 /nfs/dbraw/zinc/59/74/52/553597452.db2.gz XNZOOKULEFZSKF-XBGDGDIBSA-N 1 1 556.656 1.716 50 0 biogenic KDAAMO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)[C@H]1[C@@H]2O ZINC000070665983 553597498 /nfs/dbraw/zinc/59/74/98/553597498.db2.gz XNZOOKULEFZSKF-ZMQRZERRSA-N 1 1 556.656 1.716 50 0 biogenic KDAAMO CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](C)C[C@@H]1OC(=O)[C@H](C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)[C@H]1[C@@H]2O ZINC000070665984 553597393 /nfs/dbraw/zinc/59/73/93/553597393.db2.gz XNZOOKULEFZSKF-WRZGNNGBSA-N 1 1 556.656 1.716 50 0 biogenic KDAAMO COc1cc(OC)c(OC)cc1CC1(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C(=O)N(C)C1=O ZINC000070669913 553599469 /nfs/dbraw/zinc/59/94/69/553599469.db2.gz ORSPKOGLIZTSTG-MJGOQNOKSA-N 1 1 538.601 1.573 50 0 biogenic KDAAMO COc1cc(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1O ZINC000070670202 553601010 /nfs/dbraw/zinc/60/10/10/553601010.db2.gz KPTJPGDTFBINCW-SJORKVTESA-N 1 1 620.444 1.866 50 0 KDAAMO COc1cc(CC2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=S)N(C)C2=O)cc(OC)c1OC ZINC000070670219 553600862 /nfs/dbraw/zinc/60/08/62/553600862.db2.gz UPHXAJCLXFCSCV-MOPGFXCFSA-N 1 1 554.669 1.738 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(C)cc(Cl)c3NC2=O)cc1OC ZINC000070692020 553609127 /nfs/dbraw/zinc/60/91/27/553609127.db2.gz YOCPCFLXSNTXKR-GPNHVJLWSA-N 1 1 526.977 1.504 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3ccc(Cl)c(C)c3NC2=O)cc1OC ZINC000070692147 553609889 /nfs/dbraw/zinc/60/98/89/553609889.db2.gz BWOSPXZFPDQYRC-GPNHVJLWSA-N 1 1 526.977 1.504 50 0 biogenic KDAAMO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CC(N)=O)[NH2+][C@]32c3cc(Cl)cc(C)c3NC2=O)cc1OC ZINC000070700139 553617658 /nfs/dbraw/zinc/61/76/58/553617658.db2.gz YFTHXKRDOWJZIO-GPNHVJLWSA-N 1 1 526.977 1.504 50 0 biogenic KDAAMO CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000071328450 553635373 /nfs/dbraw/zinc/63/53/73/553635373.db2.gz SENDSSLCOBYNTE-UHFFFAOYSA-N 1 1 504.657 1.590 50 0 KDAAMO COc1cc(OC)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](C)CC2)cc1OC ZINC000072139874 553644932 /nfs/dbraw/zinc/64/49/32/553644932.db2.gz IFHROFHGCLNMAG-UHFFFAOYSA-N 1 1 534.635 1.737 50 0 KDAAMO COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000072139923 553644949 /nfs/dbraw/zinc/64/49/49/553644949.db2.gz GKWHNLAOGMQVAY-UHFFFAOYSA-N 1 1 534.635 1.737 50 0 KDAAMO Cn1c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(c2ccccn2)CC1 ZINC000079193569 553668967 /nfs/dbraw/zinc/66/89/67/553668967.db2.gz IWNVLOSZNKBTGM-RTWAWAEBSA-N 1 1 502.619 1.589 50 0 biogenic KDAAMO Cn1c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(C2CCOCC2)CC1 ZINC000085876277 553688844 /nfs/dbraw/zinc/68/88/44/553688844.db2.gz DCAIZWUCMICCSY-RTWAWAEBSA-N 1 1 509.651 1.169 50 0 biogenic KDAAMO