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(NCCC[N@@H+]1CCC[C@H](O)C1)N1CCC[NH+](Cc2cccs2)CC1 ZINC000426522914 231235666 /nfs/dbraw/zinc/23/56/66/231235666.db2.gz NOLOZMCWJGOFOV-KRWDZBQOSA-N 2 1 380.558 1.812 50 0 GDAAMP O=C(NCCC[NH+]1CCC[C@H](O)C1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000426522914 231235670 /nfs/dbraw/zinc/23/56/70/231235670.db2.gz NOLOZMCWJGOFOV-KRWDZBQOSA-N 2 1 380.558 1.812 50 0 GDAAMP O=C(NCCC[NH+]1CCC[C@H](O)C1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000426522914 231235674 /nfs/dbraw/zinc/23/56/74/231235674.db2.gz NOLOZMCWJGOFOV-KRWDZBQOSA-N 2 1 380.558 1.812 50 0 GDAAMP Cc1ccc2c(c1)C[N@@H+](CCC(=O)NCCC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC000012051372 204368693 /nfs/dbraw/zinc/36/86/93/204368693.db2.gz XCUUUMPARLSXAH-GOSISDBHSA-N 2 1 375.513 1.807 50 0 GDAAMP Cc1ccc2c(c1)C[N@H+](CCC(=O)NCCC[NH+]1CCOCC1)C[C@@H](C)O2 ZINC000012051372 204368697 /nfs/dbraw/zinc/36/86/97/204368697.db2.gz XCUUUMPARLSXAH-GOSISDBHSA-N 2 1 375.513 1.807 50 0 GDAAMP COc1ccc(F)c(CN2CCC[C@](O)(C[NH+]3CCC([NH+](C)C)CC3)C2=O)c1 ZINC000067818612 205262188 /nfs/dbraw/zinc/26/21/88/205262188.db2.gz NSAFWUHBAPQEDN-NRFANRHFSA-N 2 1 393.503 1.714 50 0 GDAAMP O=C(NC1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071712181 205287438 /nfs/dbraw/zinc/28/74/38/205287438.db2.gz KRJSIDYZWMMAJL-IBGZPJMESA-N 2 1 385.556 1.626 50 0 GDAAMP Nc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cc[nH+]1 ZINC000071751234 205290967 /nfs/dbraw/zinc/29/09/67/205290967.db2.gz YNCXVNCXPUIVLR-MRXNPFEDSA-N 2 1 395.511 1.451 50 0 GDAAMP Nc1nc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)cc[nH+]1 ZINC000071751234 205290971 /nfs/dbraw/zinc/29/09/71/205290971.db2.gz YNCXVNCXPUIVLR-MRXNPFEDSA-N 2 1 395.511 1.451 50 0 GDAAMP O=C(NCCCO)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071759458 205294117 /nfs/dbraw/zinc/29/41/17/205294117.db2.gz RYBZKDHKUAIISI-FQEVSTJZSA-N 2 1 385.552 1.829 50 0 GDAAMP O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072151708 205313123 /nfs/dbraw/zinc/31/31/23/205313123.db2.gz KCULEMRXXURNCJ-LJQANCHMSA-N 2 1 375.513 1.939 50 0 GDAAMP COc1ccc(C(=O)N2CCC[N@@H+](C)C3(CCN(C)CC3)C2)cc1OCC[NH3+] ZINC000426503989 533295052 /nfs/dbraw/zinc/29/50/52/533295052.db2.gz LSOYUXBAJWXPIY-UHFFFAOYSA-N 2 1 390.528 1.275 50 0 GDAAMP COc1ccc(C(=O)N2CCCN(C)C3(CC[NH+](C)CC3)C2)cc1OCC[NH3+] ZINC000426503989 533295057 /nfs/dbraw/zinc/29/50/57/533295057.db2.gz LSOYUXBAJWXPIY-UHFFFAOYSA-N 2 1 390.528 1.275 50 0 GDAAMP CNc1cc[nH+]c(N2CC[C@@H]3C[C@H]([NH+]4CCOCC4)CC[C@@]3(COC)C2)n1 ZINC000095381991 136178747 /nfs/dbraw/zinc/17/87/47/136178747.db2.gz IXQUTIGRDFLQNA-HLIPFELVSA-N 2 1 375.517 1.862 50 0 GDAAMP Cc1cc(C)n(-c2cccc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](O)C3)c2)n1 ZINC000019741154 570212727 /nfs/dbraw/zinc/21/27/27/570212727.db2.gz JSCSYJSIQXVZMN-FGZHOGPDSA-N 2 1 383.540 1.672 50 0 GDAAMP Cc1cc(C)n(-c2cccc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](O)C3)c2)n1 ZINC000019741154 570212730 /nfs/dbraw/zinc/21/27/30/570212730.db2.gz JSCSYJSIQXVZMN-FGZHOGPDSA-N 2 1 383.540 1.672 50 0 GDAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCCSC)c2)CC1 ZINC000019745361 570213612 /nfs/dbraw/zinc/21/36/12/570213612.db2.gz LIVPQHZUAMFFKN-LJQANCHMSA-N 2 1 381.586 1.907 50 0 GDAAMP C[NH+]1CCN(C(=O)CC[C@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)CC1 ZINC000020455220 570258515 /nfs/dbraw/zinc/25/85/15/570258515.db2.gz HAIRCFMXOUUWSO-LJQANCHMSA-N 2 1 378.561 1.655 50 0 GDAAMP C[N@H+]1CCCCC[C@H]1C(=O)N1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000012582749 570684555 /nfs/dbraw/zinc/68/45/55/570684555.db2.gz NRHRTQXQDGYVOV-FQEVSTJZSA-N 2 1 390.572 1.842 50 0 GDAAMP COc1cc(C[NH2+]C2CCN(C)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012752620 570709629 /nfs/dbraw/zinc/70/96/29/570709629.db2.gz ZWWQDKCBXQCAPF-IBGZPJMESA-N 2 1 379.545 1.959 50 0 GDAAMP COc1cc(CNC2CC[NH+](C)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012752620 570709631 /nfs/dbraw/zinc/70/96/31/570709631.db2.gz ZWWQDKCBXQCAPF-IBGZPJMESA-N 2 1 379.545 1.959 50 0 GDAAMP COc1cc(CNC2CC[NH+](C)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012752620 570709633 /nfs/dbraw/zinc/70/96/33/570709633.db2.gz ZWWQDKCBXQCAPF-IBGZPJMESA-N 2 1 379.545 1.959 50 0 GDAAMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012752620 570709635 /nfs/dbraw/zinc/70/96/35/570709635.db2.gz ZWWQDKCBXQCAPF-IBGZPJMESA-N 3 1 379.545 1.959 50 0 GDAAMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012752620 570709636 /nfs/dbraw/zinc/70/96/36/570709636.db2.gz ZWWQDKCBXQCAPF-IBGZPJMESA-N 3 1 379.545 1.959 50 0 GDAAMP Cc1c[nH+]ccc1N1CCN(C(=O)NC2(C[NH+]3CCOCC3)CCCC2)CC1 ZINC000534638513 570912235 /nfs/dbraw/zinc/91/22/35/570912235.db2.gz MDTUHDULUPITOA-UHFFFAOYSA-N 2 1 387.528 1.867 50 0 GDAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cc4c(cc3OC)CCC4)C[C@@H]2CO)CC1 ZINC000095377335 571065279 /nfs/dbraw/zinc/06/52/79/571065279.db2.gz CDELORSDIAJUNH-FGZHOGPDSA-N 2 1 387.568 1.862 50 0 GDAAMP Cc1nncn1CC[N@@H+]1CCC[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000095509478 571080737 /nfs/dbraw/zinc/08/07/37/571080737.db2.gz WRKYTTLJWHKTNK-SFHVURJKSA-N 2 1 376.549 1.631 50 0 GDAAMP COc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1OCC[NH3+] ZINC000426711245 231254068 /nfs/dbraw/zinc/25/40/68/231254068.db2.gz HMTRQQBMQWCHSC-GOSISDBHSA-N 2 1 384.480 1.822 50 0 GDAAMP COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1OCC[NH3+] ZINC000426711245 231254071 /nfs/dbraw/zinc/25/40/71/231254071.db2.gz HMTRQQBMQWCHSC-GOSISDBHSA-N 2 1 384.480 1.822 50 0 GDAAMP O=C(NC1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071479526 205285656 /nfs/dbraw/zinc/28/56/56/205285656.db2.gz FWYVUTVRCAEHDQ-IBGZPJMESA-N 2 1 385.556 1.626 50 0 GDAAMP [NH3+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071551642 205285787 /nfs/dbraw/zinc/28/57/87/205285787.db2.gz ZELJQDKVJKGZPX-OAQYLSRUSA-N 2 1 399.583 1.955 50 0 GDAAMP [NH3+]C1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071748584 205288815 /nfs/dbraw/zinc/28/88/15/205288815.db2.gz IXZFUVQPGHGPSU-IBGZPJMESA-N 2 1 385.556 1.708 50 0 GDAAMP COc1cc(C[NH2+]C2CCN(C)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012752625 570709548 /nfs/dbraw/zinc/70/95/48/570709548.db2.gz ZWWQDKCBXQCAPF-LJQANCHMSA-N 2 1 379.545 1.959 50 0 GDAAMP COc1cc(CNC2CC[NH+](C)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012752625 570709552 /nfs/dbraw/zinc/70/95/52/570709552.db2.gz ZWWQDKCBXQCAPF-LJQANCHMSA-N 2 1 379.545 1.959 50 0 GDAAMP COc1cc(CNC2CC[NH+](C)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012752625 570709556 /nfs/dbraw/zinc/70/95/56/570709556.db2.gz ZWWQDKCBXQCAPF-LJQANCHMSA-N 2 1 379.545 1.959 50 0 GDAAMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012752625 570709558 /nfs/dbraw/zinc/70/95/58/570709558.db2.gz ZWWQDKCBXQCAPF-LJQANCHMSA-N 3 1 379.545 1.959 50 0 GDAAMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012752625 570709561 /nfs/dbraw/zinc/70/95/61/570709561.db2.gz ZWWQDKCBXQCAPF-LJQANCHMSA-N 3 1 379.545 1.959 50 0 GDAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CO)CC1 ZINC000091965923 571038049 /nfs/dbraw/zinc/03/80/49/571038049.db2.gz QWPMJTRAHNRZDP-NHCUHLMSSA-N 2 1 383.540 1.755 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CO)CC1 ZINC000091965923 571038051 /nfs/dbraw/zinc/03/80/51/571038051.db2.gz QWPMJTRAHNRZDP-NHCUHLMSSA-N 2 1 383.540 1.755 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CO)CC1 ZINC000091965923 571038053 /nfs/dbraw/zinc/03/80/53/571038053.db2.gz QWPMJTRAHNRZDP-NHCUHLMSSA-N 2 1 383.540 1.755 50 0 GDAAMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071746828 205289917 /nfs/dbraw/zinc/28/99/17/205289917.db2.gz SGCSTDZKGFXTRI-GOSISDBHSA-N 2 1 387.528 1.421 50 0 GDAAMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071746828 205289921 /nfs/dbraw/zinc/28/99/21/205289921.db2.gz SGCSTDZKGFXTRI-GOSISDBHSA-N 2 1 387.528 1.421 50 0 GDAAMP [NH3+]C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071748585 205290286 /nfs/dbraw/zinc/29/02/86/205290286.db2.gz IXZFUVQPGHGPSU-LJQANCHMSA-N 2 1 385.556 1.708 50 0 GDAAMP O=C(NCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071775822 205297796 /nfs/dbraw/zinc/29/77/96/205297796.db2.gz RATDREQBQAAOLM-OAQYLSRUSA-N 2 1 399.583 1.970 50 0 GDAAMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000082098517 205385541 /nfs/dbraw/zinc/38/55/41/205385541.db2.gz ONTVETRQNIYPHV-NRFANRHFSA-N 2 1 389.544 1.765 50 0 GDAAMP CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)[C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000012432339 570660200 /nfs/dbraw/zinc/66/02/00/570660200.db2.gz HCKNVMPLCOVZDQ-LJQANCHMSA-N 2 1 378.561 1.511 50 0 GDAAMP CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)[C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000012432339 570660205 /nfs/dbraw/zinc/66/02/05/570660205.db2.gz HCKNVMPLCOVZDQ-LJQANCHMSA-N 2 1 378.561 1.511 50 0 GDAAMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](CCc2ccccc2)C1 ZINC000014534746 570848200 /nfs/dbraw/zinc/84/82/00/570848200.db2.gz SJIKAOFNCYZVHC-FGZHOGPDSA-N 3 1 386.584 1.941 50 0 GDAAMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](CN2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014534746 570848201 /nfs/dbraw/zinc/84/82/01/570848201.db2.gz SJIKAOFNCYZVHC-FGZHOGPDSA-N 2 1 386.584 1.941 50 0 GDAAMP C[NH+](C)CCNC(=O)[C@@H]1C[C@H](CN2CCCC2)C[N@@H+](CCc2ccccc2)C1 ZINC000014534746 570848202 /nfs/dbraw/zinc/84/82/02/570848202.db2.gz SJIKAOFNCYZVHC-FGZHOGPDSA-N 2 1 386.584 1.941 50 0 GDAAMP Cc1cccc2cc(C[N@H+]3C[C@H](CO)[C@H](CN4CC[NH+](C)CC4)C3)c(=O)[nH]c12 ZINC000095377783 571065040 /nfs/dbraw/zinc/06/50/40/571065040.db2.gz POQYLESNQPIXEN-WOJBJXKFSA-N 2 1 384.524 1.124 50 0 GDAAMP CNC(=O)CC[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095517697 571084710 /nfs/dbraw/zinc/08/47/10/571084710.db2.gz QCKKCOUZFGSLLA-LJQANCHMSA-N 2 1 377.529 1.870 50 0 GDAAMP C[N@@H+]1CCCN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)CC12CC[NH2+]CC2 ZINC000095521806 571087589 /nfs/dbraw/zinc/08/75/89/571087589.db2.gz GPPPBUJNNHFMTQ-LJQANCHMSA-N 2 1 384.524 1.289 50 0 GDAAMP C[N@H+]1CCCN(C(=O)CN2C[C@H](c3ccccc3)CC2=O)CC12CC[NH2+]CC2 ZINC000095521806 571087593 /nfs/dbraw/zinc/08/75/93/571087593.db2.gz GPPPBUJNNHFMTQ-LJQANCHMSA-N 2 1 384.524 1.289 50 0 GDAAMP COc1cc(C[NH2+]CCn2cccn2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012049972 204368912 /nfs/dbraw/zinc/36/89/12/204368912.db2.gz IXHJOKXVOWUYOK-SFHVURJKSA-N 2 1 376.501 1.761 50 0 GDAAMP O=C([C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071707871 205286688 /nfs/dbraw/zinc/28/66/88/205286688.db2.gz JVSGMXRMWGINDR-FQEVSTJZSA-N 2 1 385.556 1.580 50 0 GDAAMP [NH3+]C1(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)CCC1 ZINC000071751900 205290999 /nfs/dbraw/zinc/29/09/99/205290999.db2.gz WWVSYKZKXKGCOJ-QGZVFWFLSA-N 2 1 399.539 1.282 50 0 GDAAMP Nc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000071750733 205291515 /nfs/dbraw/zinc/29/15/15/205291515.db2.gz REEJVGOLGDLNAB-QGZVFWFLSA-N 2 1 395.511 1.451 50 0 GDAAMP Nc1cc[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000071750733 205291517 /nfs/dbraw/zinc/29/15/17/205291517.db2.gz REEJVGOLGDLNAB-QGZVFWFLSA-N 2 1 395.511 1.451 50 0 GDAAMP O=C(NCC1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071758761 205293492 /nfs/dbraw/zinc/29/34/92/205293492.db2.gz WOECXNKMSIPNBM-NRFANRHFSA-N 2 1 399.583 1.874 50 0 GDAAMP Cc1nc2c(c(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n1)CC[NH2+]CC2 ZINC000072426094 136170034 /nfs/dbraw/zinc/17/00/34/136170034.db2.gz FNFTULKQDZHOEJ-UHFFFAOYSA-N 2 1 381.480 1.524 50 0 GDAAMP COCC[NH+]1CCC(CNC(=O)N2CCC[N@H+](Cc3ccncc3)CC2)CC1 ZINC000426627634 570502562 /nfs/dbraw/zinc/50/25/62/570502562.db2.gz HJCHEDARHZPPJB-UHFFFAOYSA-N 2 1 389.544 1.657 50 0 GDAAMP COCC[NH+]1CCC(CNC(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)CC1 ZINC000426627634 570502567 /nfs/dbraw/zinc/50/25/67/570502567.db2.gz HJCHEDARHZPPJB-UHFFFAOYSA-N 2 1 389.544 1.657 50 0 GDAAMP Cc1ncc(CO)c(C[N@@H+]2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)c1O ZINC000091998151 571040015 /nfs/dbraw/zinc/04/00/15/571040015.db2.gz CFRCNXREBRVDDD-NRFANRHFSA-N 2 1 390.528 1.354 50 0 GDAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1nonc1C ZINC000012315184 204396028 /nfs/dbraw/zinc/39/60/28/204396028.db2.gz XQJFAJODEOGKNQ-SFHVURJKSA-N 2 1 393.532 1.663 50 0 GDAAMP [NH3+]C1(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)CC1 ZINC000071439514 205283917 /nfs/dbraw/zinc/28/39/17/205283917.db2.gz GGNKRMRJJXKTFF-LJQANCHMSA-N 2 1 398.551 1.540 50 0 GDAAMP Cc1c[nH+]ccc1NCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000072171643 205315119 /nfs/dbraw/zinc/31/51/19/205315119.db2.gz SAPYQOCKLUUQMA-IBGZPJMESA-N 2 1 387.528 1.689 50 0 GDAAMP C[NH+](C)CCC[NH+]1CCC(N2C[C@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299767671 206186783 /nfs/dbraw/zinc/18/67/83/206186783.db2.gz JGWPNYRSEWQDLB-HXUWFJFHSA-N 2 1 393.503 1.848 50 0 GDAAMP C[C@@H]1CN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC[N@H+]1C ZINC000067674311 136164869 /nfs/dbraw/zinc/16/48/69/136164869.db2.gz JAWHQYKZZYYTSY-QGZVFWFLSA-N 2 1 387.528 1.159 50 0 GDAAMP CC(=O)NCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012091617 570607797 /nfs/dbraw/zinc/60/77/97/570607797.db2.gz IWPLDTNKYLKQEB-SFHVURJKSA-N 2 1 392.519 1.564 50 0 GDAAMP Cn1cc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)c(-c2ccccc2)n1 ZINC000095391960 571073018 /nfs/dbraw/zinc/07/30/18/571073018.db2.gz TUMKXZJZGWPLQW-UYAOXDASSA-N 2 1 384.524 1.584 50 0 GDAAMP Cn1cc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)c(-c2ccccc2)n1 ZINC000095391960 571073021 /nfs/dbraw/zinc/07/30/21/571073021.db2.gz TUMKXZJZGWPLQW-UYAOXDASSA-N 2 1 384.524 1.584 50 0 GDAAMP C[N@@H+](Cc1ccccc1)C1CCN(C(=O)NCC[NH+]2CCC[C@H](CO)C2)CC1 ZINC000426477137 529998574 /nfs/dbraw/zinc/99/85/74/529998574.db2.gz ALRMOTYALVXULW-FQEVSTJZSA-N 2 1 388.556 1.997 50 0 GDAAMP C[NH+](Cc1ccccc1)C1CCN(C(=O)NCC[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000426477137 529998575 /nfs/dbraw/zinc/99/85/75/529998575.db2.gz ALRMOTYALVXULW-FQEVSTJZSA-N 2 1 388.556 1.997 50 0 GDAAMP C[NH+](Cc1ccccc1)C1CCN(C(=O)NCC[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000426477137 529998577 /nfs/dbraw/zinc/99/85/77/529998577.db2.gz ALRMOTYALVXULW-FQEVSTJZSA-N 2 1 388.556 1.997 50 0 GDAAMP CNC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071405837 205284219 /nfs/dbraw/zinc/28/42/19/205284219.db2.gz WDKFZJGFAYXAHS-QGZVFWFLSA-N 2 1 387.528 1.010 50 0 GDAAMP CNC(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071405837 205284223 /nfs/dbraw/zinc/28/42/23/205284223.db2.gz WDKFZJGFAYXAHS-QGZVFWFLSA-N 2 1 387.528 1.010 50 0 GDAAMP C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071749771 205288679 /nfs/dbraw/zinc/28/86/79/205288679.db2.gz BERLCMOZZYIYQV-NRFANRHFSA-N 2 1 399.583 1.922 50 0 GDAAMP C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071749771 205288683 /nfs/dbraw/zinc/28/86/83/205288683.db2.gz BERLCMOZZYIYQV-NRFANRHFSA-N 2 1 399.583 1.922 50 0 GDAAMP C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071749771 205288688 /nfs/dbraw/zinc/28/86/88/205288688.db2.gz BERLCMOZZYIYQV-NRFANRHFSA-N 2 1 399.583 1.922 50 0 GDAAMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071754092 205291828 /nfs/dbraw/zinc/29/18/28/205291828.db2.gz KGARTSQXGLSIDR-NRFANRHFSA-N 2 1 399.583 1.922 50 0 GDAAMP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071754092 205291830 /nfs/dbraw/zinc/29/18/30/205291830.db2.gz KGARTSQXGLSIDR-NRFANRHFSA-N 2 1 399.583 1.922 50 0 GDAAMP COc1ccc(C[NH2+]C2CCCC2)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000019745107 570213189 /nfs/dbraw/zinc/21/31/89/570213189.db2.gz QWNPSKGUWQBZPY-LJQANCHMSA-N 2 1 377.529 1.715 50 0 GDAAMP Cn1cncc1C[NH+]1CCC2(CC1)CC[N@H+](Cc1cscn1)C[C@H]2CO ZINC000097819445 570257654 /nfs/dbraw/zinc/25/76/54/570257654.db2.gz DFMLSAXMKAMWSK-INIZCTEOSA-N 2 1 375.542 1.973 50 0 GDAAMP Cn1cncc1C[NH+]1CCC2(CC1)CC[N@@H+](Cc1cscn1)C[C@H]2CO ZINC000097819445 570257657 /nfs/dbraw/zinc/25/76/57/570257657.db2.gz DFMLSAXMKAMWSK-INIZCTEOSA-N 3 1 375.542 1.973 50 0 GDAAMP CCn1ncc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1C ZINC000020907317 570284035 /nfs/dbraw/zinc/28/40/35/570284035.db2.gz BGYJXJWOPJCADU-NRFANRHFSA-N 2 1 377.577 1.953 50 0 GDAAMP CCn1ncc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1C ZINC000020907317 570284038 /nfs/dbraw/zinc/28/40/38/570284038.db2.gz BGYJXJWOPJCADU-NRFANRHFSA-N 2 1 377.577 1.953 50 0 GDAAMP [NH3+]Cc1cn(C[C@@H]2CCC[N@@H+](Cc3cc(=O)n4c5c(cccc35)CCC4)C2)nn1 ZINC000023581252 570365897 /nfs/dbraw/zinc/36/58/97/570365897.db2.gz YKHUXDFNEHPBGV-MRXNPFEDSA-N 2 1 392.507 1.910 50 0 GDAAMP CCOC(=O)N1CCC([N@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)CC1 ZINC000221293489 570392748 /nfs/dbraw/zinc/39/27/48/570392748.db2.gz GNHIUELLBODEHC-SFHVURJKSA-N 2 1 379.505 1.305 50 0 GDAAMP COc1c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)nn1C ZINC000108420907 570988357 /nfs/dbraw/zinc/98/83/57/570988357.db2.gz YLCBYYMAQZCLSI-SFHVURJKSA-N 2 1 385.512 1.724 50 0 GDAAMP COc1c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)nn1C ZINC000108420907 570988359 /nfs/dbraw/zinc/98/83/59/570988359.db2.gz YLCBYYMAQZCLSI-SFHVURJKSA-N 2 1 385.512 1.724 50 0 GDAAMP COc1c(C)cc(C)cc1C[N@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000091665090 571024830 /nfs/dbraw/zinc/02/48/30/571024830.db2.gz XXJCYPGURFXYKY-NHCUHLMSSA-N 2 1 375.557 1.990 50 0 GDAAMP COc1c(C)cc(C)cc1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091665090 571024831 /nfs/dbraw/zinc/02/48/31/571024831.db2.gz XXJCYPGURFXYKY-NHCUHLMSSA-N 2 1 375.557 1.990 50 0 GDAAMP COc1c(C)cc(C)cc1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091665090 571024834 /nfs/dbraw/zinc/02/48/34/571024834.db2.gz XXJCYPGURFXYKY-NHCUHLMSSA-N 2 1 375.557 1.990 50 0 GDAAMP CN1CC[NH+]([C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)o3)C[C@H]2CCCO)CC1 ZINC000091858650 571033669 /nfs/dbraw/zinc/03/36/69/571033669.db2.gz BKTNAPJAIJBBSD-MJGOQNOKSA-N 2 1 392.544 1.192 50 0 GDAAMP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)C[C@@H]2CO)CC1 ZINC000095378508 571065641 /nfs/dbraw/zinc/06/56/41/571065641.db2.gz NBCASMYZADVVOK-IAGOWNOFSA-N 2 1 387.446 1.873 50 0 GDAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)C[C@@H]2CO)CC1 ZINC000095378508 571065643 /nfs/dbraw/zinc/06/56/43/571065643.db2.gz NBCASMYZADVVOK-IAGOWNOFSA-N 2 1 387.446 1.873 50 0 GDAAMP CC[N@@H+](Cc1cc(OC)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1)C1CC1 ZINC000095508152 571079914 /nfs/dbraw/zinc/07/99/14/571079914.db2.gz JQKPCRBZEOCMOU-LJQANCHMSA-N 2 1 378.513 1.876 50 0 GDAAMP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3c[nH+]c(C)n3C)CC2)C1 ZINC000067713071 205256575 /nfs/dbraw/zinc/25/65/75/205256575.db2.gz PQRQQTPGGVOEIO-QGZVFWFLSA-N 2 1 377.533 1.168 50 0 GDAAMP COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3c[nH+]c(C)n3C)CC2)C1 ZINC000067713071 205256577 /nfs/dbraw/zinc/25/65/77/205256577.db2.gz PQRQQTPGGVOEIO-QGZVFWFLSA-N 2 1 377.533 1.168 50 0 GDAAMP C[N@@H+]1CCC[C@H]1CNC(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000067714027 205256607 /nfs/dbraw/zinc/25/66/07/205256607.db2.gz IVNRIWRLPDXWRQ-IBGZPJMESA-N 2 1 397.523 1.816 50 0 GDAAMP C[N@H+]1CCC[C@H]1CNC(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000067714027 205256609 /nfs/dbraw/zinc/25/66/09/205256609.db2.gz IVNRIWRLPDXWRQ-IBGZPJMESA-N 2 1 397.523 1.816 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)CCC4CC4)CC3)C2)CC1 ZINC000071422321 205283940 /nfs/dbraw/zinc/28/39/40/205283940.db2.gz IUUYIFTZNBNDRU-IBGZPJMESA-N 2 1 390.572 1.654 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)CCC4CC4)CC3)C2)CC1 ZINC000071422321 205283946 /nfs/dbraw/zinc/28/39/46/205283946.db2.gz IUUYIFTZNBNDRU-IBGZPJMESA-N 2 1 390.572 1.654 50 0 GDAAMP CNC(=O)C[NH+]1CCC2(CN(CCC[N@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077438294 205362561 /nfs/dbraw/zinc/36/25/61/205362561.db2.gz NGSZBJUDFKMMKR-UHFFFAOYSA-N 2 1 380.533 1.674 50 0 GDAAMP CNC(=O)C[NH+]1CCC2(CN(CCC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077438294 205362566 /nfs/dbraw/zinc/36/25/66/205362566.db2.gz NGSZBJUDFKMMKR-UHFFFAOYSA-N 2 1 380.533 1.674 50 0 GDAAMP C[NH+]1CCN(C[C@@H]2C[N@H+](C3CCN(c4ccc(F)cc4)CC3)C[C@@H]2CO)CC1 ZINC000095379468 536414325 /nfs/dbraw/zinc/41/43/25/536414325.db2.gz FYKMIKTXYZVXDZ-RTBURBONSA-N 2 1 390.547 1.582 50 0 GDAAMP Cc1nc2sccn2c1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091914664 571036233 /nfs/dbraw/zinc/03/62/33/571036233.db2.gz FQYKNCPYCOXJJQ-IAGOWNOFSA-N 2 1 377.558 1.382 50 0 GDAAMP Cc1nc2sccn2c1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091914664 571036235 /nfs/dbraw/zinc/03/62/35/571036235.db2.gz FQYKNCPYCOXJJQ-IAGOWNOFSA-N 2 1 377.558 1.382 50 0 GDAAMP Cc1nc2sccn2c1C[N@@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000091914664 571036238 /nfs/dbraw/zinc/03/62/38/571036238.db2.gz FQYKNCPYCOXJJQ-IAGOWNOFSA-N 2 1 377.558 1.382 50 0 GDAAMP Cc1nc2sccn2c1C[N@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000091914664 571036241 /nfs/dbraw/zinc/03/62/41/571036241.db2.gz FQYKNCPYCOXJJQ-IAGOWNOFSA-N 2 1 377.558 1.382 50 0 GDAAMP COc1cc(C[N@H+]2CCCOCC2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000095516844 571084383 /nfs/dbraw/zinc/08/43/83/571084383.db2.gz ACYZMUZJSDLOIV-LJQANCHMSA-N 2 1 394.512 1.114 50 0 GDAAMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(-c3c[nH+]ccc3N)cc2)C1 ZINC000426641294 231248499 /nfs/dbraw/zinc/24/84/99/231248499.db2.gz AHJXAVBSNPKEIM-QGZVFWFLSA-N 2 1 381.480 1.478 50 0 GDAAMP Cc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nc(N(C)C)[nH+]1 ZINC000071753713 205291906 /nfs/dbraw/zinc/29/19/06/205291906.db2.gz RBZXRVXCPGUHAR-INIZCTEOSA-N 2 1 386.544 1.810 50 0 GDAAMP [NH3+]CCCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071760217 205293303 /nfs/dbraw/zinc/29/33/03/205293303.db2.gz BTUCUONFCRETNP-GOSISDBHSA-N 2 1 387.528 1.140 50 0 GDAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCc1ccc(C(=O)N3CCCC3)cc1)CC[NH2+]CC2 ZINC000072425145 205348588 /nfs/dbraw/zinc/34/85/88/205348588.db2.gz QSEOYUOADNKBPT-LJQANCHMSA-N 2 1 384.524 1.613 50 0 GDAAMP COc1cc(C[N@@H+]2CCN(c3cc(C)[nH+]c(N)n3)C[C@H]2CCO)cc(OC)c1 ZINC000072409185 136169688 /nfs/dbraw/zinc/16/96/88/136169688.db2.gz HQSDVVUDBMWODF-MRXNPFEDSA-N 2 1 387.484 1.458 50 0 GDAAMP COc1cc(C[N@H+]2CCN(c3cc(C)[nH+]c(N)n3)C[C@H]2CCO)cc(OC)c1 ZINC000072409185 136169689 /nfs/dbraw/zinc/16/96/89/136169689.db2.gz HQSDVVUDBMWODF-MRXNPFEDSA-N 2 1 387.484 1.458 50 0 GDAAMP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1nc(N(C)C)cc[nH+]1)C2 ZINC000095362805 136178109 /nfs/dbraw/zinc/17/81/09/136178109.db2.gz AXYVXOSTKWSWCL-OPYAIIAOSA-N 2 1 389.544 1.886 50 0 GDAAMP Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccco4)C3)CC2)nc(N)[nH+]1 ZINC000095528462 136181631 /nfs/dbraw/zinc/18/16/31/136181631.db2.gz ZDHVBNUWGQJRGL-INIZCTEOSA-N 2 1 384.484 1.521 50 0 GDAAMP C[NH+]1CCC(Oc2ccc(NC(=O)NC[C@H]3COCC[N@@H+](C)C3)cc2)CC1 ZINC000096130970 570210656 /nfs/dbraw/zinc/21/06/56/570210656.db2.gz WBYUEZDECVHNHP-MRXNPFEDSA-N 2 1 376.501 1.859 50 0 GDAAMP C[N@@H+](CCNC(=O)CCc1nc(C2=CC[NH+](C)CC2)no1)Cc1ccccc1 ZINC000033069163 570776604 /nfs/dbraw/zinc/77/66/04/570776604.db2.gz LZBGRIJXNTWQLO-UHFFFAOYSA-N 2 1 383.496 1.969 50 0 GDAAMP C[NH+](CCNC(=O)CCc1nc(C2=CC[N@H+](C)CC2)no1)Cc1ccccc1 ZINC000033069163 570776605 /nfs/dbraw/zinc/77/66/05/570776605.db2.gz LZBGRIJXNTWQLO-UHFFFAOYSA-N 2 1 383.496 1.969 50 0 GDAAMP C[NH+](CCNC(=O)CCc1nc(C2=CC[N@@H+](C)CC2)no1)Cc1ccccc1 ZINC000033069163 570776606 /nfs/dbraw/zinc/77/66/06/570776606.db2.gz LZBGRIJXNTWQLO-UHFFFAOYSA-N 2 1 383.496 1.969 50 0 GDAAMP COCC[N@H+](C)C[C@@H]1CN(c2nc(N3CCCC3)[nH+]c(C)c2C)C[C@@H]1CO ZINC000091664820 571024867 /nfs/dbraw/zinc/02/48/67/571024867.db2.gz YBORYRUNGWMNSJ-QZTJIDSGSA-N 2 1 377.533 1.317 50 0 GDAAMP COCC[N@@H+](C)C[C@@H]1CN(c2nc(N3CCCC3)[nH+]c(C)c2C)C[C@@H]1CO ZINC000091664820 571024869 /nfs/dbraw/zinc/02/48/69/571024869.db2.gz YBORYRUNGWMNSJ-QZTJIDSGSA-N 2 1 377.533 1.317 50 0 GDAAMP COc1ccc(C[N@@H+](C)CC2CCC2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095516800 571084350 /nfs/dbraw/zinc/08/43/50/571084350.db2.gz HEMZRMJWKPABDE-HXUWFJFHSA-N 2 1 391.556 1.914 50 0 GDAAMP COc1ccc(C[N@H+](C)CC2CCC2)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095516800 571084356 /nfs/dbraw/zinc/08/43/56/571084356.db2.gz HEMZRMJWKPABDE-HXUWFJFHSA-N 2 1 391.556 1.914 50 0 GDAAMP COc1ccc(C[N@@H+](C)CC2CCC2)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095516800 571084359 /nfs/dbraw/zinc/08/43/59/571084359.db2.gz HEMZRMJWKPABDE-HXUWFJFHSA-N 2 1 391.556 1.914 50 0 GDAAMP C[N@@H+]1CCCN(C(=O)CN2C[C@@H](c3ccccc3)CC2=O)CC12CC[NH2+]CC2 ZINC000095521807 571087758 /nfs/dbraw/zinc/08/77/58/571087758.db2.gz GPPPBUJNNHFMTQ-IBGZPJMESA-N 2 1 384.524 1.289 50 0 GDAAMP C[N@H+]1CCCN(C(=O)CN2C[C@@H](c3ccccc3)CC2=O)CC12CC[NH2+]CC2 ZINC000095521807 571087761 /nfs/dbraw/zinc/08/77/61/571087761.db2.gz GPPPBUJNNHFMTQ-IBGZPJMESA-N 2 1 384.524 1.289 50 0 GDAAMP [NH3+]CCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071751815 205292201 /nfs/dbraw/zinc/29/22/01/205292201.db2.gz JHJCYYGGWVFAHC-INIZCTEOSA-N 2 1 385.512 1.974 50 0 GDAAMP [NH3+]C1CN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](C4Cc5ccccc5C4)CC3)C2)C1 ZINC000071760761 205292782 /nfs/dbraw/zinc/29/27/82/205292782.db2.gz JHOXOLCIKSNORG-IBGZPJMESA-N 3 1 382.552 1.500 50 0 GDAAMP [NH3+]C1CN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C4Cc5ccccc5C4)CC3)C2)C1 ZINC000071760761 205292786 /nfs/dbraw/zinc/29/27/86/205292786.db2.gz JHOXOLCIKSNORG-IBGZPJMESA-N 2 1 382.552 1.500 50 0 GDAAMP [NH3+]C1CN(C(=O)[C@H]2CCC[N@H+](C3CCN(C4Cc5ccccc5C4)CC3)C2)C1 ZINC000071760761 205292789 /nfs/dbraw/zinc/29/27/89/205292789.db2.gz JHOXOLCIKSNORG-IBGZPJMESA-N 2 1 382.552 1.500 50 0 GDAAMP Cc1c[nH+]ccc1NCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000072171642 205314661 /nfs/dbraw/zinc/31/46/61/205314661.db2.gz SAPYQOCKLUUQMA-LJQANCHMSA-N 2 1 387.528 1.689 50 0 GDAAMP CCc1cc(N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)nc(N2CCCC2)[nH+]1 ZINC000077535771 205365002 /nfs/dbraw/zinc/36/50/02/205365002.db2.gz RWVZWAGRQQPCCS-HXUWFJFHSA-N 2 1 375.517 1.303 50 0 GDAAMP CCOC(=O)N1CCC([N@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)CC1 ZINC000221293433 570392767 /nfs/dbraw/zinc/39/27/67/570392767.db2.gz GNHIUELLBODEHC-GOSISDBHSA-N 2 1 379.505 1.305 50 0 GDAAMP C[NH+]1CCN([C@@H]2CC[N@@H+](C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@H]2O)CC1 ZINC000019338457 570976514 /nfs/dbraw/zinc/97/65/14/570976514.db2.gz PEBJSLAILAAEPF-DNQXCXABSA-N 2 1 398.595 1.827 50 0 GDAAMP C[NH+]1CCN([C@@H]2CC[N@H+](C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@H]2O)CC1 ZINC000019338457 570976518 /nfs/dbraw/zinc/97/65/18/570976518.db2.gz PEBJSLAILAAEPF-DNQXCXABSA-N 2 1 398.595 1.827 50 0 GDAAMP COCC[N@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)C[NH+]2CCc3ccccc3C2)C1 ZINC000091645990 571022703 /nfs/dbraw/zinc/02/27/03/571022703.db2.gz OBAOFFKCZPIBLJ-MOPGFXCFSA-N 2 1 389.540 1.080 50 0 GDAAMP COCC[N@@H+](C)C[C@H]1C[C@H](CO)CN(C(=O)C[NH+]2CCc3ccccc3C2)C1 ZINC000091645990 571022707 /nfs/dbraw/zinc/02/27/07/571022707.db2.gz OBAOFFKCZPIBLJ-MOPGFXCFSA-N 2 1 389.540 1.080 50 0 GDAAMP COCC[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000091645990 571022711 /nfs/dbraw/zinc/02/27/11/571022711.db2.gz OBAOFFKCZPIBLJ-MOPGFXCFSA-N 2 1 389.540 1.080 50 0 GDAAMP COCC[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000091645990 571022716 /nfs/dbraw/zinc/02/27/16/571022716.db2.gz OBAOFFKCZPIBLJ-MOPGFXCFSA-N 2 1 389.540 1.080 50 0 GDAAMP CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000011839087 204355987 /nfs/dbraw/zinc/35/59/87/204355987.db2.gz XOWOIGDZFKPCKD-LJQANCHMSA-N 2 1 378.561 1.698 50 0 GDAAMP CC[C@H]1CN(C(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)CC[NH2+]1 ZINC000067982454 205269736 /nfs/dbraw/zinc/26/97/36/205269736.db2.gz