Cn1c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(C2CCOCC2)CC1 ZINC000085876277 553688842 /nfs/dbraw/zinc/68/88/42/553688842.db2.gz DCAIZWUCMICCSY-RTWAWAEBSA-N 1 1 509.651 1.169 50 0 biogenic KDAAMO Cn1c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000085876580 553688788 /nfs/dbraw/zinc/68/87/88/553688788.db2.gz CMIMSNSYFZLOCQ-PKTZIBPZSA-N 1 1 559.667 1.918 50 0 biogenic KDAAMO Cn1c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC000085876776 553688817 /nfs/dbraw/zinc/68/88/17/553688817.db2.gz KWMICOCFBPSRPP-CVEARBPZSA-N 1 1 531.539 1.498 50 0 biogenic KDAAMO COc1ccc(S(=O)(=O)N2CCN(Cc3c(O)c(=O)cc(C[N@H+]4C[C@H]5C[C@@H](C4)c4cccc(=O)n4C5)n3C)CC2)cc1 ZINC000085877480 553689424 /nfs/dbraw/zinc/68/94/24/553689424.db2.gz UEDOHPILCAUWCE-YADHBBJMSA-N 1 1 595.722 1.387 50 0 biogenic KDAAMO COc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CC[NH+](C)CC2)cc1OC ZINC000095569515 553704758 /nfs/dbraw/zinc/70/47/58/553704758.db2.gz XHZFIOQKHBIGSZ-JWGURIENSA-N 1 1 555.657 1.858 50 0 KDAAMO COc1ccc(-c2cc(SC)n(-c3nc(N4CCN(C)CC4)nc(N4CC[NH+](C)CC4)n3)n2)cc1OC ZINC000096319457 553751788 /nfs/dbraw/zinc/75/17/88/553751788.db2.gz ZKIXCPIZLSGLMT-UHFFFAOYSA-N 1 1 525.683 1.967 50 0 KDAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 ZINC000098006323 554061416 /nfs/dbraw/zinc/06/14/16/554061416.db2.gz KOHRSPITWOPBEG-DWSYPVMBSA-N 1 1 553.413 1.647 50 0 KDAAMO COc1ccc(C(=O)N2[C@H](C(=O)N3CC[NH+](C)CC3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014701 554092104 /nfs/dbraw/zinc/09/21/04/554092104.db2.gz JVMAREFVARAMBL-VWLOTQADSA-N 1 1 536.629 1.951 50 0 KDAAMO COc1ccc(C(=O)N2[C@@H](C(=O)N3CC[NH+](C)CC3)COC23CCN(C(=O)c2ccc(OC)cc2)CC3)cc1 ZINC000098014702 554092088 /nfs/dbraw/zinc/09/20/88/554092088.db2.gz JVMAREFVARAMBL-RUZDIDTESA-N 1 1 536.629 1.951 50 0 KDAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000100162559 554235587 /nfs/dbraw/zinc/23/55/87/554235587.db2.gz KOHRSPITWOPBEG-SIUQCBEUSA-N 1 1 553.413 1.647 50 0 KDAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000100185111 554242520 /nfs/dbraw/zinc/24/25/20/554242520.db2.gz RGAWAAOOJBIBGY-SIUQCBEUSA-N 1 1 508.962 1.538 50 0 KDAAMO COc1ccc(S(=O)(=O)N2CCN(CCOc3cccc(C[N@@H+](C)C[C@@H]4CCC(=O)N4)c3)CC2)cc1OC ZINC000101152425 1066204480 /nfs/dbraw/zinc/20/44/80/1066204480.db2.gz MCUFXRCDHYMQDS-QFIPXVFZSA-N 1 1 546.690 1.800 50 0 KDAAMO COc1ccc(S(=O)(=O)N2CCN(CCOc3cccc(C[N@@H+](C)C[C@H]4CCC(=O)N4)c3)CC2)cc1OC ZINC000101152428 1066204454 /nfs/dbraw/zinc/20/44/54/1066204454.db2.gz MCUFXRCDHYMQDS-JOCHJYFZSA-N 1 1 546.690 1.800 50 0 KDAAMO COc1ccc(OC)c(S(=O)(=O)N2CCN(CCOc3cccc(C[N@@H+](C)C[C@@H]4CCC(=O)N4)c3)CC2)c1 ZINC000101153567 554657982 /nfs/dbraw/zinc/65/79/82/554657982.db2.gz BFYQCVVOTOVYFC-QFIPXVFZSA-N 1 1 546.690 1.800 50 0 KDAAMO COc1ccc(OC)c(S(=O)(=O)N2CCN(CCOc3cccc(C[N@@H+](C)C[C@H]4CCC(=O)N4)c3)CC2)c1 ZINC000101153569 554658020 /nfs/dbraw/zinc/65/80/20/554658020.db2.gz BFYQCVVOTOVYFC-JOCHJYFZSA-N 1 1 546.690 1.800 50 0 KDAAMO COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N4CC[NH+](C)CC4)c(=O)c32)CC1 ZINC000101222631 554687591 /nfs/dbraw/zinc/68/75/91/554687591.db2.gz FZRFYPGOMBEYEE-UHFFFAOYSA-N 1 1 560.702 1.060 50 0 KDAAMO COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)NCCC[NH+]4CCOCC4)c(=O)c32)CC1 ZINC000101222646 554687596 /nfs/dbraw/zinc/68/75/96/554687596.db2.gz RYJYAIKMEHAXRO-UHFFFAOYSA-N 1 1 604.755 1.124 50 0 KDAAMO Cc1sc2ncn(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304505 554714429 /nfs/dbraw/zinc/71/44/29/554714429.db2.gz JAWIPYNCJQYXGZ-UHFFFAOYSA-N 1 1 608.750 1.412 50 0 KDAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O ZINC000101304613 554714382 /nfs/dbraw/zinc/71/43/82/554714382.db2.gz WOEGZPHAZMOJTQ-OAQYLSRUSA-N 1 1 602.787 1.838 50 0 KDAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)c2c1=O ZINC000101304619 554714398 /nfs/dbraw/zinc/71/43/98/554714398.db2.gz WOEGZPHAZMOJTQ-NRFANRHFSA-N 1 1 602.787 1.838 50 0 KDAAMO Cc1sc2ncn(CC(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 ZINC000101304631 554714452 /nfs/dbraw/zinc/71/44/52/554714452.db2.gz NUMOSGAERWQTMO-BGYRXZFFSA-N 1 1 602.787 1.552 50 0 KDAAMO COc1cc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)N2CC[NH+](C)CC2)cc(OC)c1OC ZINC000101443228 554773525 /nfs/dbraw/zinc/77/35/25/554773525.db2.gz JYFFBGPQHVDVRB-JCMHNJIXSA-N 1 1 585.683 1.867 50 0 KDAAMO COc1cc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000101445699 554774015 /nfs/dbraw/zinc/77/40/15/554774015.db2.gz RVEHZBHAPRMFAQ-ULJHMMPZSA-N 1 1 629.736 1.931 50 0 KDAAMO CC(C)[N@@H+](CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21)Cc1ccccc1 ZINC000101507016 554791027 /nfs/dbraw/zinc/79/10/27/554791027.db2.gz SQBHZULAGVYRPO-UHFFFAOYSA-N 1 1 544.674 1.850 50 0 KDAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000101513181 554793424 /nfs/dbraw/zinc/79/34/24/554793424.db2.gz PMVCFQMMANPDDU-RUZDIDTESA-N 1 1 549.738 1.106 50 0 KDAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1 ZINC000101513183 554793359 /nfs/dbraw/zinc/79/33/59/554793359.db2.gz PMVCFQMMANPDDU-VWLOTQADSA-N 1 1 549.738 1.106 50 0 KDAAMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)nn(CC(=O)N4CCc5ccccc54)c3C)CC2)CC1 ZINC000102696839 555011346 /nfs/dbraw/zinc/01/13/46/555011346.db2.gz RRXLDSGWGGJONH-UHFFFAOYSA-N 1 1 542.706 1.654 50 0 KDAAMO C[N@@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)Cc1ccccc1 ZINC000102786143 555067704 /nfs/dbraw/zinc/06/77/04/555067704.db2.gz KOLLXQMFEQPIDE-UHFFFAOYSA-N 1 1 532.688 1.785 50 0 KDAAMO O=C(CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)NCC[N@H+]1CCc2ccccc2C1 ZINC000102786223 555067759 /nfs/dbraw/zinc/06/77/59/555067759.db2.gz YTHDEYBOUNFLKB-UHFFFAOYSA-N 1 1 530.672 1.321 50 0 KDAAMO