ZVSKCFINQTWNCL-IBGZPJMESA-N 2 1 397.523 1.816 50 0 GDAAMP C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071762699 205294922 /nfs/dbraw/zinc/29/49/22/205294922.db2.gz HLNMZRFUCHNTFN-FQEVSTJZSA-N 2 1 399.583 1.968 50 0 GDAAMP CCc1ncc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2ncc[nH]2)C[C@H]3CO)cn1 ZINC000097657075 570248969 /nfs/dbraw/zinc/24/89/69/570248969.db2.gz OQNZOLHSQXUPDS-SFHVURJKSA-N 2 1 384.528 1.859 50 0 GDAAMP CCc1ncc(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2ncc[nH]2)C[C@H]3CO)cn1 ZINC000097657075 570248973 /nfs/dbraw/zinc/24/89/73/570248973.db2.gz OQNZOLHSQXUPDS-SFHVURJKSA-N 2 1 384.528 1.859 50 0 GDAAMP O=c1occ(C[NH+]2CCCCC2)c(O)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000101411334 570822526 /nfs/dbraw/zinc/82/25/26/570822526.db2.gz YOJBIUSUSUNNPP-UHFFFAOYSA-N 2 1 391.512 1.628 50 0 GDAAMP COc1cccc(OC)c1C[N@H+]1CC[C@@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091526851 571012805 /nfs/dbraw/zinc/01/28/05/571012805.db2.gz LNXLFLNVNVCWQB-OAQYLSRUSA-N 2 1 378.513 1.999 50 0 GDAAMP CNC(=O)C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)c(OC)c1 ZINC000095505381 571078557 /nfs/dbraw/zinc/07/85/57/571078557.db2.gz RJYGNJBAPLRZQT-SFHVURJKSA-N 2 1 393.528 1.489 50 0 GDAAMP CNC(=O)C[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCC2)c(OC)c1 ZINC000095505381 571078558 /nfs/dbraw/zinc/07/85/58/571078558.db2.gz RJYGNJBAPLRZQT-SFHVURJKSA-N 2 1 393.528 1.489 50 0 GDAAMP C[N@@H+](Cc1cccnc1)Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000011937881 204364145 /nfs/dbraw/zinc/36/41/45/204364145.db2.gz MTXIXASYYKKCLW-OAQYLSRUSA-N 2 1 385.508 1.910 50 0 GDAAMP Cc1nc(CC[NH2+]Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)n[nH]1 ZINC000012313796 204395168 /nfs/dbraw/zinc/39/51/68/204395168.db2.gz BOSFATXOCHTDSH-QGZVFWFLSA-N 2 1 391.541 1.234 50 0 GDAAMP NC(=O)C1([NH+]2CCCCC2)CCN(C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)CC1 ZINC000063857432 205187389 /nfs/dbraw/zinc/18/73/89/205187389.db2.gz AQIQQJAVCWGTMB-WIYYLYMNSA-N 2 1 378.561 1.172 50 0 GDAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](CCCn3ccnc3)CC2)C1)N1CCOCC1 ZINC000071738633 205288032 /nfs/dbraw/zinc/28/80/32/205288032.db2.gz GPMVGMDTQWVGBK-IBGZPJMESA-N 2 1 389.544 1.308 50 0 GDAAMP C[C@H]1CN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC[N@H+]1C ZINC000067674312 136164750 /nfs/dbraw/zinc/16/47/50/136164750.db2.gz JAWHQYKZZYYTSY-KRWDZBQOSA-N 2 1 387.528 1.159 50 0 GDAAMP COc1cc(C[N@@H+]2CCN(c3cc(C)[nH+]c(N)n3)C[C@@H]2CCO)cc(OC)c1 ZINC000106950610 136191578 /nfs/dbraw/zinc/19/15/78/136191578.db2.gz HQSDVVUDBMWODF-INIZCTEOSA-N 2 1 387.484 1.458 50 0 GDAAMP COc1cc(C[N@H+]2CCN(c3cc(C)[nH+]c(N)n3)C[C@@H]2CCO)cc(OC)c1 ZINC000106950610 136191579 /nfs/dbraw/zinc/19/15/79/136191579.db2.gz HQSDVVUDBMWODF-INIZCTEOSA-N 2 1 387.484 1.458 50 0 GDAAMP [NH3+]Cc1cn(C[C@H]2CCC[N@@H+](Cc3cc(=O)n4c5c(cccc35)CCC4)C2)nn1 ZINC000023581254 570365916 /nfs/dbraw/zinc/36/59/16/570365916.db2.gz YKHUXDFNEHPBGV-INIZCTEOSA-N 2 1 392.507 1.910 50 0 GDAAMP Cc1c(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237775036 570396439 /nfs/dbraw/zinc/39/64/39/570396439.db2.gz YXCCQXJWCUUMJY-RLFYNMQTSA-N 2 1 390.532 1.225 50 0 GDAAMP C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000012582740 570684462 /nfs/dbraw/zinc/68/44/62/570684462.db2.gz NRHRTQXQDGYVOV-HXUWFJFHSA-N 2 1 390.572 1.842 50 0 GDAAMP COc1cccc(C[N@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1OC ZINC000091906747 571035749 /nfs/dbraw/zinc/03/57/49/571035749.db2.gz VJRRUTPRIGJGRL-OAQYLSRUSA-N 2 1 378.513 1.999 50 0 GDAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc4nonc4c3)C[C@@H]2CCO)CC1 ZINC000095348798 571050295 /nfs/dbraw/zinc/05/02/95/571050295.db2.gz OIWDMQGIPRXMTJ-IBGZPJMESA-N 2 1 387.528 1.964 50 0 GDAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc4nonc4c3)C[C@@H]2CCO)CC1 ZINC000095348798 571050296 /nfs/dbraw/zinc/05/02/96/571050296.db2.gz OIWDMQGIPRXMTJ-IBGZPJMESA-N 2 1 387.528 1.964 50 0 GDAAMP NC(=O)CC[N@@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095509194 571080745 /nfs/dbraw/zinc/08/07/45/571080745.db2.gz KCTVAIWLOYUFAA-HXUWFJFHSA-N 2 1 386.540 1.698 50 0 GDAAMP NC(=O)CC[N@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095509194 571080746 /nfs/dbraw/zinc/08/07/46/571080746.db2.gz KCTVAIWLOYUFAA-HXUWFJFHSA-N 2 1 386.540 1.698 50 0 GDAAMP NC(=O)CC[N@@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095509193 571080754 /nfs/dbraw/zinc/08/07/54/571080754.db2.gz KCTVAIWLOYUFAA-FQEVSTJZSA-N 2 1 386.540 1.698 50 0 GDAAMP NC(=O)CC[N@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095509193 571080756 /nfs/dbraw/zinc/08/07/56/571080756.db2.gz KCTVAIWLOYUFAA-FQEVSTJZSA-N 2 1 386.540 1.698 50 0 GDAAMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000058918596 205178105 /nfs/dbraw/zinc/17/81/05/205178105.db2.gz UEJXVDSHURYSDN-KRWDZBQOSA-N 2 1 388.560 1.784 50 0 GDAAMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000058918596 205178108 /nfs/dbraw/zinc/17/81/08/205178108.db2.gz UEJXVDSHURYSDN-KRWDZBQOSA-N 2 1 388.560 1.784 50 0 GDAAMP C[N@H+]1CC[C@H](CNc2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)C1 ZINC000067743132 205257968 /nfs/dbraw/zinc/25/79/68/205257968.db2.gz KLCJSKRDCXVFSP-QGZVFWFLSA-N 2 1 387.528 1.382 50 0 GDAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCNC(=O)CC1 ZINC000071755513 205292640 /nfs/dbraw/zinc/29/26/40/205292640.db2.gz JNDKMMBRUBSXPZ-FQEVSTJZSA-N 2 1 398.551 1.712 50 0 GDAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCNC(=O)CC1 ZINC000071755513 205292644 /nfs/dbraw/zinc/29/26/44/205292644.db2.gz JNDKMMBRUBSXPZ-FQEVSTJZSA-N 2 1 398.551 1.712 50 0 GDAAMP CCc1cc(N2CCC([N@@H+]3CCCO[C@@H](C)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000095499430 536144600 /nfs/dbraw/zinc/14/46/00/536144600.db2.gz GIYYKHVMFJVXFN-KRWDZBQOSA-N 2 1 389.544 1.955 50 0 GDAAMP CCc1cc(N2CCC([N@H+]3CCCO[C@@H](C)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000095499430 536144606 /nfs/dbraw/zinc/14/46/06/536144606.db2.gz GIYYKHVMFJVXFN-KRWDZBQOSA-N 2 1 389.544 1.955 50 0 GDAAMP CCCC[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000019741649 570212909 /nfs/dbraw/zinc/21/29/09/570212909.db2.gz XMZYFCNQJAIIOX-IBGZPJMESA-N 2 1 379.545 1.914 50 0 GDAAMP CCCC[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000019741649 570212913 /nfs/dbraw/zinc/21/29/13/570212913.db2.gz XMZYFCNQJAIIOX-IBGZPJMESA-N 2 1 379.545 1.914 50 0 GDAAMP CCCC[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000019741649 570212914 /nfs/dbraw/zinc/21/29/14/570212914.db2.gz XMZYFCNQJAIIOX-IBGZPJMESA-N 2 1 379.545 1.914 50 0 GDAAMP Cn1ccnc1SCCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000096165512 570217570 /nfs/dbraw/zinc/21/75/70/570217570.db2.gz HXKWUOAAVZFINN-YLJYHZDGSA-N 2 1 385.537 1.350 50 0 GDAAMP CC[NH+]1CCN(Cc2cc(C)cc(C[N@H+]3CC[C@](C)(O)[C@@H](O)C3)c2C)CC1 ZINC000096166284 570218250 /nfs/dbraw/zinc/21/82/50/570218250.db2.gz UATTUWUIFHPSEJ-VXKWHMMOSA-N 2 1 375.557 1.759 50 0 GDAAMP Cc1ncc2c(c1-c1noc(C[NH+]3CCCCC3)n1)CCN(C(=O)[C@H](C)[NH3+])C2 ZINC000023250338 570352684 /nfs/dbraw/zinc/35/26/84/570352684.db2.gz ZVXGOJJSLUHFSR-ZDUSSCGKSA-N 2 1 384.484 1.658 50 0 GDAAMP CCc1[nH+]ccn1CCC(=O)N1CC[C@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091665438 571024756 /nfs/dbraw/zinc/02/47/56/571024756.db2.gz HDXDKYBSRZCLEY-FQEVSTJZSA-N 2 1 378.517 1.157 50 0 GDAAMP Cc1cc(N2CCN(C(=O)[C@H](C)[N@H+]3CCc4ccccc4C3)CC2)nc(N)[nH+]1 ZINC000095382836 136178775 /nfs/dbraw/zinc/17/87/75/136178775.db2.gz FFNQOBFXAIKBDP-INIZCTEOSA-N 2 1 380.496 1.463 50 0 GDAAMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283039900 570513895 /nfs/dbraw/zinc/51/38/95/570513895.db2.gz IHZZFWNIUOJNJK-ICSRJNTNSA-N 2 1 384.524 1.387 50 0 GDAAMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283039900 570513898 /nfs/dbraw/zinc/51/38/98/570513898.db2.gz IHZZFWNIUOJNJK-ICSRJNTNSA-N 2 1 384.524 1.387 50 0 GDAAMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283039903 570513995 /nfs/dbraw/zinc/51/39/95/570513995.db2.gz IHZZFWNIUOJNJK-QUCCMNQESA-N 2 1 384.524 1.387 50 0 GDAAMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283039903 570513997 /nfs/dbraw/zinc/51/39/97/570513997.db2.gz IHZZFWNIUOJNJK-QUCCMNQESA-N 2 1 384.524 1.387 50 0 GDAAMP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2CCCO)CC1 ZINC000095376792 571064728 /nfs/dbraw/zinc/06/47/28/571064728.db2.gz KOGCQQDHEOOLKX-UXHICEINSA-N 2 1 399.543 1.077 50 0 GDAAMP CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000011839086 204356179 /nfs/dbraw/zinc/35/61/79/204356179.db2.gz XOWOIGDZFKPCKD-IBGZPJMESA-N 2 1 378.561 1.698 50 0 GDAAMP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH+]2CCSCC2)c1 ZINC000012074300 221146940 /nfs/dbraw/zinc/14/69/40/221146940.db2.gz VXFVZGLTUXBAGD-GOSISDBHSA-N 2 1 396.553 1.440 50 0 GDAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000096152036 570215868 /nfs/dbraw/zinc/21/58/68/570215868.db2.gz LCCNAZNHLPTQMR-UHFFFAOYSA-N 2 1 385.516 1.653 50 0 GDAAMP Cc1cc(C)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)c(-n2cccn2)c1 ZINC000020451198 570257405 /nfs/dbraw/zinc/25/74/05/570257405.db2.gz FCMTXBDQEBXMBL-IFMALSPDSA-N 2 1 383.540 1.672 50 0 GDAAMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](O)C2)c(-n2cccn2)c1 ZINC000020451198 570257409 /nfs/dbraw/zinc/25/74/09/570257409.db2.gz FCMTXBDQEBXMBL-IFMALSPDSA-N 2 1 383.540 1.672 50 0 GDAAMP Cc1ncc2c(c1-c1noc(C[C@@H]3C(=O)NCC[N@@H+]3C3CCCC3)n1)CC[NH2+]C2 ZINC000020539150 570266367 /nfs/dbraw/zinc/26/63/67/570266367.db2.gz WZXFJUKCKLJQGB-QGZVFWFLSA-N 2 1 396.495 1.371 50 0 GDAAMP Cc1ncc2c(c1-c1noc(C[C@@H]3C(=O)NCC[N@H+]3C3CCCC3)n1)CC[NH2+]C2 ZINC000020539150 570266368 /nfs/dbraw/zinc/26/63/68/570266368.db2.gz WZXFJUKCKLJQGB-QGZVFWFLSA-N 2 1 396.495 1.371 50 0 GDAAMP [NH3+]CCSc1nn2c(nc3c(c2=O)C[N@@H+](CCc2ccccc2)CC3)s1 ZINC000015414176 570893575 /nfs/dbraw/zinc/89/35/75/570893575.db2.gz KAFRBMOQFBEJOQ-UHFFFAOYSA-N 2 1 387.534 1.803 50 0 GDAAMP C[N@H+](CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000091657316 571023656 /nfs/dbraw/zinc/02/36/56/571023656.db2.gz IYPZMGRRAYGTEJ-RTBURBONSA-N 2 1 377.504 1.810 50 0 GDAAMP C[N@@H+](CC(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000091657316 571023659 /nfs/dbraw/zinc/02/36/59/571023659.db2.gz IYPZMGRRAYGTEJ-RTBURBONSA-N 2 1 377.504 1.810 50 0 GDAAMP CC[NH+]1CCN(C(=O)CCC2CC[NH+](Cc3cc(=O)c(OC)c[nH]3)CC2)CC1 ZINC000095507904 571079995 /nfs/dbraw/zinc/07/99/95/571079995.db2.gz XLRAFYIWAWMEDP-UHFFFAOYSA-N 2 1 390.528 1.540 50 0 GDAAMP C[N@@H+](CCC(N)=O)Cc1ccccc1OC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095531112 571093317 /nfs/dbraw/zinc/09/33/17/571093317.db2.gz ZGYOFQHCZACFMM-OAQYLSRUSA-N 2 1 397.519 1.792 50 0 GDAAMP C[NH+](CCC(N)=O)Cc1ccccc1OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000095531112 571093319 /nfs/dbraw/zinc/09/33/19/571093319.db2.gz ZGYOFQHCZACFMM-OAQYLSRUSA-N 2 1 397.519 1.792 50 0 GDAAMP C[NH+](CCC(N)=O)Cc1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000095531112 571093320 /nfs/dbraw/zinc/09/33/20/571093320.db2.gz ZGYOFQHCZACFMM-OAQYLSRUSA-N 2 1 397.519 1.792 50 0 GDAAMP CNC(=O)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071419551 205282734 /nfs/dbraw/zinc/28/27/34/205282734.db2.gz GQNJXNIOMOSNHE-IBGZPJMESA-N 2 1 386.540 1.268 50 0 GDAAMP CNC(=O)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071419551 205282738 /nfs/dbraw/zinc/28/27/38/205282738.db2.gz GQNJXNIOMOSNHE-IBGZPJMESA-N 2 1 386.540 1.268 50 0 GDAAMP NC(=O)CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071756929 205293604 /nfs/dbraw/zinc/29/36/04/205293604.db2.gz PATMMYLUHJHWSP-IBGZPJMESA-N 2 1 398.551 1.322 50 0 GDAAMP CC(C)([NH3+])C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071767862 205295202 /nfs/dbraw/zinc/29/52/02/205295202.db2.gz RFJPXNCRIVHCCX-KRWDZBQOSA-N 2 1 387.528 1.138 50 0 GDAAMP CN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072167547 205314622 /nfs/dbraw/zinc/31/46/22/205314622.db2.gz GLXBEMBMZLNANJ-INIZCTEOSA-N 2 1 375.904 1.949 50 0 GDAAMP Cn1c(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244712755 206131901 /nfs/dbraw/zinc/13/19/01/206131901.db2.gz KWNBWQZDGOFGIZ-IYBDPMFKSA-N 2 1 378.484 1.337 50 0 GDAAMP Cn1c(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244712755 206131903 /nfs/dbraw/zinc/13/19/03/206131903.db2.gz KWNBWQZDGOFGIZ-IYBDPMFKSA-N 2 1 378.484 1.337 50 0 GDAAMP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3ccc4nonc4c3)C[C@H]2CCO)CC1 ZINC000104545775 570260224 /nfs/dbraw/zinc/26/02/24/570260224.db2.gz OIWDMQGIPRXMTJ-LJQANCHMSA-N 2 1 387.528 1.964 50 0 GDAAMP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3ccc4nonc4c3)C[C@H]2CCO)CC1 ZINC000104545775 570260225 /nfs/dbraw/zinc/26/02/25/570260225.db2.gz OIWDMQGIPRXMTJ-LJQANCHMSA-N 2 1 387.528 1.964 50 0 GDAAMP O[C@H](COc1ccccc1CNCC[NH+]1CCCC1)C[NH+]1CCSCC1 ZINC000023359833 570356891 /nfs/dbraw/zinc/35/68/91/570356891.db2.gz FHUXTPLFSLRESY-IBGZPJMESA-N 2 1 379.570 1.661 50 0 GDAAMP O=C([C@H]1CSC[NH2+]1)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000238014055 570945132 /nfs/dbraw/zinc/94/51/32/570945132.db2.gz RGTMYPWUHDKVPE-IAGOWNOFSA-N 2 1 375.542 1.105 50 0 GDAAMP COc1cccc2ccc(C[N@H+]3C[C@H](CO)[C@H](CN4CC[NH+](C)CC4)C3)nc21 ZINC000092097694 571044826 /nfs/dbraw/zinc/04/48/26/571044826.db2.gz ZNIROQFRSAFTRB-RTBURBONSA-N 2 1 384.524 1.531 50 0 GDAAMP COc1ccc(C[NH2+]CC(N)=O)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000055182997 205144494 /nfs/dbraw/zinc/14/44/94/205144494.db2.gz OVZDPCYENAGOCU-SFHVURJKSA-N 2 1 387.480 1.142 50 0 GDAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCNC(=O)C1 ZINC000071767922 205295366 /nfs/dbraw/zinc/29/53/66/205295366.db2.gz JHUKBBJLYKCENQ-FQEVSTJZSA-N 2 1 398.551 1.364 50 0 GDAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCNC(=O)C1 ZINC000071767922 205295369 /nfs/dbraw/zinc/29/53/69/205295369.db2.gz JHUKBBJLYKCENQ-FQEVSTJZSA-N 2 1 398.551 1.364 50 0 GDAAMP CC[NH+]1CCN(C2(C(=O)NCC[C@@H]3CCCC[NH2+]3)Cc3ccccc3C2)CC1 ZINC000072151221 