O=C(C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102888124 555120897 /nfs/dbraw/zinc/12/08/97/555120897.db2.gz HBFLTBSRJQKPTH-UHFFFAOYSA-N 1 1 541.596 1.950 50 0 KDAAMO O=C(C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000102888124 555120895 /nfs/dbraw/zinc/12/08/95/555120895.db2.gz HBFLTBSRJQKPTH-UHFFFAOYSA-N 1 1 541.596 1.950 50 0 KDAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000103012490 555207208 /nfs/dbraw/zinc/20/72/08/555207208.db2.gz KOHRSPITWOPBEG-BHWIVQFVSA-N 1 1 553.413 1.647 50 0 KDAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000103014072 555208092 /nfs/dbraw/zinc/20/80/92/555208092.db2.gz RUWGMDXIZIXNPX-UHFFFAOYSA-N 1 1 577.729 1.496 50 0 KDAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1 ZINC000103014077 555208112 /nfs/dbraw/zinc/20/81/12/555208112.db2.gz MSNAIISLBAQEJI-UHFFFAOYSA-N 1 1 540.646 1.581 50 0 KDAAMO C[C@@H]1[NH2+][C@@]2(c3ccccc3N(CC(=O)N3CCOCC3)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000103018737 555210693 /nfs/dbraw/zinc/21/06/93/555210693.db2.gz RGAWAAOOJBIBGY-BHWIVQFVSA-N 1 1 508.962 1.538 50 0 KDAAMO O=C(CN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H]1CCCC[N@H+]12)N1CCOCC1 ZINC000103022445 555213650 /nfs/dbraw/zinc/21/36/50/555213650.db2.gz FNNKSNDAVJMNBK-LBCJCTBSSA-N 1 1 514.582 1.761 50 0 KDAAMO O=C(CN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCC[N@H+]12)N1CCOCC1 ZINC000103022448 555213593 /nfs/dbraw/zinc/21/35/93/555213593.db2.gz FNNKSNDAVJMNBK-OAWVOVMNSA-N 1 1 514.582 1.761 50 0 KDAAMO COc1ccc(-n2nc(C(=O)N3CC[NH+](C)CC3)c(=O)n(Cc3cccc(C(F)(F)F)c3)c2=O)cc1OC ZINC000103149918 555315869 /nfs/dbraw/zinc/31/58/69/555315869.db2.gz LVIVHDMCQCUXKO-UHFFFAOYSA-N 1 1 533.507 1.866 50 0 KDAAMO Cc1ccc(C(=O)N2[C@H](C(=O)N3CC[NH+](C)CC3)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000103432606 555415083 /nfs/dbraw/zinc/41/50/83/555415083.db2.gz PPHRMOSRUDISEM-QHCPKHFHSA-N 1 1 534.613 1.971 50 0 KDAAMO Cc1ccc(C(=O)N2[C@@H](C(=O)N3CC[NH+](C)CC3)COC23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000103432608 555415154 /nfs/dbraw/zinc/41/51/54/555415154.db2.gz PPHRMOSRUDISEM-HSZRJFAPSA-N 1 1 534.613 1.971 50 0 KDAAMO O[C@@H](CN1CCOCC1)C[N@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000104998916 571388941 /nfs/dbraw/zinc/38/89/41/571388941.db2.gz ZCHNKMWNUHOCMX-GOTSBHOMSA-N 1 1 504.603 1.991 50 0 KDAAMO O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[N@H+](C[C@@H](O)CN3CCOCC3)CC2)nc1 ZINC000105032155 571389911 /nfs/dbraw/zinc/38/99/11/571389911.db2.gz FXBOOXHXIXVVCB-JOCHJYFZSA-N 1 1 504.031 1.958 50 0 KDAAMO COc1ccc(CC2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=S)N(C)C2=O)c(OC)c1OC ZINC000106030884 571411019 /nfs/dbraw/zinc/41/10/19/571411019.db2.gz UZZQNHQHEZLKKC-PKOBYXMFSA-N 1 1 554.669 1.738 50 0 biogenic KDAAMO