205311897 /nfs/dbraw/zinc/31/18/97/205311897.db2.gz GIVAMFZXLNLPNM-NRFANRHFSA-N 2 1 384.568 1.810 50 0 GDAAMP CC(C)C[N@H+](C)CCCN1CC2(CCN(c3cc[nH+]c(N)n3)CC2)OC1=O ZINC000077538646 535023077 /nfs/dbraw/zinc/02/30/77/535023077.db2.gz ZJBJNAQXSKBFCW-UHFFFAOYSA-N 2 1 376.505 1.828 50 0 GDAAMP CC(C)C[N@@H+](C)CCCN1CC2(CCN(c3cc[nH+]c(N)n3)CC2)OC1=O ZINC000077538646 535023082 /nfs/dbraw/zinc/02/30/82/535023082.db2.gz ZJBJNAQXSKBFCW-UHFFFAOYSA-N 2 1 376.505 1.828 50 0 GDAAMP CC[NH+]1CCN(C2(C(=O)NCC[C@H]3CCC[N@@H+]3C)Cc3ccccc3C2)CC1 ZINC000020449610 570256340 /nfs/dbraw/zinc/25/63/40/570256340.db2.gz ZPNLWXPBRONZSK-OAQYLSRUSA-N 2 1 384.568 1.762 50 0 GDAAMP CC[NH+]1CCN(C2(C(=O)NCC[C@H]3CCC[N@H+]3C)Cc3ccccc3C2)CC1 ZINC000020449610 570256344 /nfs/dbraw/zinc/25/63/44/570256344.db2.gz ZPNLWXPBRONZSK-OAQYLSRUSA-N 2 1 384.568 1.762 50 0 GDAAMP O=C(C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000012431183 570659554 /nfs/dbraw/zinc/65/95/54/570659554.db2.gz KVDRHLOHXIVFIZ-HXUWFJFHSA-N 2 1 390.572 1.844 50 0 GDAAMP CC[NH+]1CCN(Cc2ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c2)CC1 ZINC000095506164 571078982 /nfs/dbraw/zinc/07/89/82/571078982.db2.gz GCIAOFIAOPSEJD-IBGZPJMESA-N 2 1 379.545 1.913 50 0 GDAAMP CC[NH+]1CCN(C2(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)Cc3ccccc3C2)CC1 ZINC000023372830 207275166 /nfs/dbraw/zinc/27/51/66/207275166.db2.gz DFVOWJDDROIOBT-NRFANRHFSA-N 2 1 382.552 1.468 50 0 GDAAMP CC[NH+]1CCN(C2(C(=O)N3CC[N@H+]4CCC[C@H]4C3)Cc3ccccc3C2)CC1 ZINC000023372830 207275169 /nfs/dbraw/zinc/27/51/69/207275169.db2.gz DFVOWJDDROIOBT-NRFANRHFSA-N 2 1 382.552 1.468 50 0 GDAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCNC(=O)C1 ZINC000071749083 207948662 /nfs/dbraw/zinc/94/86/62/207948662.db2.gz AXWUOWSBYFISQC-LJQANCHMSA-N 2 1 384.524 1.321 50 0 GDAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCNC(=O)C1 ZINC000071749083 207948670 /nfs/dbraw/zinc/94/86/70/207948670.db2.gz AXWUOWSBYFISQC-LJQANCHMSA-N 2 1 384.524 1.321 50 0 GDAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3cnc(N4CCCC4)s3)C[C@@H]2CO)CC1 ZINC000091616593 208127070 /nfs/dbraw/zinc/12/70/70/208127070.db2.gz VRVDOTWAEUODPK-QZTJIDSGSA-N 2 1 393.601 1.421 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3cnc(N4CCCC4)s3)C[C@@H]2CO)CC1 ZINC000091616593 208127074 /nfs/dbraw/zinc/12/70/74/208127074.db2.gz VRVDOTWAEUODPK-QZTJIDSGSA-N 2 1 393.601 1.421 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3cnc(N4CCCC4)s3)C[C@@H]2CO)CC1 ZINC000091616593 208127080 /nfs/dbraw/zinc/12/70/80/208127080.db2.gz VRVDOTWAEUODPK-QZTJIDSGSA-N 2 1 393.601 1.421 50 0 GDAAMP CCc1ncc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2ncc[nH]2)C[C@@H]3CO)cn1 ZINC000097657074 208359540 /nfs/dbraw/zinc/35/95/40/208359540.db2.gz OQNZOLHSQXUPDS-GOSISDBHSA-N 2 1 384.528 1.859 50 0 GDAAMP CCc1ncc(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2ncc[nH]2)C[C@@H]3CO)cn1 ZINC000097657074 208359547 /nfs/dbraw/zinc/35/95/47/208359547.db2.gz OQNZOLHSQXUPDS-GOSISDBHSA-N 2 1 384.528 1.859 50 0 GDAAMP CNc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)cc(C)[nH+]1 ZINC000071755416 136166228 /nfs/dbraw/zinc/16/62/28/136166228.db2.gz YPTRMQLVYWKGDE-INIZCTEOSA-N 2 1 390.532 1.270 50 0 GDAAMP Cc1c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237394619 570427258 /nfs/dbraw/zinc/42/72/58/570427258.db2.gz KMHVXRRHVNZVPG-ZIAGYGMSSA-N 2 1 378.521 1.129 50 0 GDAAMP O=C1CCC(c2ccccc2)=NN1CC[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063884078 570752784 /nfs/dbraw/zinc/75/27/84/570752784.db2.gz HYBIUDUQJCYSQM-IFMALSPDSA-N 2 1 384.524 1.982 50 0 GDAAMP O=C1CCC(c2ccccc2)=NN1CC[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063884078 570752785 /nfs/dbraw/zinc/75/27/85/570752785.db2.gz HYBIUDUQJCYSQM-IFMALSPDSA-N 2 1 384.524 1.982 50 0 GDAAMP CN(CCO)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071552265 570840279 /nfs/dbraw/zinc/84/02/79/570840279.db2.gz KUSLWECFDCDGTC-FQEVSTJZSA-N 2 1 385.552 1.781 50 0 GDAAMP C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071762698 570850202 /nfs/dbraw/zinc/85/02/02/570850202.db2.gz HLNMZRFUCHNTFN-HXUWFJFHSA-N 2 1 399.583 1.968 50 0 GDAAMP CC(C)([NH3+])C(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072121796 570867070 /nfs/dbraw/zinc/86/70/70/570867070.db2.gz BVEVDEMGBIDGBC-KRWDZBQOSA-N 2 1 388.512 1.261 50 0 GDAAMP [NH3+]C1(C(=O)N2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1 ZINC000072157333 570874933 /nfs/dbraw/zinc/87/49/33/570874933.db2.gz UFEULIZMBWTRHY-KRWDZBQOSA-N 2 1 386.496 1.015 50 0 GDAAMP CC[N@@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(OC)c1)C1CC1 ZINC000095523384 571088772 /nfs/dbraw/zinc/08/87/72/571088772.db2.gz RUCOPOVWGCGLSR-IBGZPJMESA-N 2 1 378.513 1.876 50 0 GDAAMP COCC[N@H+]1CCC[C@H](CNC(=O)N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000426500046 231230521 /nfs/dbraw/zinc/23/05/21/231230521.db2.gz DUOZVGAEBUIBIS-GOSISDBHSA-N 2 1 375.517 1.580 50 0 GDAAMP COCC[N@@H+](Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1)C(C)C ZINC000020910059 207220067 /nfs/dbraw/zinc/22/00/67/207220067.db2.gz CEXHGKOAPDEXLL-FQEVSTJZSA-N 2 1 379.545 1.531 50 0 GDAAMP COCC[N@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C)CC2)cc1)C(C)C ZINC000020910059 207220081 /nfs/dbraw/zinc/22/00/81/207220081.db2.gz CEXHGKOAPDEXLL-FQEVSTJZSA-N 2 1 379.545 1.531 50 0 GDAAMP COCC[N@@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C)CC2)cc1)C(C)C ZINC000020910059 207220085 /nfs/dbraw/zinc/22/00/85/207220085.db2.gz CEXHGKOAPDEXLL-FQEVSTJZSA-N 2 1 379.545 1.531 50 0 GDAAMP CCCCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](Cc2ccncc2)C1 ZINC000023354251 207275297 /nfs/dbraw/zinc/27/52/97/207275297.db2.gz XLBNNVFWXDSVMB-NHCUHLMSSA-N 2 1 387.572 1.683 50 0 GDAAMP Cc1[nH+]cn(CC(=O)N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)c1C ZINC000091907278 208140967 /nfs/dbraw/zinc/14/09/67/208140967.db2.gz GLZFXFQNBFFMHW-UHFFFAOYSA-N 2 1 389.544 1.683 50 0 GDAAMP CC[N@@H+](Cc1cc(OC)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1)C1CC1 ZINC000095508153 208211687 /nfs/dbraw/zinc/21/16/87/208211687.db2.gz JQKPCRBZEOCMOU-IBGZPJMESA-N 2 1 378.513 1.876 50 0 GDAAMP COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3nccn3C(C)C)CC2)C1 ZINC000067851220 570794086 /nfs/dbraw/zinc/79/40/86/570794086.db2.gz DNCNJWOTFVKKTN-SFHVURJKSA-N 2 1 391.560 1.903 50 0 GDAAMP NC(=O)CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071575463 570840952 /nfs/dbraw/zinc/84/09/52/570840952.db2.gz BLSKCHBZUAJFLU-IBGZPJMESA-N 2 1 386.540 1.397 50 0 GDAAMP NC(=O)CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071575463 570840953 /nfs/dbraw/zinc/84/09/53/570840953.db2.gz BLSKCHBZUAJFLU-IBGZPJMESA-N 2 1 386.540 1.397 50 0 GDAAMP C[N@@H+](CCc1ccccc1)C1(C(=O)N2CCO[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000072146224 570871570 /nfs/dbraw/zinc/87/15/70/570871570.db2.gz WAPMMXPFUWYKFT-QFIPXVFZSA-N 2 1 393.531 1.885 50 0 GDAAMP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000072163828 570875517 /nfs/dbraw/zinc/87/55/17/570875517.db2.gz JKSPOKJMCJWOSS-HXUWFJFHSA-N 2 1 399.583 1.968 50 0 GDAAMP CN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072167548 570876821 /nfs/dbraw/zinc/87/68/21/570876821.db2.gz GLXBEMBMZLNANJ-MRXNPFEDSA-N 2 1 375.904 1.949 50 0 GDAAMP Cc1nn(C(C)C)c(C)c1C[N@H+]1C[C@H](CO)[C@H](CN2CCC[NH+](C)CC2)C1 ZINC000091643579 208130213 /nfs/dbraw/zinc/13/02/13/208130213.db2.gz DISKYTNBYLNPEL-WOJBJXKFSA-N 2 1 377.577 1.759 50 0 GDAAMP Cc1nn(C(C)C)c(C)c1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@H+](C)CC2)C1 ZINC000091643579 208130214 /nfs/dbraw/zinc/13/02/14/208130214.db2.gz DISKYTNBYLNPEL-WOJBJXKFSA-N 2 1 377.577 1.759 50 0 GDAAMP Cc1nn(C(C)C)c(C)c1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091643579 208130215 /nfs/dbraw/zinc/13/02/15/208130215.db2.gz DISKYTNBYLNPEL-WOJBJXKFSA-N 2 1 377.577 1.759 50 0 GDAAMP CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)[C@@H]([NH3+])Cc1c[nH]cn1 ZINC000095499025 208198509 /nfs/dbraw/zinc/19/85/09/208198509.db2.gz MWEYEDJSAOMHFW-FQEVSTJZSA-N 2 1 387.503 1.832 50 0 GDAAMP C[NH+](C)CCn1ccnc1C1CCN(c2nc(N3CC[C@H](O)C3)cc[nH+]2)CC1 ZINC000095498993 136179608 /nfs/dbraw/zinc/17/96/08/136179608.db2.gz CSHXMAWXWUSRJU-KRWDZBQOSA-N 2 1 385.516 1.190 50 0 GDAAMP C[N@H+]1CCCN(c2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)CC1 ZINC000067790182 570791076 /nfs/dbraw/zinc/79/10/76/570791076.db2.gz DIEHSFDZIRNOFD-UHFFFAOYSA-N 2 1 387.528 1.160 50 0 GDAAMP CNC(=O)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071405706 570832764 /nfs/dbraw/zinc/83/27/64/570832764.db2.gz VXXRPNQHWVYFNI-IBGZPJMESA-N 2 1 398.551 1.192 50 0 GDAAMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071746829 570845183 /nfs/dbraw/zinc/84/51/83/570845183.db2.gz SGCSTDZKGFXTRI-SFHVURJKSA-N 2 1 387.528 1.421 50 0 GDAAMP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000071746829 570845184 /nfs/dbraw/zinc/84/51/84/570845184.db2.gz SGCSTDZKGFXTRI-SFHVURJKSA-N 2 1 387.528 1.421 50 0 GDAAMP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCNC(=O)C1 ZINC000071749082 570846388 /nfs/dbraw/zinc/84/63/88/570846388.db2.gz AXWUOWSBYFISQC-IBGZPJMESA-N 2 1 384.524 1.321 50 0 GDAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCNC(=O)C1 ZINC000071749082 570846391 /nfs/dbraw/zinc/84/63/91/570846391.db2.gz AXWUOWSBYFISQC-IBGZPJMESA-N 2 1 384.524 1.321 50 0 GDAAMP C[N@@H+](CCc1ccccc1)C1(C(=O)N2CCO[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000072146223 570871628 /nfs/dbraw/zinc/87/16/28/570871628.db2.gz WAPMMXPFUWYKFT-JOCHJYFZSA-N 2 1 393.531 1.885 50 0 GDAAMP CCc1[nH+]ccn1CCC(=O)N1C[C@H](CO)[C@H](C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091574291 208124270 /nfs/dbraw/zinc/12/42/70/208124270.db2.gz XAYWEAYQPATHND-XMTFNYHQSA-N 2 1 378.517 1.012 50 0 GDAAMP CCc1[nH+]ccn1CCC(=O)N1C[C@H](CO)[C@H](C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091574291 208124277 /nfs/dbraw/zinc/12/42/77/208124277.db2.gz XAYWEAYQPATHND-XMTFNYHQSA-N 2 1 378.517 1.012 50 0 GDAAMP O=C(CC[C@H]1CCC[N@@H+](C(CO)CO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095501584 208200084 /nfs/dbraw/zinc/20/00/84/208200084.db2.gz CAFMESOPZJFNDN-HXUWFJFHSA-N 2 1 389.540 1.176 50 0 GDAAMP O=C(CC[C@H]1CCC[N@H+](C(CO)CO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095501584 208200095 /nfs/dbraw/zinc/20/00/95/208200095.db2.gz CAFMESOPZJFNDN-HXUWFJFHSA-N 2 1 389.540 1.176 50 0 GDAAMP Cn1c(Cn2ccnc2)nnc1[C@H]1CCC[N@@H+](Cc2ccc(CC[NH3+])cc2)C1 ZINC000095522004 208219825 /nfs/dbraw/zinc/21/98/25/208219825.db2.gz QIHJUAIATSDMEV-IBGZPJMESA-N 2 1 379.512 1.941 50 0 GDAAMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C[NH2+]C[C@@H]2CCCO2)C[C@@H](C)O1 ZINC000237409523 570350550 /nfs/dbraw/zinc/35/05/50/570350550.db2.gz OSYURPPIDPENJC-HLIPFELVSA-N 2 1 375.513 1.681 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(c4nccs4)CC3)C2)CC1 ZINC000071479376 570837847 /nfs/dbraw/zinc/83/78/47/570837847.db2.gz JYJNOGRMWLLNAO-INIZCTEOSA-N 2 1 377.558 1.598 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(c4nccs4)CC3)C2)CC1 ZINC000071479376 570837850 /nfs/dbraw/zinc/83/78/50/570837850.db2.gz JYJNOGRMWLLNAO-INIZCTEOSA-N 2 1 377.558 1.598 50 0 GDAAMP [NH3+]CCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071747888 570845896 /nfs/dbraw/zinc/84/58/96/570845896.db2.gz YCXYKWQYZUFAEF-LJQANCHMSA-N 2 1 386.540 1.397 50 0 GDAAMP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072134460 570869532 /nfs/dbraw/zinc/86/95/32/570869532.db2.gz KSVJVCLXVNYAJU-OAQYLSRUSA-N 3 1 384.568 1.885 50 0 GDAAMP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000246681417 231041426 /nfs/dbraw/zinc/04/14/26/231041426.db2.gz ITDKYIUOQWQPNN-FGTMMUONSA-N 2 1 392.519 1.250 50 0 GDAAMP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000246681417 231041429 /nfs/dbraw/zinc/04/14/29/231041429.db2.gz ITDKYIUOQWQPNN-FGTMMUONSA-N 2 1 392.519 1.250 50 0 GDAAMP O=C(NCC[N@H+]1CCC[C@H](CO)C1)N1CCC[NH+](Cc2ccccn2)CC1 ZINC000426392813 231213953 /nfs/dbraw/zinc/21/39/53/231213953.db2.gz MIVDOOGOYPOBGV-SFHVURJKSA-N 2 1 375.517 1.003 50 0 GDAAMP O=C(NCC[N@@H+]1CCC[C@H](CO)C1)N1CCC[NH+](Cc2ccccn2)CC1 ZINC000426392813 231213956 /nfs/dbraw/zinc/21/39/56/231213956.db2.gz MIVDOOGOYPOBGV-SFHVURJKSA-N 2 1 375.517 1.003 50 0 GDAAMP O=C(NCC[NH+]1CCC[C@H](CO)C1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000426392813 231213958 /nfs/dbraw/zinc/21/39/58/231213958.db2.gz MIVDOOGOYPOBGV-SFHVURJKSA-N 2 1 375.517 1.003 50 0 GDAAMP O=C(NCC[NH+]1CCC[C@H](CO)C1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000426392813 231213962 /nfs/dbraw/zinc/21/39/62/231213962.db2.gz MIVDOOGOYPOBGV-SFHVURJKSA-N 2 1 375.517 1.003 50 0 GDAAMP COc1cc2c(cc1CNC(=O)[C@H]1CC3(C[N@H+]1C)CC[NH2+]CC3)OCCO2 ZINC000072422834 208021823 /nfs/dbraw/zinc/02/18/23/208021823.db2.gz RYMCFKYRPZDKGG-OAHLLOKOSA-N 2 1 375.469 1.157 50 0 GDAAMP C[C@@H](C(N)=O)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000095519444 208216671 /nfs/dbraw/zinc/21/66/71/208216671.db2.gz JDJOSJCMWBKYSI-ZDUSSCGKSA-N 2 1 396.919 1.348 50 0 GDAAMP CNC(=O)C[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095518121 208217228 /nfs/dbraw/zinc/21/72/28/208217228.db2.gz UYNKMPMEDCCSQK-OAQYLSRUSA-N 2 1 397.519 1.662 50 0 GDAAMP CNC(=O)C[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095518121 208217235 /nfs/dbraw/zinc/21/72/35/208217235.db2.gz UYNKMPMEDCCSQK-OAQYLSRUSA-N 2 1 397.519 1.662 50 0 GDAAMP CNC(=O)C[NH+](C)Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000095518121 208217241 /nfs/dbraw/zinc/21/72/41/208217241.db2.gz UYNKMPMEDCCSQK-OAQYLSRUSA-N 2 1 397.519 1.662 50 0 GDAAMP CNC(=O)C[NH+](C)Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000095518121 208217247 /nfs/dbraw/zinc/21/72/47/208217247.db2.gz UYNKMPMEDCCSQK-OAQYLSRUSA-N 2 1 397.519 1.662 50 0 GDAAMP CC1(C)C[N@H+](Cc2cccc(OC[C@@H](O)C[NH+]3CCC(O)CC3)c2)CCO1 ZINC000095529771 208229208 /nfs/dbraw/zinc/22/92/08/208229208.db2.gz FXKDIDJIJPAFFB-IBGZPJMESA-N 2 1 378.513 1.494 50 0 GDAAMP CC1(C)C[N@@H+](Cc2cccc(OC[C@@H](O)C[NH+]3CCC(O)CC3)c2)CCO1 ZINC000095529771 208229214 /nfs/dbraw/zinc/22/92/14/208229214.db2.gz FXKDIDJIJPAFFB-IBGZPJMESA-N 2 1 378.513 1.494 50 0 GDAAMP CC[N@H+]1CCC[C@H]1CNc1c(=O)c(=O)c1N1CCN(Cc2ccccc2)CC1 ZINC000101701451 208396583 /nfs/dbraw/zinc/39/65/83/208396583.db2.gz AWOXHWUYHSEPFE-SFHVURJKSA-N 2 1 382.508 1.501 50 0 GDAAMP CCCn1ccnc1CN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CCOC)CC2 ZINC000107408409 570261283 /nfs/dbraw/zinc/26/12/83/570261283.db2.gz LGPKBKVWQWDMBE-HXUWFJFHSA-N 2 1 377.533 1.438 50 0 GDAAMP O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)N1CCC[NH+](C2CCCCC2)CC1 ZINC000012744308 570707627 /nfs/dbraw/zinc/70/76/27/570707627.db2.gz QXHQYTORRFLHQR-HXUWFJFHSA-N 2 1 390.572 1.987 50 0 GDAAMP O=C(C[C@@H]1C(=O)NCC[NH+]1C1CCCC1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000012744308 570707628 /nfs/dbraw/zinc/70/76/28/570707628.db2.gz QXHQYTORRFLHQR-HXUWFJFHSA-N 2 1 390.572 1.987 50 0 GDAAMP O=C(C[C@@H]1C(=O)NCC[NH+]1C1CCCC1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000012744308 570707631 /nfs/dbraw/zinc/70/76/31/570707631.db2.gz QXHQYTORRFLHQR-HXUWFJFHSA-N 2 1 390.572 1.987 50 0 GDAAMP [NH3+]CCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071747889 570845847 /nfs/dbraw/zinc/84/58/47/570845847.db2.gz YCXYKWQYZUFAEF-IBGZPJMESA-N 2 1 386.540 1.397 50 0 GDAAMP O=C([C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071767858 570852018 /nfs/dbraw/zinc/85/20/18/570852018.db2.gz DFCZKTWSACGNEX-FQEVSTJZSA-N 2 1 385.556 1.580 50 0 GDAAMP O=C([C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071767859 570852045 /nfs/dbraw/zinc/85/20/45/570852045.db2.gz DFCZKTWSACGNEX-HXUWFJFHSA-N 2 1 385.556 1.580 50 0 GDAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCOC(C)C)c2)CC1 ZINC000019226986 207108681 /nfs/dbraw/zinc/10/86/81/207108681.db2.gz RJEWYEFUFNNPMS-FQEVSTJZSA-N 2 1 379.545 1.578 50 0 GDAAMP COc1ccc(C[NH2+]CCCSC)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000022926041 207266120 /nfs/dbraw/zinc/26/61/20/207266120.db2.gz MQNKUHVHEAGLNN-SFHVURJKSA-N 2 1 397.585 1.525 50 0 GDAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCCNC(=O)c1ccccc1Cl)CC[NH2+]CC2 ZINC000072462623 208026620 /nfs/dbraw/zinc/02/66/20/208026620.db2.gz LWYMPDQBBLHXOR-INIZCTEOSA-N 2 1 378.904 1.260 50 0 GDAAMP C[N@H+]1CCCN(C[C@H]2C[C@H](CO)C[NH+](Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000091644849 208128237 /nfs/dbraw/zinc/12/82/37/208128237.db2.gz LGCQUNDRLPPDBJ-MOPGFXCFSA-N 2 1 375.513 1.483 50 0 GDAAMP C[NH+]1CCCN(C[C@H]2C[C@H](CO)C[N@H+](Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000091644849 208128243 /nfs/dbraw/zinc/12/82/43/208128243.db2.gz LGCQUNDRLPPDBJ-MOPGFXCFSA-N 2 1 375.513 1.483 50 0 GDAAMP C[NH+]1CCCN(C[C@H]2C[C@H](CO)C[N@@H+](Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000091644849 208128248 /nfs/dbraw/zinc/12/82/48/208128248.db2.gz LGCQUNDRLPPDBJ-MOPGFXCFSA-N 2 1 375.513 1.483 50 0 GDAAMP COc1cccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c1OC ZINC000091713045 208134240 /nfs/dbraw/zinc/13/42/40/208134240.db2.gz FZMXMNZQPXXWDZ-RTBURBONSA-N 2 1 377.529 1.382 50 0 GDAAMP COc1cccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c1OC ZINC000091713045 208134246 /nfs/dbraw/zinc/13/42/46/208134246.db2.gz FZMXMNZQPXXWDZ-RTBURBONSA-N 2 1 377.529 1.382 50 0 GDAAMP COc1cccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c1OC ZINC000091713045 208134251 /nfs/dbraw/zinc/13/42/51/208134251.db2.gz FZMXMNZQPXXWDZ-RTBURBONSA-N 2 1 377.529 1.382 50 0 GDAAMP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000091326997 208114141 /nfs/dbraw/zinc/11/41/41/208114141.db2.gz DNCSEAZLONWGEU-IBGZPJMESA-N 2 1 385.516 1.331 50 0 GDAAMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091326997 208114149 /nfs/dbraw/zinc/11/41/49/208114149.db2.gz DNCSEAZLONWGEU-IBGZPJMESA-N 2 1 385.516 1.331 50 0 GDAAMP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000091326997 208114157 /nfs/dbraw/zinc/11/41/57/208114157.db2.gz DNCSEAZLONWGEU-IBGZPJMESA-N 2 1 385.516 1.331 50 0 GDAAMP Cc1ncc(CO)c(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)c1O ZINC000091998152 208147388 /nfs/dbraw/zinc/14/73/88/208147388.db2.gz CFRCNXREBRVDDD-OAQYLSRUSA-N 2 1 390.528 1.354 50 0 GDAAMP COc1ccc(C[N@@H+](C)CC2CCC2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095516799 208216004 /nfs/dbraw/zinc/21/60/04/208216004.db2.gz HEMZRMJWKPABDE-FQEVSTJZSA-N 2 1 391.556 1.914 50 0 GDAAMP COc1ccc(C[N@H+](C)CC2CCC2)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095516799 208216021 /nfs/dbraw/zinc/21/60/21/208216021.db2.gz HEMZRMJWKPABDE-FQEVSTJZSA-N 2 1 391.556 1.914 50 0 GDAAMP COc1ccc(C[N@@H+](C)CC2CCC2)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000095516799 208216024 /nfs/dbraw/zinc/21/60/24/208216024.db2.gz HEMZRMJWKPABDE-FQEVSTJZSA-N 2 1 391.556 1.914 50 0 GDAAMP Cc1ccccc1N1CCC([N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)CC1 ZINC000095356728 136178068 /nfs/dbraw/zinc/17/80/68/136178068.db2.gz POHGUURZCPDWFV-WOJBJXKFSA-N 2 1 387.568 1.961 50 0 GDAAMP Cc1ccccc1N1CCC([N@H+]2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)CC1 ZINC000095356728 136178069 /nfs/dbraw/zinc/17/80/69/136178069.db2.gz POHGUURZCPDWFV-WOJBJXKFSA-N 2 1 387.568 1.961 50 0 GDAAMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C[NH2+]C[C@H]2CCCO2)C[C@@H](C)O1 ZINC000237409553 570427070 /nfs/dbraw/zinc/42/70/70/570427070.db2.gz OSYURPPIDPENJC-MBOZVWFJSA-N 2 1 375.513 1.681 50 0 GDAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+][C@@H]4CCOC4)CC3)cc2)CC1 ZINC000012157650 570618640 /nfs/dbraw/zinc/61/86/40/570618640.db2.gz AEUHLSUCDFHQPC-HXUWFJFHSA-N 2 1 386.540 1.812 50 0 GDAAMP Cc1nc(CC[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)n[nH]1 ZINC000012313795 570640269 /nfs/dbraw/zinc/64/02/69/570640269.db2.gz BOSFATXOCHTDSH-KRWDZBQOSA-N 2 1 391.541 1.234 50 0 GDAAMP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]Cc2nccn2C)cc1OC ZINC000012444843 570665433 /nfs/dbraw/zinc/66/54/33/570665433.db2.gz PCMMURMGLIFWGL-KRWDZBQOSA-N 2 1 376.501 1.800 50 0 GDAAMP Nc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cc[nH+]1 ZINC000071751235 570846962 /nfs/dbraw/zinc/84/69/62/570846962.db2.gz YNCXVNCXPUIVLR-INIZCTEOSA-N 2 1 395.511 1.451 50 0 GDAAMP Nc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)cc[nH+]1 ZINC000071751235 570846965 /nfs/dbraw/zinc/84/69/65/570846965.db2.gz YNCXVNCXPUIVLR-INIZCTEOSA-N 2 1 395.511 1.451 50 0 GDAAMP CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071763241 570850444 /nfs/dbraw/zinc/85/04/44/570850444.db2.gz SKAGYQCWLTZDMN-FQEVSTJZSA-N 2 1 387.572 1.778 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000071774488 570852497 /nfs/dbraw/zinc/85/24/97/570852497.db2.gz SNCSVKWSVBWIRE-SFHVURJKSA-N 2 1 399.539 1.172 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000071774488 570852499 /nfs/dbraw/zinc/85/24/99/570852499.db2.gz SNCSVKWSVBWIRE-SFHVURJKSA-N 2 1 399.539 1.172 50 0 GDAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CC(C)(C)OC)c2)CC1 ZINC000023358419 207275121 /nfs/dbraw/zinc/27/51/21/207275121.db2.gz XNUGHTUQDQOGIQ-LJQANCHMSA-N 2 1 379.545 1.578 50 0 GDAAMP CNC(=O)C[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000096151921 208276283 /nfs/dbraw/zinc/27/62/83/208276283.db2.gz RHEPRTILQQQFLW-IBGZPJMESA-N 2 1 377.529 1.869 50 0 GDAAMP CNC(=O)C[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000096151921 208276289 /nfs/dbraw/zinc/27/62/89/208276289.db2.gz RHEPRTILQQQFLW-IBGZPJMESA-N 2 1 377.529 1.869 50 0 GDAAMP CNC(=O)C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000096151921 208276295 /nfs/dbraw/zinc/27/62/95/208276295.db2.gz RHEPRTILQQQFLW-IBGZPJMESA-N 2 1 377.529 1.869 50 0 GDAAMP CNC(=O)C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000096151921 208276298 /nfs/dbraw/zinc/27/62/98/208276298.db2.gz RHEPRTILQQQFLW-IBGZPJMESA-N 2 1 377.529 1.869 50 0 GDAAMP CCn1c(CN2CC[NH+](Cc3ccccc3CO)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244734424 209024693 /nfs/dbraw/zinc/02/46/93/209024693.db2.gz NFEMKSBUHHLHPO-KDURUIRLSA-N 2 1 384.528 1.313 50 0 GDAAMP CCc1cc(N2CCC([NH+]3CCSCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000095511032 136180616 /nfs/dbraw/zinc/18/06/16/136180616.db2.gz WGRRPCFJRXFACV-UHFFFAOYSA-N 2 1 377.558 1.893 50 0 GDAAMP OC[C@@H]1C[N@H+](C2CCOCC2)CCC12CC[NH+](CCCn1cccn1)CC2 ZINC000097553323 570246534 /nfs/dbraw/zinc/24/65/34/570246534.db2.gz SNWFUDQCAMQUEB-IBGZPJMESA-N 2 1 376.545 1.849 50 0 GDAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1 ZINC000045966782 570649904 /nfs/dbraw/zinc/64/99/04/570649904.db2.gz BBDMAGORBOWSMD-LJQANCHMSA-N 2 1 390.503 1.574 50 0 GDAAMP CN(CCO)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071552263 570840202 /nfs/dbraw/zinc/84/02/02/570840202.db2.gz KUSLWECFDCDGTC-HXUWFJFHSA-N 2 1 385.552 1.781 50 0 GDAAMP CNC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071746110 570845254 /nfs/dbraw/zinc/84/52/54/570845254.db2.gz PDVLGVTWWXKKFD-GOSISDBHSA-N 2 1 387.528 1.010 50 0 GDAAMP CNC(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071746110 570845256 /nfs/dbraw/zinc/84/52/56/570845256.db2.gz PDVLGVTWWXKKFD-GOSISDBHSA-N 2 1 387.528 1.010 50 0 GDAAMP NC(=O)C1CC[NH+](CCCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000534631705 570910006 /nfs/dbraw/zinc/91/00/06/570910006.db2.gz CYTRULZASMJYNS-UHFFFAOYSA-N 2 1 387.528 1.101 50 0 GDAAMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000045789857 570996732 /nfs/dbraw/zinc/99/67/32/570996732.db2.gz OTWJMVUFSUDAKQ-UHFFFAOYSA-N 2 1 389.544 1.490 50 0 GDAAMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000045789857 570996735 /nfs/dbraw/zinc/99/67/35/570996735.db2.gz OTWJMVUFSUDAKQ-UHFFFAOYSA-N 2 1 389.544 1.490 50 0 GDAAMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000045789857 570996739 /nfs/dbraw/zinc/99/67/39/570996739.db2.gz OTWJMVUFSUDAKQ-UHFFFAOYSA-N 2 1 389.544 1.490 50 0 GDAAMP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1C ZINC000246681430 231041554 /nfs/dbraw/zinc/04/15/54/231041554.db2.gz ITDKYIUOQWQPNN-SQNIBIBYSA-N 2 1 392.519 1.250 50 0 GDAAMP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1C ZINC000246681430 231041556 /nfs/dbraw/zinc/04/15/56/231041556.db2.gz ITDKYIUOQWQPNN-SQNIBIBYSA-N 2 1 392.519 1.250 50 0 GDAAMP O=C(NCC[N@H+]1CCC[C@@H](CO)C1)N1CCC[NH+](Cc2ccccn2)CC1 ZINC000426392812 231213745 /nfs/dbraw/zinc/21/37/45/231213745.db2.gz MIVDOOGOYPOBGV-GOSISDBHSA-N 2 1 375.517 1.003 50 0 GDAAMP O=C(NCC[N@@H+]1CCC[C@@H](CO)C1)N1CCC[NH+](Cc2ccccn2)CC1 ZINC000426392812 231213748 /nfs/dbraw/zinc/21/37/48/231213748.db2.gz MIVDOOGOYPOBGV-GOSISDBHSA-N 2 1 375.517 1.003 50 0 GDAAMP O=C(NCC[NH+]1CCC[C@@H](CO)C1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000426392812 231213751 /nfs/dbraw/zinc/21/37/51/231213751.db2.gz MIVDOOGOYPOBGV-GOSISDBHSA-N 2 1 375.517 1.003 50 0 GDAAMP O=C(NCC[NH+]1CCC[C@@H](CO)C1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000426392812 231213754 /nfs/dbraw/zinc/21/37/54/231213754.db2.gz MIVDOOGOYPOBGV-GOSISDBHSA-N 2 1 375.517 1.003 50 0 GDAAMP COc1ccc(C[NH2+]C2CCCC2)c(OC[C@@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000019745104 207158233 /nfs/dbraw/zinc/15/82/33/207158233.db2.gz QWNPSKGUWQBZPY-IBGZPJMESA-N 2 1 377.529 1.715 50 0 GDAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCc1ccc(C(=O)N3CCCC3)cc1)CC[NH2+]CC2 ZINC000072425146 208022257 /nfs/dbraw/zinc/02/22/57/208022257.db2.gz QSEOYUOADNKBPT-IBGZPJMESA-N 2 1 384.524 1.613 50 0 GDAAMP Cc1[nH+]ccn1[C@H](C)C(=O)N1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000091724873 208136280 /nfs/dbraw/zinc/13/62/80/208136280.db2.gz YTJJGTJXRDQWHA-MRXNPFEDSA-N 2 1 375.517 1.545 50 0 GDAAMP Cc1[nH+]ccn1CCN1C(=O)N(CCc2ccccc2)C2(CC[NH2+]CC2)C1=O ZINC000095382860 208173985 /nfs/dbraw/zinc/17/39/85/208173985.db2.gz GYLYUSHWERAOGP-UHFFFAOYSA-N 2 1 381.480 1.821 50 0 GDAAMP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)CC2CC2)c1 ZINC000095498126 208199221 /nfs/dbraw/zinc/19/92/21/208199221.db2.gz OSSXXONODXSKPJ-LJQANCHMSA-N 2 1 378.513 1.733 50 0 GDAAMP C[NH2+]CC(=O)N1CCC(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095513358 208215258 /nfs/dbraw/zinc/21/52/58/208215258.db2.gz ZDTKFQVLKXDOAY-FQEVSTJZSA-N 2 1 386.540 1.615 50 0 GDAAMP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)CC(C)C)c1 ZINC000095518507 208217159 /nfs/dbraw/zinc/21/71/59/208217159.db2.gz UVQIUFMTSKWVDT-IBGZPJMESA-N 2 1 380.529 1.979 50 0 GDAAMP CN1CCC([N@@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@H]2CCO)CC1 ZINC000104450581 570258431 /nfs/dbraw/zinc/25/84/31/570258431.db2.gz WEKYGSJWRNLQAK-OAQYLSRUSA-N 2 1 383.540 1.835 50 0 GDAAMP CN1CCC([N@H+]2CCN(Cc3cccn3-c3ccccn3)C[C@H]2CCO)CC1 ZINC000104450581 570258433 /nfs/dbraw/zinc/25/84/33/570258433.db2.gz WEKYGSJWRNLQAK-OAQYLSRUSA-N 2 1 383.540 1.835 50 0 GDAAMP Cc1c(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237775009 570396376 /nfs/dbraw/zinc/39/63/76/570396376.db2.gz YXCCQXJWCUUMJY-RVKKMQEKSA-N 2 1 390.532 1.225 50 0 GDAAMP Cc1c(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237775009 570396379 /nfs/dbraw/zinc/39/63/79/570396379.db2.gz YXCCQXJWCUUMJY-RVKKMQEKSA-N 2 1 390.532 1.225 50 0 GDAAMP CC(C)([NH3+])C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071745557 570845019 /nfs/dbraw/zinc/84/50/19/570845019.db2.gz ZOSIXEOVPBUOPO-MRXNPFEDSA-N 2 1 387.528 1.138 50 0 GDAAMP [NH3+]C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071750396 570846782 /nfs/dbraw/zinc/84/67/82/570846782.db2.gz NTCSUCMGXAUHDD-LJQANCHMSA-N 2 1 385.556 1.708 50 0 GDAAMP CC[NH+]1CCN(C2(C(=O)NCC[C@@H]3CCC[N@@H+]3C)Cc3ccccc3C2)CC1 ZINC000020449608 207193022 /nfs/dbraw/zinc/19/30/22/207193022.db2.gz ZPNLWXPBRONZSK-NRFANRHFSA-N 2 1 384.568 1.762 50 0 GDAAMP CC[NH+]1CCN(C2(C(=O)NCC[C@@H]3CCC[N@H+]3C)Cc3ccccc3C2)CC1 ZINC000020449608 207193024 /nfs/dbraw/zinc/19/30/24/207193024.db2.gz ZPNLWXPBRONZSK-NRFANRHFSA-N 2 1 384.568 1.762 50 0 GDAAMP Cc1[nH+]ccn1CCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000023337741 207275220 /nfs/dbraw/zinc/27/52/20/207275220.db2.gz