CC(=O)Cn1c(N2CC[NH+](CCn3c(C)cn4c3nc3c4c(=O)n(Cc4ccc(C)cc4)c(=O)n3C)CC2)nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2C ZINC000150455417 571504324 /nfs/dbraw/zinc/50/43/24/571504324.db2.gz NNKZKUOVSKNILO-UHFFFAOYSA-N 1 1 759.872 1.793 50 0 KDAAMO CC(=O)Cn1c(N2CC[NH+](CCn3c(C)cn4c3nc3c4c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)CC2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C ZINC000150455420 571504341 /nfs/dbraw/zinc/50/43/41/571504341.db2.gz YCOHTOGHCKXTMU-UHFFFAOYSA-N 1 1 767.798 1.454 50 0 KDAAMO COc1cc(C(=O)N2CCN(C[C@@H]3C[N@@H+](C[C@@H](O)Cc4ccccc4)CCO3)CC2)cc(OC)c1OC ZINC000169680506 571556933 /nfs/dbraw/zinc/55/69/33/571556933.db2.gz AMYWXJYGYCYVTJ-BJKOFHAPSA-N 1 1 513.635 1.775 50 0 KDAAMO 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COc1cc([C@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc2c1OCCO2 ZINC000409413465 1066205076 /nfs/dbraw/zinc/20/50/76/1066205076.db2.gz FBFJWBVNTUANHB-KPFFTGBYSA-N 1 1 549.580 1.914 50 0 KDAAMO COC(=O)c1ccc([C@@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000409413466 1066205117 /nfs/dbraw/zinc/20/51/17/1066205117.db2.gz FGZQBHXNNSNRCS-LKUPVBHCSA-N 1 1 519.554 1.920 50 0 KDAAMO COC(=O)c1ccc([C@@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000409413466 1066205107 /nfs/dbraw/zinc/20/51/07/1066205107.db2.gz FGZQBHXNNSNRCS-LKUPVBHCSA-N 1 1 519.554 1.920 50 0 KDAAMO COC(=O)c1ccc([C@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000409413468 1066211292 /nfs/dbraw/zinc/21/12/92/1066211292.db2.gz FGZQBHXNNSNRCS-PBEJRMEISA-N 1 1 519.554 1.920 50 0 KDAAMO COC(=O)c1ccc([C@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc1 ZINC000409413468 1066211280 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NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000524730941 1066206629 /nfs/dbraw/zinc/20/66/29/1066206629.db2.gz CZWAPYJCSUJWSF-KPFFTGBYSA-N 1 1 519.554 1.905 50 0 KDAAMO NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O ZINC000524730941 1066206619 /nfs/dbraw/zinc/20/66/19/1066206619.db2.gz CZWAPYJCSUJWSF-KPFFTGBYSA-N 1 1 519.554 1.905 50 0 KDAAMO COc1cc([C@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc(OC)c1O ZINC000524731100 1066206669 /nfs/dbraw/zinc/20/66/69/1066206669.db2.gz KJJUBDGGBVZVQM-AYBZRNKSSA-N 1 1 537.569 1.857 50 0 KDAAMO COc1cc([C@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc(OC)c1O ZINC000524731100 1066206655 /nfs/dbraw/zinc/20/66/55/1066206655.db2.gz KJJUBDGGBVZVQM-AYBZRNKSSA-N 1 1 537.569 1.857 50 0 KDAAMO COc1cc([C@@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc(=O)c2O)cc(OC)c1O ZINC000524731101 1066206520 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/nfs/dbraw/zinc/38/02/35/1066380235.db2.gz HMNDTPFSHHGDLH-KYJUHHDHSA-N 1 1 638.766 1.670 50 0 KDAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc2cccc(c2)OCC(=O)NCCC1 ZINC000952869371 1066380066 /nfs/dbraw/zinc/38/00/66/1066380066.db2.gz