RZVCZJVLNUAFON-GOSISDBHSA-N 2 1 375.517 1.469 50 0 GDAAMP Cc1[nH+]ccn1CCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000023337741 207275223 /nfs/dbraw/zinc/27/52/23/207275223.db2.gz RZVCZJVLNUAFON-GOSISDBHSA-N 2 1 375.517 1.469 50 0 GDAAMP CC(C)(CNC(=O)CCc1cc2n(n1)CC[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000072408269 208016276 /nfs/dbraw/zinc/01/62/76/208016276.db2.gz YXGMWHQXLDNQAV-UHFFFAOYSA-N 2 1 381.524 1.872 50 0 GDAAMP COCC[N@@H+](C)C[C@@H]1CN(c2cc(C)[nH+]c3cc4c(cc32)OCO4)C[C@@H]1CO ZINC000091350565 208117787 /nfs/dbraw/zinc/11/77/87/208117787.db2.gz OLENMDQOJGDGHE-HZPDHXFCSA-N 2 1 387.480 1.895 50 0 GDAAMP COc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c(OC)c1C ZINC000095366898 208162870 /nfs/dbraw/zinc/16/28/70/208162870.db2.gz DSJPFDYBYOXOAE-RTBURBONSA-N 2 1 377.529 1.300 50 0 GDAAMP C[N@@H+](CCC(N)=O)Cc1ccccc1OC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095531113 208231284 /nfs/dbraw/zinc/23/12/84/208231284.db2.gz ZGYOFQHCZACFMM-NRFANRHFSA-N 2 1 397.519 1.792 50 0 GDAAMP C[NH+](CCC(N)=O)Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000095531113 208231290 /nfs/dbraw/zinc/23/12/90/208231290.db2.gz ZGYOFQHCZACFMM-NRFANRHFSA-N 2 1 397.519 1.792 50 0 GDAAMP C[NH+](CCC(N)=O)Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000095531113 208231297 /nfs/dbraw/zinc/23/12/97/208231297.db2.gz ZGYOFQHCZACFMM-NRFANRHFSA-N 2 1 397.519 1.792 50 0 GDAAMP C[NH+](C)CCNC(=O)c1csc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000034685173 570301865 /nfs/dbraw/zinc/30/18/65/570301865.db2.gz YGCIKZOJJBMYKA-UHFFFAOYSA-N 2 1 387.553 1.752 50 0 GDAAMP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000221330043 570393095 /nfs/dbraw/zinc/39/30/95/570393095.db2.gz FESHFAUTNSDYNA-HXUWFJFHSA-N 2 1 381.480 1.726 50 0 GDAAMP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000221330043 570393096 /nfs/dbraw/zinc/39/30/96/570393096.db2.gz FESHFAUTNSDYNA-HXUWFJFHSA-N 2 1 381.480 1.726 50 0 GDAAMP CC(=O)NCC[NH2+]Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000012453885 570668681 /nfs/dbraw/zinc/66/86/81/570668681.db2.gz VMNDUGDKANMFMX-QFIPXVFZSA-N 2 1 397.519 1.710 50 0 GDAAMP CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071763240 570850354 /nfs/dbraw/zinc/85/03/54/570850354.db2.gz SKAGYQCWLTZDMN-HXUWFJFHSA-N 2 1 387.572 1.778 50 0 GDAAMP CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)CCc1cc2n(n1)CCC[NH2+]C2 ZINC000072434844 208026037 /nfs/dbraw/zinc/02/60/37/208026037.db2.gz APFZIFIPVAQIJF-OAQYLSRUSA-N 2 1 381.524 1.824 50 0 GDAAMP Cc1noc([C@@H](C)N(C)C(=O)NCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000584903168 570270502 /nfs/dbraw/zinc/27/05/02/570270502.db2.gz LKLHLKPYUXSEFB-CQSZACIVSA-N 2 1 378.521 1.887 50 0 GDAAMP Cc1ccc2c(c1)C[N@@H+](CCC(=O)NCCC[NH+]1CCOCC1)C[C@H](C)O2 ZINC000012051374 570600817 /nfs/dbraw/zinc/60/08/17/570600817.db2.gz XCUUUMPARLSXAH-SFHVURJKSA-N 2 1 375.513 1.807 50 0 GDAAMP Cc1ccc2c(c1)C[N@H+](CCC(=O)NCCC[NH+]1CCOCC1)C[C@H](C)O2 ZINC000012051374 570600818 /nfs/dbraw/zinc/60/08/18/570600818.db2.gz XCUUUMPARLSXAH-SFHVURJKSA-N 2 1 375.513 1.807 50 0 GDAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000045966778 570649936 /nfs/dbraw/zinc/64/99/36/570649936.db2.gz FIWJZEJSOUYBSG-LJQANCHMSA-N 2 1 390.503 1.574 50 0 GDAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1 ZINC000045966784 570650000 /nfs/dbraw/zinc/65/00/00/570650000.db2.gz BBDMAGORBOWSMD-IBGZPJMESA-N 2 1 390.503 1.574 50 0 GDAAMP [NH3+]CCCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071760218 570849622 /nfs/dbraw/zinc/84/96/22/570849622.db2.gz BTUCUONFCRETNP-SFHVURJKSA-N 2 1 387.528 1.140 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000071774487 570852711 /nfs/dbraw/zinc/85/27/11/570852711.db2.gz SNCSVKWSVBWIRE-GOSISDBHSA-N 2 1 399.539 1.172 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)c4ccccn4)CC3)C2)CC1 ZINC000071774487 570852714 /nfs/dbraw/zinc/85/27/14/570852714.db2.gz SNCSVKWSVBWIRE-GOSISDBHSA-N 2 1 399.539 1.172 50 0 GDAAMP Cc1cccn2c(C[NH2+]CC[C@@H]3CCC[N@H+]3C)c(C(=O)N3CCOCC3)nc12 ZINC000019225655 207110177 /nfs/dbraw/zinc/11/01/77/207110177.db2.gz VFNNBCXQIRFIDK-KRWDZBQOSA-N 2 1 385.512 1.689 50 0 GDAAMP Cc1cccn2c(C[NH2+]CC[C@@H]3CCC[N@@H+]3C)c(C(=O)N3CCOCC3)nc12 ZINC000019225655 207110182 /nfs/dbraw/zinc/11/01/82/207110182.db2.gz VFNNBCXQIRFIDK-KRWDZBQOSA-N 2 1 385.512 1.689 50 0 GDAAMP C[NH+]1CCN(C(=O)CC[C@@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)CC1 ZINC000020455218 207194092 /nfs/dbraw/zinc/19/40/92/207194092.db2.gz HAIRCFMXOUUWSO-IBGZPJMESA-N 2 1 378.561 1.655 50 0 GDAAMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[NH+](C/C=C/c3ccccc3)CC1)C2=O ZINC000022785936 207262055 /nfs/dbraw/zinc/26/20/55/207262055.db2.gz CQPPQQQVONQZOT-VMPITWQZSA-N 2 1 397.523 1.291 50 0 GDAAMP CC[NH+]1CCN(C2(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)Cc3ccccc3C2)CC1 ZINC000023372827 207275733 /nfs/dbraw/zinc/27/57/33/207275733.db2.gz DFVOWJDDROIOBT-OAQYLSRUSA-N 2 1 382.552 1.468 50 0 GDAAMP CC[NH+]1CCN(C2(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)Cc3ccccc3C2)CC1 ZINC000023372827 207275737 /nfs/dbraw/zinc/27/57/37/207275737.db2.gz DFVOWJDDROIOBT-OAQYLSRUSA-N 2 1 382.552 1.468 50 0 GDAAMP Cc1ccc(-n2cccn2)c(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000091677991 208131982 /nfs/dbraw/zinc/13/19/82/208131982.db2.gz YCLIRKPLJGNBCW-NHCUHLMSSA-N 2 1 383.540 1.468 50 0 GDAAMP COCC[N@H+]1CCC[C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000426500047 533343315 /nfs/dbraw/zinc/34/33/15/533343315.db2.gz DUOZVGAEBUIBIS-SFHVURJKSA-N 2 1 375.517 1.580 50 0 GDAAMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(C(=O)N2CCOCC2)nc2ccccn21 ZINC000011935544 570593576 /nfs/dbraw/zinc/59/35/76/570593576.db2.gz NBLVBJZNUILOFC-UHFFFAOYSA-N 2 1 382.468 1.492 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)CCC4CC4)CC3)C2)CC1 ZINC000071422320 570833597 /nfs/dbraw/zinc/83/35/97/570833597.db2.gz IUUYIFTZNBNDRU-LJQANCHMSA-N 2 1 390.572 1.654 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)CCC4CC4)CC3)C2)CC1 ZINC000071422320 570833599 /nfs/dbraw/zinc/83/35/99/570833599.db2.gz IUUYIFTZNBNDRU-LJQANCHMSA-N 2 1 390.572 1.654 50 0 GDAAMP CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000071681781 570842493 /nfs/dbraw/zinc/84/24/93/570842493.db2.gz UBNFIMPCDQTDJC-HDICACEKSA-N 2 1 382.512 1.877 50 0 GDAAMP CN(C)C(=O)[C@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000023053384 207269072 /nfs/dbraw/zinc/26/90/72/207269072.db2.gz WRBCWBGTXBBKCX-WOJBJXKFSA-N 2 1 386.540 1.792 50 0 GDAAMP CCc1cc(N2CCOC[C@](O)(C[NH+]3CCCC3)C2)nc(N2CCCC2)[nH+]1 ZINC000077535767 208049189 /nfs/dbraw/zinc/04/91/89/208049189.db2.gz RWVZWAGRQQPCCS-FQEVSTJZSA-N 2 1 375.517 1.303 50 0 GDAAMP CC(C)[NH+]1CCC(C[N@H+]2CCCn3nc(CNC(=O)N(C)C)cc3C2)CC1 ZINC000082167163 208083483 /nfs/dbraw/zinc/08/34/83/208083483.db2.gz GLLOXPNNXWQZAI-UHFFFAOYSA-N 2 1 376.549 1.980 50 0 GDAAMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cccc(Cn4cccn4)c3)C[C@@H]2CO)CC1 ZINC000095359704 208160551 /nfs/dbraw/zinc/16/05/51/208160551.db2.gz CWBCPIFHZJFOQB-FGZHOGPDSA-N 2 1 383.540 1.219 50 0 GDAAMP O=C(NCCC1=CSC2=[NH+]CCCN12)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000102777756 570292143 /nfs/dbraw/zinc/29/21/43/570292143.db2.gz ZPFCJPRKVJFVCJ-ZDUSSCGKSA-N 2 1 375.502 1.048 50 0 GDAAMP O=C(NCCC1=CSC2=[NH+]CCCN12)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000102777752 570292186 /nfs/dbraw/zinc/29/21/86/570292186.db2.gz ZPFCJPRKVJFVCJ-CYBMUJFWSA-N 2 1 375.502 1.048 50 0 GDAAMP COc1cccc(C[N@@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)c1OCCC[NH+](C)C ZINC000216529432 570302918 /nfs/dbraw/zinc/30/29/18/570302918.db2.gz NEUWGQQNHRMYMB-SEXKYXSUSA-N 2 1 378.513 1.589 50 0 GDAAMP C[NH+](CCNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000005525271 570624930 /nfs/dbraw/zinc/62/49/30/570624930.db2.gz XWQAKOITLBLGEO-UHFFFAOYSA-N 2 1 382.508 1.483 50 0 GDAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C)cc1 ZINC000045966805 570649955 /nfs/dbraw/zinc/64/99/55/570649955.db2.gz MMWGBECYXGNTPO-FQEVSTJZSA-N 2 1 386.540 1.743 50 0 GDAAMP O=C([C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CC(O)C1 ZINC000071440447 570835420 /nfs/dbraw/zinc/83/54/20/570835420.db2.gz FLRAKJVESPQQPE-IBGZPJMESA-N 2 1 383.536 1.533 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)c4ccoc4)CC3)C2)CC1 ZINC000071754670 570848564 /nfs/dbraw/zinc/84/85/64/570848564.db2.gz HYCZNHNJGXFGME-KRWDZBQOSA-N 2 1 388.512 1.370 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)c4ccoc4)CC3)C2)CC1 ZINC000071754670 570848567 /nfs/dbraw/zinc/84/85/67/570848567.db2.gz HYCZNHNJGXFGME-KRWDZBQOSA-N 2 1 388.512 1.370 50 0 GDAAMP C[N@H+]1CC2(C[C@H]1C(=O)NCc1nc(Cc3cccs3)no1)CC[NH2+]CC2 ZINC000072430977 208024716 /nfs/dbraw/zinc/02/47/16/208024716.db2.gz TULNUQLIZREZTR-AWEZNQCLSA-N 2 1 375.498 1.412 50 0 GDAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cc4ccccc4n(C)c3=O)C[C@@H]2CO)CC1 ZINC000095385465 208174836 /nfs/dbraw/zinc/17/48/36/208174836.db2.gz HUOYAHLKLAEVLN-NHCUHLMSSA-N 2 1 398.551 1.216 50 0 GDAAMP COc1cc(C[N@@H+]2CCNC(=O)CC2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095506235 208208048 /nfs/dbraw/zinc/20/80/48/208208048.db2.gz HRNXBUBKWZALEA-KRWDZBQOSA-N 2 1 379.501 1.097 50 0 GDAAMP COc1cc(C[N@H+]2CCNC(=O)CC2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095506235 208208055 /nfs/dbraw/zinc/20/80/55/208208055.db2.gz HRNXBUBKWZALEA-KRWDZBQOSA-N 2 1 379.501 1.097 50 0 GDAAMP COc1cc(C[NH+]2CCNC(=O)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095506235 208208061 /nfs/dbraw/zinc/20/80/61/208208061.db2.gz HRNXBUBKWZALEA-KRWDZBQOSA-N 2 1 379.501 1.097 50 0 GDAAMP COc1cc(C[NH+]2CCNC(=O)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095506235 208208069 /nfs/dbraw/zinc/20/80/69/208208069.db2.gz HRNXBUBKWZALEA-KRWDZBQOSA-N 2 1 379.501 1.097 50 0 GDAAMP C[NH+](C)CCn1ccnc1C1CCN(c2nc(N3CC[C@@H](O)C3)cc[nH+]2)CC1 ZINC000095498994 136179661 /nfs/dbraw/zinc/17/96/61/136179661.db2.gz CSHXMAWXWUSRJU-QGZVFWFLSA-N 2 1 385.516 1.190 50 0 GDAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCNC(C)=O ZINC000011709807 570580616 /nfs/dbraw/zinc/58/06/16/570580616.db2.gz NXESSXPCIBUFKJ-FQEVSTJZSA-N 2 1 396.576 1.184 50 0 GDAAMP COc1[nH]c2cn(CCc3ccccn3)c(=O)c-2cc1C[NH2+]C1CC[NH2+]CC1 ZINC000071747332 570845828 /nfs/dbraw/zinc/84/58/28/570845828.db2.gz QQDKPCVLFPSKMQ-UHFFFAOYSA-N 2 1 381.480 1.525 50 0 GDAAMP C[NH2+]CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071755233 570848512 /nfs/dbraw/zinc/84/85/12/570848512.db2.gz WRQIEGMCUYPMEY-LJQANCHMSA-N 2 1 386.540 1.268 50 0 GDAAMP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071758762 570848995 /nfs/dbraw/zinc/84/89/95/570848995.db2.gz WOECXNKMSIPNBM-OAQYLSRUSA-N 2 1 399.583 1.874 50 0 GDAAMP COC(=O)CCCN1CCC([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000108490004 570989363 /nfs/dbraw/zinc/98/93/63/570989363.db2.gz XZZYQMMVUVCFNT-YSIASYRMSA-N 2 1 381.561 1.883 50 0 GDAAMP COC(=O)CCCN1CCC([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000108490004 570989367 /nfs/dbraw/zinc/98/93/67/570989367.db2.gz XZZYQMMVUVCFNT-YSIASYRMSA-N 2 1 381.561 1.883 50 0 GDAAMP CC(C)CNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](Cc2ccncc2)C1 ZINC000023352415 207275145 /nfs/dbraw/zinc/27/51/45/207275145.db2.gz WLPJJRONEUWCGT-NHCUHLMSSA-N 2 1 387.572 1.539 50 0 GDAAMP C[N@@H+](CCCN1CC2(CC[NH+](CCC(N)=O)CC2)OC1=O)C1CCCCC1 ZINC000077437664 208043395 /nfs/dbraw/zinc/04/33/95/208043395.db2.gz QYGNAVNXYCJZHX-UHFFFAOYSA-N 2 1 380.533 1.803 50 0 GDAAMP COc1ccc([C@@H]2CN(C(=O)N3CC[NH+](C)CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095371999 208167354 /nfs/dbraw/zinc/16/73/54/208167354.db2.gz UHKAXDMSFSGEII-PWRODBHTSA-N 2 1 384.524 1.925 50 0 GDAAMP Cc1[nH+]c(N(C)C)nc(N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1C ZINC000092046643 208146040 /nfs/dbraw/zinc/14/60/40/208146040.db2.gz XGQPNCNUZABVTG-LTCOOKNTSA-N 2 1 377.533 1.313 50 0 GDAAMP O=C1CO[C@H](CNc2[nH+]cnc3[nH]ccc32)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299797825 209091614 /nfs/dbraw/zinc/09/16/14/209091614.db2.gz QLMLNUWZKDCMOY-QGZVFWFLSA-N 2 1 398.511 1.719 50 0 GDAAMP COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1 ZINC000071767576 136166597 /nfs/dbraw/zinc/16/65/97/136166597.db2.gz JVMIAILBJXBKAF-HNNXBMFYSA-N 2 1 386.500 1.401 50 0 GDAAMP COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1 ZINC000071767576 136166598 /nfs/dbraw/zinc/16/65/98/136166598.db2.gz JVMIAILBJXBKAF-HNNXBMFYSA-N 2 1 386.500 1.401 50 0 GDAAMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283039906 570514234 /nfs/dbraw/zinc/51/42/34/570514234.db2.gz IHZZFWNIUOJNJK-UYAOXDASSA-N 2 1 384.524 1.387 50 0 GDAAMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283039906 570514235 /nfs/dbraw/zinc/51/42/35/570514235.db2.gz IHZZFWNIUOJNJK-UYAOXDASSA-N 2 1 384.524 1.387 50 0 GDAAMP Cc1ccccc1CN(C)C(=O)CN1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000225407822 570570765 /nfs/dbraw/zinc/57/07/65/570570765.db2.gz YIAXPLXNZZZZFK-UHFFFAOYSA-N 2 1 388.556 1.293 50 0 GDAAMP CCn1ncc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1C ZINC000039412886 570590732 /nfs/dbraw/zinc/59/07/32/570590732.db2.gz BGYJXJWOPJCADU-OAQYLSRUSA-N 2 1 377.577 1.953 50 0 GDAAMP CCn1ncc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1C ZINC000039412886 570590735 /nfs/dbraw/zinc/59/07/35/570590735.db2.gz BGYJXJWOPJCADU-OAQYLSRUSA-N 2 1 377.577 1.953 50 0 GDAAMP Cc1nc(C(=O)NCCC[NH+]2CCN(C)CC2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257288 570756040 /nfs/dbraw/zinc/75/60/40/570756040.db2.gz WXOAJZFPCADSTH-UHFFFAOYSA-N 2 1 376.549 1.134 50 0 GDAAMP C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000067714026 570787822 /nfs/dbraw/zinc/78/78/22/570787822.db2.gz IVNRIWRLPDXWRQ-LJQANCHMSA-N 2 1 397.523 1.816 50 0 GDAAMP C[N@H+]1CCC[C@@H]1CNC(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000067714026 570787825 /nfs/dbraw/zinc/78/78/25/570787825.db2.gz IVNRIWRLPDXWRQ-LJQANCHMSA-N 2 1 397.523 1.816 