HWPVDRMZBHXISH-RQELPRGNSA-N 1 1 676.259 1.618 50 0 KDAAMO Cc1nn(C)c(Cl)c1C[N@@H+]1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc2cccc(c2)OCC(=O)NCCC1 ZINC000952869371 1066380054 /nfs/dbraw/zinc/38/00/54/1066380054.db2.gz HWPVDRMZBHXISH-RQELPRGNSA-N 1 1 676.259 1.618 50 0 KDAAMO Cc1cc(C)c(C[N@H+]2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)c(-n2cccn2)c1 ZINC000952869669 1066380817 /nfs/dbraw/zinc/38/08/17/1066380817.db2.gz LBFUETCPQZRKIY-MFMCTBQISA-N 1 1 609.735 1.931 50 0 KDAAMO Cc1cc(C)c(C[N@@H+]2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)c(-n2cccn2)c1 ZINC000952869669 1066380797 /nfs/dbraw/zinc/38/07/97/1066380797.db2.gz LBFUETCPQZRKIY-MFMCTBQISA-N 1 1 609.735 1.931 50 0 KDAAMO COc1cc2ccc1OCCn1cc(nn1)CC[N@@H+](Cc1cnc(C(C)C)nc1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952870255 1066381252 /nfs/dbraw/zinc/38/12/52/1066381252.db2.gz YZRJCRSFQSXMEV-FYXMTGPRSA-N 1 1 713.840 1.660 50 0 KDAAMO COc1cc2ccc1OCCn1cc(nn1)CC[N@H+](Cc1cnc(C(C)C)nc1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O ZINC000952870255 1066381234 /nfs/dbraw/zinc/38/12/34/1066381234.db2.gz YZRJCRSFQSXMEV-FYXMTGPRSA-N 1 1 713.840 1.660 50 0 KDAAMO Cc1nc(C[N@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)co1 ZINC000952964968 1066391893 /nfs/dbraw/zinc/39/18/93/1066391893.db2.gz AZAZXCCRNONTEO-KRWDZBQOSA-N 1 1 501.584 1.446 50 0 KDAAMO Cc1nc(C[N@@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)co1 ZINC000952964968 1066391881 /nfs/dbraw/zinc/39/18/81/1066391881.db2.gz AZAZXCCRNONTEO-KRWDZBQOSA-N 1 1 501.584 1.446 50 0 KDAAMO Cc1nc(C[N@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)c[nH]1 ZINC000952969219 1066391826 /nfs/dbraw/zinc/39/18/26/1066391826.db2.gz ILAVXVKFPXFXFE-KRWDZBQOSA-N 1 1 500.600 1.182 50 0 KDAAMO Cc1nc(C[N@@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)c[nH]1 ZINC000952969219 1066391812 /nfs/dbraw/zinc/39/18/12/1066391812.db2.gz ILAVXVKFPXFXFE-KRWDZBQOSA-N 1 1 500.600 1.182 50 0 KDAAMO Cc1ncc(C[N@H+]2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)[nH]1 ZINC000952969219 1066391800 /nfs/dbraw/zinc/39/18/00/1066391800.db2.gz ILAVXVKFPXFXFE-KRWDZBQOSA-N 1 1 500.600 1.182 50 0 KDAAMO O=C1CCCn2cc(nn2)CNC(=O)[C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCN2C(=O)[C@H](Cc2ccccc2)N1 ZINC000952971673 1066392322 /nfs/dbraw/zinc/39/23/22/1066392322.db2.gz FTFHSWQOTHQDLO-RRPNLBNLSA-N 1 1 554.655 1.610 50 0 KDAAMO O=C1CCCn2cc(nn2)CNC(=O)[C@H]2C[N@H+](Cc3cccc4[nH]ccc43)CCN2C(=O)[C@H](Cc2ccccc2)N1 ZINC000952971673 1066392310 /nfs/dbraw/zinc/39/23/10/1066392310.db2.gz FTFHSWQOTHQDLO-RRPNLBNLSA-N 1 1 554.655 1.610 50 0 KDAAMO CCC[N@H+]1CCCN(C(=O)[C@H]2Cc3ccc(cc3)OCC(=O)N[C@@H](CC(C)C)C(=O)N(CCOC)CC(=O)N2)CC1 ZINC000952979127 1066393005 /nfs/dbraw/zinc/39/30/05/1066393005.db2.gz WYJSIWCPQNAOKS-IZZNHLLZSA-N 1 1 573.735 1.057 50 0 KDAAMO