50 0 GDAAMP CNc1cc(C)[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)n1 ZINC000071589570 570841330 /nfs/dbraw/zinc/84/13/30/570841330.db2.gz PDXYFIJAWCBENM-MRXNPFEDSA-N 2 1 390.532 1.270 50 0 GDAAMP C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071681443 570842334 /nfs/dbraw/zinc/84/23/34/570842334.db2.gz IIHVJPKRRBXPMH-HXUWFJFHSA-N 2 1 399.583 1.968 50 0 GDAAMP O=C([C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CC[NH2+]CC1 ZINC000071748204 570845747 /nfs/dbraw/zinc/84/57/47/570845747.db2.gz RRZGFTSEKXWXCO-KRWDZBQOSA-N 2 1 397.523 1.940 50 0 GDAAMP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072134459 570869340 /nfs/dbraw/zinc/86/93/40/570869340.db2.gz KSVJVCLXVNYAJU-NRFANRHFSA-N 3 1 384.568 1.885 50 0 GDAAMP C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000072163829 570876257 /nfs/dbraw/zinc/87/62/57/570876257.db2.gz JKSPOKJMCJWOSS-FQEVSTJZSA-N 2 1 399.583 1.968 50 0 GDAAMP O[C@@H](COc1ccccc1CNCC[NH+]1CCCC1)C[NH+]1CCSCC1 ZINC000023359831 207275678 /nfs/dbraw/zinc/27/56/78/207275678.db2.gz FHUXTPLFSLRESY-LJQANCHMSA-N 2 1 379.570 1.661 50 0 GDAAMP CC(C)C[N@@H+](C)CCCN1CC2(CCN(C(=O)[C@@H]([NH3+])C3CC3)CC2)OC1=O ZINC000077379325 208040715 /nfs/dbraw/zinc/04/07/15/208040715.db2.gz LPQPWQYKBNMDQD-KRWDZBQOSA-N 2 1 380.533 1.515 50 0 GDAAMP O=C(NCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082156677 208081673 /nfs/dbraw/zinc/08/16/73/208081673.db2.gz QUGRCJWDSLCCAQ-OAQYLSRUSA-N 2 1 399.583 1.970 50 0 GDAAMP CNC(=O)C[N@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095518122 208217932 /nfs/dbraw/zinc/21/79/32/208217932.db2.gz UYNKMPMEDCCSQK-NRFANRHFSA-N 2 1 397.519 1.662 50 0 GDAAMP CNC(=O)C[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095518122 208217936 /nfs/dbraw/zinc/21/79/36/208217936.db2.gz UYNKMPMEDCCSQK-NRFANRHFSA-N 2 1 397.519 1.662 50 0 GDAAMP CNC(=O)C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000095518122 208217939 /nfs/dbraw/zinc/21/79/39/208217939.db2.gz UYNKMPMEDCCSQK-NRFANRHFSA-N 2 1 397.519 1.662 50 0 GDAAMP CNC(=O)C[NH+](C)Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000095518122 208217942 /nfs/dbraw/zinc/21/79/42/208217942.db2.gz UYNKMPMEDCCSQK-NRFANRHFSA-N 2 1 397.519 1.662 50 0 GDAAMP COc1cc(C[N@H+]2CCCOCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095528263 208225490 /nfs/dbraw/zinc/22/54/90/208225490.db2.gz IMPKXQOSMNHTEJ-GOSISDBHSA-N 2 1 396.553 1.706 50 0 GDAAMP CNc1cc[nH+]c(NC[C@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299765733 209084549 /nfs/dbraw/zinc/08/45/49/209084549.db2.gz CIMAJQOYRGCLGQ-KRWDZBQOSA-N 2 1 388.516 1.280 50 0 GDAAMP COCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000012372962 570648308 /nfs/dbraw/zinc/64/83/08/570648308.db2.gz CBIBWOSQEKHZKX-SFHVURJKSA-N 2 1 377.529 1.944 50 0 GDAAMP CC(=O)NCC[NH2+]Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000012453888 570668634 /nfs/dbraw/zinc/66/86/34/570668634.db2.gz VMNDUGDKANMFMX-JOCHJYFZSA-N 2 1 397.519 1.710 50 0 GDAAMP C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071749770 570846436 /nfs/dbraw/zinc/84/64/36/570846436.db2.gz BERLCMOZZYIYQV-OAQYLSRUSA-N 2 1 399.583 1.922 50 0 GDAAMP C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071749770 570846437 /nfs/dbraw/zinc/84/64/37/570846437.db2.gz BERLCMOZZYIYQV-OAQYLSRUSA-N 2 1 399.583 1.922 50 0 GDAAMP C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071749770 570846438 /nfs/dbraw/zinc/84/64/38/570846438.db2.gz BERLCMOZZYIYQV-OAQYLSRUSA-N 2 1 399.583 1.922 50 0 GDAAMP COC(=O)c1c(O)cc(=O)n2c1CC[N@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)CC2 ZINC000072167582 570877086 /nfs/dbraw/zinc/87/70/86/570877086.db2.gz QQZCRNGXWFGNQP-JKSUJKDBSA-N 2 1 389.496 1.463 50 0 GDAAMP COC(=O)c1c(O)cc(=O)n2c1CC[N@@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)CC2 ZINC000072167582 570877087 /nfs/dbraw/zinc/87/70/87/570877087.db2.gz QQZCRNGXWFGNQP-JKSUJKDBSA-N 2 1 389.496 1.463 50 0 GDAAMP COC(=O)c1c(O)cc(=O)n2c1CC[NH+](C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000072167582 570877089 /nfs/dbraw/zinc/87/70/89/570877089.db2.gz QQZCRNGXWFGNQP-JKSUJKDBSA-N 2 1 389.496 1.463 50 0 GDAAMP COC(=O)c1c(O)cc(=O)n2c1CC[NH+](C[C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000072167582 570877090 /nfs/dbraw/zinc/87/70/90/570877090.db2.gz QQZCRNGXWFGNQP-JKSUJKDBSA-N 2 1 389.496 1.463 50 0 GDAAMP CC[N@@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(OC)c1)C1CC1 ZINC000095523383 571088883 /nfs/dbraw/zinc/08/88/83/571088883.db2.gz RUCOPOVWGCGLSR-LJQANCHMSA-N 2 1 378.513 1.876 50 0 GDAAMP COc1cc2c(cc1CNC(=O)[C@@H]1CC3(C[N@H+]1C)CC[NH2+]CC3)OCCO2 ZINC000072422835 208021328 /nfs/dbraw/zinc/02/13/28/208021328.db2.gz RYMCFKYRPZDKGG-HNNXBMFYSA-N 2 1 375.469 1.157 50 0 GDAAMP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)CC2CC2)c1 ZINC000095498127 208198026 /nfs/dbraw/zinc/19/80/26/208198026.db2.gz OSSXXONODXSKPJ-IBGZPJMESA-N 2 1 378.513 1.733 50 0 GDAAMP O=C(CC[C@@H]1CCC[N@@H+](C(CO)CO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095501583 208200480 /nfs/dbraw/zinc/20/04/80/208200480.db2.gz CAFMESOPZJFNDN-FQEVSTJZSA-N 2 1 389.540 1.176 50 0 GDAAMP O=C(CC[C@@H]1CCC[N@H+](C(CO)CO)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000095501583 208200485 /nfs/dbraw/zinc/20/04/85/208200485.db2.gz CAFMESOPZJFNDN-FQEVSTJZSA-N 2 1 389.540 1.176 50 0 GDAAMP COc1ccc(-n2cccn2)c(C[NH+]2CCN(c3cc(C)[nH+]c(N)n3)CC2)c1 ZINC000065505173 136164098 /nfs/dbraw/zinc/16/40/98/136164098.db2.gz WLFDZAHUYSCRLB-UHFFFAOYSA-N 2 1 379.468 1.884 50 0 GDAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+][C@H]3CC[C@H](O)CC3)c2)CC1 ZINC000244811738 570433850 /nfs/dbraw/zinc/43/38/50/570433850.db2.gz SKGJIQBBSMPRRP-NJDAHSKKSA-N 2 1 391.556 1.457 50 0 GDAAMP CNC(=O)[C@@H]1C[C@H](n2cc(-c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)nn2)C[NH2+]1 ZINC000067955066 570798364 /nfs/dbraw/zinc/79/83/64/570798364.db2.gz AZIJYYULYQBLQG-QXGSTGNESA-N 2 1 398.511 1.203 50 0 GDAAMP [NH3+]CCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071707763 570843387 /nfs/dbraw/zinc/84/33/87/570843387.db2.gz BGKZEVOCTXYINY-FQEVSTJZSA-N 3 1 384.568 1.795 50 0 GDAAMP [NH3+]CCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071707763 570843390 /nfs/dbraw/zinc/84/33/90/570843390.db2.gz BGKZEVOCTXYINY-FQEVSTJZSA-N 2 1 384.568 1.795 50 0 GDAAMP [NH3+]CCCNC(=O)[C@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071707763 570843391 /nfs/dbraw/zinc/84/33/91/570843391.db2.gz BGKZEVOCTXYINY-FQEVSTJZSA-N 2 1 384.568 1.795 50 0 GDAAMP C[C@H](C(N)=O)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000095519445 211266801 /nfs/dbraw/zinc/26/68/01/211266801.db2.gz JDJOSJCMWBKYSI-CYBMUJFWSA-N 2 1 396.919 1.348 50 0 GDAAMP COc1ccc(C[N@@H+](C)CC2CC2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095496894 211249810 /nfs/dbraw/zinc/24/98/10/211249810.db2.gz QGEOVPCFVNZZDJ-LJQANCHMSA-N 2 1 377.529 1.524 50 0 GDAAMP C[NH+](C)Cc1csc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c1 ZINC000091616426 211199438 /nfs/dbraw/zinc/19/94/38/211199438.db2.gz BLVCTCYIEYQORP-RTBURBONSA-N 3 1 380.602 1.488 50 0 GDAAMP CN(C)Cc1csc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c1 ZINC000091616426 211199441 /nfs/dbraw/zinc/19/94/41/211199441.db2.gz BLVCTCYIEYQORP-RTBURBONSA-N 2 1 380.602 1.488 50 0 GDAAMP CN(C)Cc1csc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c1 ZINC000091616426 211199444 /nfs/dbraw/zinc/19/94/44/211199444.db2.gz BLVCTCYIEYQORP-RTBURBONSA-N 2 1 380.602 1.488 50 0 GDAAMP CN(C)Cc1csc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c1 ZINC000091616426 211199449 /nfs/dbraw/zinc/19/94/49/211199449.db2.gz BLVCTCYIEYQORP-RTBURBONSA-N 2 1 380.602 1.488 50 0 GDAAMP CN(C)Cc1csc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c1 ZINC000091616426 211199451 /nfs/dbraw/zinc/19/94/51/211199451.db2.gz BLVCTCYIEYQORP-RTBURBONSA-N 2 1 380.602 1.488 50 0 GDAAMP C[NH+](C)Cc1csc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c1 ZINC000091616426 211199432 /nfs/dbraw/zinc/19/94/32/211199432.db2.gz BLVCTCYIEYQORP-RTBURBONSA-N 3 1 380.602 1.488 50 0 GDAAMP C[NH+](C)Cc1csc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c1 ZINC000091616426 211199435 /nfs/dbraw/zinc/19/94/35/211199435.db2.gz BLVCTCYIEYQORP-RTBURBONSA-N 3 1 380.602 1.488 50 0 GDAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]2CO)CC1 ZINC000091768755 211206284 /nfs/dbraw/zinc/20/62/84/211206284.db2.gz UUCVUIONIVUVFV-WOJBJXKFSA-N 2 1 384.524 1.206 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]2CO)CC1 ZINC000091768755 211206287 /nfs/dbraw/zinc/20/62/87/211206287.db2.gz UUCVUIONIVUVFV-WOJBJXKFSA-N 2 1 384.524 1.206 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]2CO)CC1 ZINC000091768755 211206290 /nfs/dbraw/zinc/20/62/90/211206290.db2.gz UUCVUIONIVUVFV-WOJBJXKFSA-N 2 1 384.524 1.206 50 0 GDAAMP NC(=O)c1ccc2[nH]c(C[NH+]3CCC(O)(C[NH+]4CCCC4)CC3)cc(=O)c2c1 ZINC000091326577 211189734 /nfs/dbraw/zinc/18/97/34/211189734.db2.gz IXOUDBAIEKMENX-UHFFFAOYSA-N 2 1 384.480 1.050 50 0 GDAAMP C[C@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[N@@H+](C)C1CC1 ZINC000089900552 211185156 /nfs/dbraw/zinc/18/51/56/211185156.db2.gz UTCJPKBEZMAVRT-CYBMUJFWSA-N 2 1 396.919 1.818 50 0 GDAAMP CCN1CCC([NH+]2CCC3(CN(CC[N@@H+](C)CCOC)C(=O)O3)CC2)CC1 ZINC000072448043 211120259 /nfs/dbraw/zinc/12/02/59/211120259.db2.gz YHBLWLBWNFCJRV-UHFFFAOYSA-N 2 1 382.549 1.336 50 0 GDAAMP COCC[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCC[NH+](C)CC2)c1 ZINC000020451184 210335953 /nfs/dbraw/zinc/33/59/53/210335953.db2.gz LREUTURKOZGYJN-IBGZPJMESA-N 2 1 395.544 1.151 50 0 GDAAMP COCC[NH+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCC[N@H+](C)CC2)c1 ZINC000020451184 210335959 /nfs/dbraw/zinc/33/59/59/210335959.db2.gz LREUTURKOZGYJN-IBGZPJMESA-N 2 1 395.544 1.151 50 0 GDAAMP COCC[NH+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CCC[N@@H+](C)CC2)c1 ZINC000020451184 210335963 /nfs/dbraw/zinc/33/59/63/210335963.db2.gz LREUTURKOZGYJN-IBGZPJMESA-N 2 1 395.544 1.151 50 0 GDAAMP COCC[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCN(C)CC2)c1 ZINC000020451184 210335969 /nfs/dbraw/zinc/33/59/69/210335969.db2.gz LREUTURKOZGYJN-IBGZPJMESA-N 2 1 395.544 1.151 50 0 GDAAMP COCC[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCN(C)CC2)c1 ZINC000020451184 210335978 /nfs/dbraw/zinc/33/59/78/210335978.db2.gz LREUTURKOZGYJN-IBGZPJMESA-N 2 1 395.544 1.151 50 0 GDAAMP COCC[NH+](C)Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+]2CCCN(C)CC2)c1 ZINC000020451184 210335984 /nfs/dbraw/zinc/33/59/84/210335984.db2.gz LREUTURKOZGYJN-IBGZPJMESA-N 2 1 395.544 1.151 50 0 GDAAMP COCC[NH+](C)Cc1ccc(OC)c(OC[C@@H](O)C[N@H+]2CCCN(C)CC2)c1 ZINC000020451184 210335990 /nfs/dbraw/zinc/33/59/90/210335990.db2.gz LREUTURKOZGYJN-IBGZPJMESA-N 2 1 395.544 1.151 50 0 GDAAMP CCCc1cc(N2CCC([NH2+][C@H]3CC(=O)N(CCOC)C3)CC2)nc(C)[nH+]1 ZINC000096132630 136184096 /nfs/dbraw/zinc/18/40/96/136184096.db2.gz UYYVCBJCFZOLIX-SFHVURJKSA-N 2 1 375.517 1.543 50 0 GDAAMP CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000045966780 570650038 /nfs/dbraw/zinc/65/00/38/570650038.db2.gz FIWJZEJSOUYBSG-IBGZPJMESA-N 2 1 390.503 1.574 50 0 GDAAMP Cn1cncc1C[NH+]1CCC2(CC1)CC[N@H+](Cc1cscn1)C[C@@H]2CO ZINC000097819444 211374872 /nfs/dbraw/zinc/37/48/72/211374872.db2.gz DFMLSAXMKAMWSK-MRXNPFEDSA-N 2 1 375.542 1.973 50 0 GDAAMP Cn1cncc1C[NH+]1CCC2(CC1)CC[N@@H+](Cc1cscn1)C[C@@H]2CO ZINC000097819444 211374877 /nfs/dbraw/zinc/37/48/77/211374877.db2.gz DFMLSAXMKAMWSK-MRXNPFEDSA-N 2 1 375.542 1.973 50 0 GDAAMP COc1ccc(C[N@@H+](C)CC2CC2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095496893 211250438 /nfs/dbraw/zinc/25/04/38/211250438.db2.gz QGEOVPCFVNZZDJ-IBGZPJMESA-N 2 1 377.529 1.524 50 0 GDAAMP Cc1nncn1CC[N@@H+]1CCC[C@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1 ZINC000095509477 211259978 /nfs/dbraw/zinc/25/99/78/211259978.db2.gz WRKYTTLJWHKTNK-GOSISDBHSA-N 2 1 376.549 1.631 50 0 GDAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cc(C)c(OC)cc3C)C[C@@H]2CO)CC1 ZINC000091650957 211201697 /nfs/dbraw/zinc/20/16/97/211201697.db2.gz KDOLEUPLEDSJTN-NHCUHLMSSA-N 2 1 375.557 1.990 50 0 GDAAMP COc1cccc(OC)c1C[N@H+]1CC[C@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091526850 211193773 /nfs/dbraw/zinc/19/37/73/211193773.db2.gz LNXLFLNVNVCWQB-NRFANRHFSA-N 2 1 378.513 1.999 50 0 GDAAMP CNC(=O)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071419549 211048128 /nfs/dbraw/zinc/04/81/28/211048128.db2.gz GQNJXNIOMOSNHE-LJQANCHMSA-N 2 1 386.540 1.268 50 0 GDAAMP CNC(=O)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071419549 211048131 /nfs/dbraw/zinc/04/81/31/211048131.db2.gz GQNJXNIOMOSNHE-LJQANCHMSA-N 2 1 386.540 1.268 50 0 GDAAMP COCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3c[nH+]c(C)n3C)CC2)C1 ZINC000067713070 211017466 /nfs/dbraw/zinc/01/74/66/211017466.db2.gz PQRQQTPGGVOEIO-KRWDZBQOSA-N 2 1 377.533 1.168 50 0 GDAAMP COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3c[nH+]c(C)n3C)CC2)C1 ZINC000067713070 211017467 /nfs/dbraw/zinc/01/74/67/211017467.db2.gz PQRQQTPGGVOEIO-KRWDZBQOSA-N 2 1 377.533 1.168 50 0 GDAAMP CC[NH+](CC)CC(=O)N(C[C@@H]1CCC[N@H+]1CC)CC1CC[NH+](CCOC)CC1 ZINC000011934888 221139271 /nfs/dbraw/zinc/13/92/71/221139271.db2.gz NKKBOEUNWHPOKL-NRFANRHFSA-N 3 1 396.620 2.000 50 0 GDAAMP CCN(CC)CC(=O)N(C[C@@H]1CCC[N@@H+]1CC)CC1CC[NH+](CCOC)CC1 ZINC000011934888 221139274 /nfs/dbraw/zinc/13/92/74/221139274.db2.gz NKKBOEUNWHPOKL-NRFANRHFSA-N 2 1 396.620 2.000 50 0 GDAAMP CCN(CC)CC(=O)N(C[C@@H]1CCC[N@H+]1CC)CC1CC[NH+](CCOC)CC1 ZINC000011934888 221139277 /nfs/dbraw/zinc/13/92/77/221139277.db2.gz NKKBOEUNWHPOKL-NRFANRHFSA-N 2 1 396.620 2.000 50 0 GDAAMP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccco4)C3)CC2)nc(N)[nH+]1 ZINC000095528461 136181730 /nfs/dbraw/zinc/18/17/30/136181730.db2.gz ZDHVBNUWGQJRGL-MRXNPFEDSA-N 2 1 384.484 1.521 50 0 GDAAMP CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000023053383 570341644 /nfs/dbraw/zinc/34/16/44/570341644.db2.gz WRBCWBGTXBBKCX-BGYRXZFFSA-N 2 1 386.540 1.792 50 0 GDAAMP CN(C)C(=O)[C@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000023053383 570341646 /nfs/dbraw/zinc/34/16/46/570341646.db2.gz WRBCWBGTXBBKCX-BGYRXZFFSA-N 2 1 386.540 1.792 50 0 GDAAMP CN(C)C(=O)[C@H]1CCC[NH+]1Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000023053383 570341647 /nfs/dbraw/zinc/34/16/47/570341647.db2.gz WRBCWBGTXBBKCX-BGYRXZFFSA-N 2 1 386.540 1.792 50 0 GDAAMP CC(=O)NCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012091614 570607752 /nfs/dbraw/zinc/60/77/52/570607752.db2.gz IWPLDTNKYLKQEB-GOSISDBHSA-N 2 1 392.519 1.564 50 0 GDAAMP CCn1c(CN2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252551802 570730155 /nfs/dbraw/zinc/73/01/55/570730155.db2.gz UHHCJMCPGRKUPQ-WNKDZCFJSA-N 2 1 376.549 1.576 50 0 GDAAMP CC[NH+]1CCN(Cc2ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c2)CC1 ZINC000095506163 211257677 /nfs/dbraw/zinc/25/76/77/211257677.db2.gz GCIAOFIAOPSEJD-LJQANCHMSA-N 2 1 379.545 1.913 50 0 GDAAMP Cc1[nH+]ccn1CCCC(=O)N1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000095385564 211234674 /nfs/dbraw/zinc/23/46/74/211234674.db2.gz GVGRVWKJGFTZEJ-UHFFFAOYSA-N 2 1 389.544 1.765 50 0 GDAAMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@H](CO)[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095382649 211231976 /nfs/dbraw/zinc/23/19/76/211231976.db2.gz IFLGKSXPNCJPST-NHCUHLMSSA-N 2 1 383.540 1.468 50 0 GDAAMP Cc1[nH+]cn(CC(=O)N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)c1C ZINC000091737487 211205032 /nfs/dbraw/zinc/20/50/32/211205032.db2.gz KYMUGGDVOPIKCS-UHFFFAOYSA-N 2 1 375.517 1.293 50 0 GDAAMP C[C@@H]([NH3+])C(=O)N1CCC2(CN(CC[N@@H+](C)CCc3ccccc3)C(=O)O2)CC1 ZINC000077437999 211134915 /nfs/dbraw/zinc/13/49/15/211134915.db2.gz WVBDMHNNAHLWRN-QGZVFWFLSA-N 2 1 388.512 1.322 50 0 GDAAMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071754091 211058821 /nfs/dbraw/zinc/05/88/21/211058821.db2.gz KGARTSQXGLSIDR-OAQYLSRUSA-N 2 1 399.583 1.922 50 0 GDAAMP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071754091 211058828 /nfs/dbraw/zinc/05/88/28/211058828.db2.gz KGARTSQXGLSIDR-OAQYLSRUSA-N 2 1 399.583 1.922 50 0 GDAAMP C[N@H+]1CCC[C@H](Nc2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)C1 ZINC000067934855 211029272 /nfs/dbraw/zinc/02/92/72/211029272.db2.gz LQIPKGZYEDBKEF-SFHVURJKSA-N 2 1 387.528 1.525 50 0 GDAAMP Cc1cc(N2CC[C@@H]([NH+]3CCN(CCc4ccccc4)CC3)[C@H](O)C2)nc(N)[nH+]1 ZINC000071714632 136165774 /nfs/dbraw/zinc/16/57/74/136165774.db2.gz COHYSBHSDFZPIN-WOJBJXKFSA-N 2 1 396.539 1.167 50 0 GDAAMP Cc1[nH+]c(N(C)C)nc(N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)c1C ZINC000091713329 136177037 /nfs/dbraw/zinc/17/70/37/136177037.db2.gz WVQHOLIRASXJAZ-MOPGFXCFSA-N 2 1 390.576 1.374 50 0 GDAAMP COc1ccc(C[N@@H+](C)CC(C)C)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000019534937 210258184 /nfs/dbraw/zinc/25/81/84/210258184.db2.gz GFDLEUSEOVTFCN-LJQANCHMSA-N 2 1 379.545 1.770 50 0 GDAAMP COc1ccc(C[N@H+](C)CC(C)C)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000019534937 210258198 /nfs/dbraw/zinc/25/81/98/210258198.db2.gz GFDLEUSEOVTFCN-LJQANCHMSA-N 2 1 379.545 1.770 50 0 GDAAMP COc1ccc(C[N@@H+](C)CC(C)C)cc1OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000019534937 210258203 /nfs/dbraw/zinc/25/82/03/210258203.db2.gz GFDLEUSEOVTFCN-LJQANCHMSA-N 2 1 379.545 1.770 50 0 GDAAMP COc1cccc(C[N@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)c1OC ZINC000091906745 211210183 /nfs/dbraw/zinc/21/01/83/211210183.db2.gz VJRRUTPRIGJGRL-NRFANRHFSA-N 2 1 378.513 1.999 50 0 GDAAMP COc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cc1C ZINC000091306052 211190083 /nfs/dbraw/zinc/19/00/83/211190083.db2.gz HTLLMSHRXMUBMP-NHCUHLMSSA-N 2 1 375.557 1.990 50 0 GDAAMP COc1cc(C)c(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cc1C ZINC000091306052 211190085 /nfs/dbraw/zinc/19/00/85/211190085.db2.gz HTLLMSHRXMUBMP-NHCUHLMSSA-N 2 1 375.557 1.990 50 0 GDAAMP COc1cc(C)c(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cc1C ZINC000091306052 211190088 /nfs/dbraw/zinc/19/00/88/211190088.db2.gz HTLLMSHRXMUBMP-NHCUHLMSSA-N 2 1 375.557 1.990 50 0 GDAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCc1nc(Cc3cccs3)no1)CC[NH2+]CC2 ZINC000072430976 211117957 /nfs/dbraw/zinc/11/79/57/211117957.db2.gz TULNUQLIZREZTR-CQSZACIVSA-N 2 1 375.498 1.412 50 0 GDAAMP Nc1nc(C2CC([NH3+])C2)cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000219261614 136204154 /nfs/dbraw/zinc/20/41/54/136204154.db2.gz XTRAAKXVMRNETL-UHFFFAOYSA-N 2 1 382.468 1.314 50 0 GDAAMP CN(C(=O)C[C@H]1C(=O)NCC[N@H+]1CC(C)(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000011874585 570589959 /nfs/dbraw/zinc/58/99/59/570589959.db2.gz GLGQOYVRECINIE-INIZCTEOSA-N 2 1 380.577 1.991 50 0 GDAAMP CN(C(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(C)(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000011874585 570589961 /nfs/dbraw/zinc/58/99/61/570589961.db2.gz GLGQOYVRECINIE-INIZCTEOSA-N 2 1 380.577 1.991 50 0 GDAAMP COc1cc(C[NH2+]CCn2cccn2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012049974 570600927 /nfs/dbraw/zinc/60/09/27/570600927.db2.gz IXHJOKXVOWUYOK-GOSISDBHSA-N 2 1 376.501 1.761 50 0 GDAAMP [NH3+]C1CC[NH+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)CC1 ZINC000048422472 570658235 /nfs/dbraw/zinc/65/82/35/570658235.db2.gz JKXSTDFOIGSHGL-UHFFFAOYSA-N 2 1 378.480 1.799 50 0 GDAAMP Cc1[nH+]c(CN2C[C@@H](CO)C[C@H](C[N@@H+]3CCCN(C)CC3)C2)c2ccccn12 ZINC000091439970 211191765 /nfs/dbraw/zinc/19/17/65/211191765.db2.gz ZULWZMUCXZHHTA-UXHICEINSA-N 2 1 385.556 1.711 50 0 GDAAMP C[NH+](C)CCN1C[C@@]2(CCC[N@@H+](Cc3cccc(OCCO)c3)C2)CCC1=O ZINC000091425066 211191423 /nfs/dbraw/zinc/19/14/23/211191423.db2.gz QXWYQAJFPCTOPN-QFIPXVFZSA-N 2 1 389.540 1.824 50 0 GDAAMP C[C@@H]([NH3+])C(=O)N1CCC2(CN(CCC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077519000 211135890 /nfs/dbraw/zinc/13/58/90/211135890.db2.gz PRLJDEDWMWJLRY-MRXNPFEDSA-N 2 1 380.533 1.802 50 0 GDAAMP Cc1cc[nH+]c(NCCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC2CCCCC2)c1 ZINC000072152613 211077308 /nfs/dbraw/zinc/07/73/08/211077308.db2.gz QYTZVXOYJNLJLX-GOSISDBHSA-N 2 1 387.528 1.689 50 0 GDAAMP CC(C)[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071776394 211063278 /nfs/dbraw/zinc/06/32/78/211063278.db2.gz YMPMAWMIBCAKHZ-FQEVSTJZSA-N 2 1 376.520 1.790 50 0 GDAAMP C[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071738727 211053865 /nfs/dbraw/zinc/05/38/65/211053865.db2.gz LJKAYCARAQHZGO-OAQYLSRUSA-N 2 1 399.583 1.922 50 0 GDAAMP C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071738727 211053870 /nfs/dbraw/zinc/05/38/70/211053870.db2.gz LJKAYCARAQHZGO-OAQYLSRUSA-N 2 1 399.583 1.922 50 0 GDAAMP C[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071738727 211053877 /nfs/dbraw/zinc/05/38/77/211053877.db2.gz LJKAYCARAQHZGO-OAQYLSRUSA-N 2 1 399.583 1.922 50 0 GDAAMP [NH3+]C1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071750395 211055767 /nfs/dbraw/zinc/05/57/67/211055767.db2.gz NTCSUCMGXAUHDD-IBGZPJMESA-N 2 1 385.556 1.708 50 0 GDAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1)N1CC(O)C1 ZINC000071440448 211049866 /nfs/dbraw/zinc/04/98/66/211049866.db2.gz FLRAKJVESPQQPE-LJQANCHMSA-N 2 1 383.536 1.533 50 0 GDAAMP COCC[N@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCN(C)CC2)cc1)C(C)C ZINC000020910062 210368048 /nfs/dbraw/zinc/36/80/48/210368048.db2.gz CEXHGKOAPDEXLL-HXUWFJFHSA-N 2 1 379.545 1.531 50 0 GDAAMP COCC[N@@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCN(C)CC2)cc1)C(C)C ZINC000020910062 210368049 /nfs/dbraw/zinc/36/80/49/210368049.db2.gz CEXHGKOAPDEXLL-HXUWFJFHSA-N 2 1 379.545 1.531 50 0 GDAAMP COCC[N@@H+](Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1)C(C)C ZINC000020910062 210368039 /nfs/dbraw/zinc/36/80/39/210368039.db2.gz CEXHGKOAPDEXLL-HXUWFJFHSA-N 2 1 379.545 1.531 50 0 GDAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCCOC(C)C)c2)CC1 ZINC000019770776 210295974 /nfs/dbraw/zinc/29/59/74/210295974.db2.gz LPFJFGQHYAFSTJ-NRFANRHFSA-N 2 1 393.572 1.969 50 0 GDAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]CCCSC)c2)CC1 ZINC000019745363 210291417 /nfs/dbraw/zinc/29/14/17/210291417.db2.gz LIVPQHZUAMFFKN-IBGZPJMESA-N 2 1 381.586 1.907 50 0 GDAAMP CN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC(C)(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000011874584 570589888 /nfs/dbraw/zinc/58/98/88/570589888.db2.gz GLGQOYVRECINIE-MRXNPFEDSA-N 2 1 380.577 1.991 50 0 GDAAMP CN(C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(C)(C)C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000011874584 570589891 /nfs/dbraw/zinc/58/98/91/570589891.db2.gz GLGQOYVRECINIE-MRXNPFEDSA-N 2 1 380.577 1.991 50 0 GDAAMP CCc1[nH+]ccn1CCC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](CCCO)C1 ZINC000095512946 211262284 /nfs/dbraw/zinc/26/22/84/211262284.db2.gz ZUSNMXUELWDWND-MOPGFXCFSA-N 2 1 391.560 1.073 50 0 GDAAMP CNC(=O)C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)c(OC)c1 ZINC000095505380 211258161 /nfs/dbraw/zinc/25/81/61/211258161.db2.gz RJYGNJBAPLRZQT-GOSISDBHSA-N 2 1 393.528 1.489 50 0 GDAAMP CNC(=O)C[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCC2)c(OC)c1 ZINC000095505380 211258167 /nfs/dbraw/zinc/25/81/67/211258167.db2.gz RJYGNJBAPLRZQT-GOSISDBHSA-N 2 1 393.528 1.489 50 0 GDAAMP C[NH+](C)CCCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082108203 211161600 /nfs/dbraw/zinc/16/16/00/211161600.db2.gz RNIFYEXDHJSFQV-SFHVURJKSA-N 2 1 378.561 1.654 50 0 GDAAMP COc1ccc(CNC(=O)C2CC[NH+](Cc3cc4n(n3)CCC[NH2+]C4)CC2)cc1 ZINC000072161459 211078697 /nfs/dbraw/zinc/07/86/97/211078697.db2.gz QPKTVUSLEJAGSE-UHFFFAOYSA-N 2 1 397.523 1.913 50 0 GDAAMP CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CN1CCCCC1=O ZINC000012702914 570699389 /nfs/dbraw/zinc/69/93/89/570699389.db2.gz DMTOMQQMFNFHMP-UHFFFAOYSA-N 2 1 378.561 1.654 50 0 GDAAMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000058918601 570736307 /nfs/dbraw/zinc/73/63/07/570736307.db2.gz UEJXVDSHURYSDN-QGZVFWFLSA-N 2 1 388.560 1.784 50 0 GDAAMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)CC1 ZINC000058918601 570736311 /nfs/dbraw/zinc/73/63/11/570736311.db2.gz UEJXVDSHURYSDN-QGZVFWFLSA-N 2 1 388.560 1.784 50 0 GDAAMP C[N@@H+]1CCCN(c2cnn(Cc3[nH+]ccn3Cc3ccccc3)c(=O)c2)CC1 ZINC000095518123 211264818 /nfs/dbraw/zinc/26/48/18/211264818.db2.gz CWCRASPGLHBHGI-UHFFFAOYSA-N 2 1 378.480 1.678 50 0 GDAAMP C[N@H+]1CCCN(c2cnn(Cc3[nH+]ccn3Cc3ccccc3)c(=O)c2)CC1 ZINC000095518123 211264823 /nfs/dbraw/zinc/26/48/23/211264823.db2.gz CWCRASPGLHBHGI-UHFFFAOYSA-N 2 1 378.480 1.678 50 0 GDAAMP CNC(=O)C[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1 ZINC000095513105 211261690 /nfs/dbraw/zinc/26/16/90/211261690.db2.gz KMAFKBMQZFGVTC-UHFFFAOYSA-N 2 1 396.919 1.221 50 0 GDAAMP CN(C)[C@@H]1CC[N@H+](CCCN2CC3(CC[NH+](C4CCOCC4)CC3)OC2=O)C1 ZINC000072454595 211122195 /nfs/dbraw/zinc/12/21/95/211122195.db2.gz OBHGDILKQAFTIL-LJQANCHMSA-N 2 1 394.560 1.478 50 0 GDAAMP CN(C)[C@@H]1CC[N@@H+](CCCN2CC3(CC[NH+](C4CCOCC4)CC3)OC2=O)C1 ZINC000072454595 211122199 /nfs/dbraw/zinc/12/21/99/211122199.db2.gz OBHGDILKQAFTIL-LJQANCHMSA-N 2 1 394.560 1.478 50 0 GDAAMP [NH3+]C1CN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C4Cc5ccccc5C4)CC3)C2)C1 ZINC000071760764 211058137 /nfs/dbraw/zinc/05/81/37/211058137.db2.gz JHOXOLCIKSNORG-LJQANCHMSA-N 3 1 382.552 1.500 50 0 GDAAMP [NH3+]C1CN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C4Cc5ccccc5C4)CC3)C2)C1 ZINC000071760764 211058140 /nfs/dbraw/zinc/05/81/40/211058140.db2.gz JHOXOLCIKSNORG-LJQANCHMSA-N 2 1 382.552 1.500 50 0 GDAAMP [NH3+]C1CN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C4Cc5ccccc5C4)CC3)C2)C1 ZINC000071760764 211058143 /nfs/dbraw/zinc/05/81/43/211058143.db2.gz JHOXOLCIKSNORG-LJQANCHMSA-N 2 1 382.552 1.500 50 0 GDAAMP C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071759137 211058468 /nfs/dbraw/zinc/05/84/68/211058468.db2.gz HPYHZSBEEUWHPX-MRXNPFEDSA-N 2 1 385.512 1.844 50 0 GDAAMP CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+][C@H]4CCOC4)CC3)cc2)CC1 ZINC000012157656 570618665 /nfs/dbraw/zinc/61/86/65/570618665.db2.gz AEUHLSUCDFHQPC-FQEVSTJZSA-N 2 1 386.540 1.812 50 0 GDAAMP CCOC(=O)C[N@@H+]1CCC2(CC[NH+](Cc3cn(C)nc3C)CC2)[C@@H](CO)C1 ZINC000097155694 211360955 /nfs/dbraw/zinc/36/09/55/211360955.db2.gz NDUPISVFOCRJPK-GOSISDBHSA-N 2 1 378.517 1.188 50 0 GDAAMP CCOC(=O)C[N@H+]1CCC2(CC[NH+](Cc3cn(C)nc3C)CC2)[C@@H](CO)C1 ZINC000097155694 211360959 /nfs/dbraw/zinc/36/09/59/211360959.db2.gz NDUPISVFOCRJPK-GOSISDBHSA-N 2 1 378.517 1.188 50 0 GDAAMP C[N@H+]1CCN(Cc2cccc(OC[C@H](O)C[NH+]3CCC(O)CC3)c2)CC1(C)C ZINC000095506237 211256994 /nfs/dbraw/zinc/25/69/94/211256994.db2.gz WWPBCIMLLVKFDL-HXUWFJFHSA-N 2 1 391.556 1.409 50 0 GDAAMP CN1CC[N@H+](Cc2cccc(OC[C@H](O)C[NH+]3CCC(O)CC3)c2)CC1(C)C ZINC000095506237 211256997 /nfs/dbraw/zinc/25/69/97/211256997.db2.gz WWPBCIMLLVKFDL-HXUWFJFHSA-N 2 1 391.556 1.409 50 0 GDAAMP CN1CC[N@@H+](Cc2cccc(OC[C@H](O)C[NH+]3CCC(O)CC3)c2)CC1(C)C ZINC000095506237 211257000 /nfs/dbraw/zinc/25/70/00/211257000.db2.gz WWPBCIMLLVKFDL-HXUWFJFHSA-N 2 1 391.556 1.409 50 0 GDAAMP COCC[N@H+](C)C[C@@H]1CN(c2nc(N(C)C)[nH+]c3c2CCCC3)C[C@@H]1CO ZINC000092021553 211211656 /nfs/dbraw/zinc/21/16/56/211211656.db2.gz AOPJAQLJQYRKIR-HZPDHXFCSA-N 2 1 377.533 1.044 50 0 GDAAMP COCC[N@@H+](C)C[C@@H]1CN(c2nc(N(C)C)[nH+]c3c2CCCC3)C[C@@H]1CO ZINC000092021553 211211661 /nfs/dbraw/zinc/21/16/61/211211661.db2.gz AOPJAQLJQYRKIR-HZPDHXFCSA-N 2 1 377.533 1.044 50 0 GDAAMP CC(C)C[N@@H+](C)CCCN1CC2(CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)OC1=O ZINC000077406286 211131914 /nfs/dbraw/zinc/13/19/14/211131914.db2.gz BZOZPKFWMHCKLW-QGZVFWFLSA-N 2 1 380.533 1.530 50 0 GDAAMP CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)CCc2c(C)nc(=O)[nH]c2C)CC1 ZINC000072421754 211116731 /nfs/dbraw/zinc/11/67/31/211116731.db2.gz NNRHNBOWTFMISJ-MSOLQXFVSA-N 2 1 375.517 1.040 50 0 GDAAMP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071767676 211060839 /nfs/dbraw/zinc/06/08/39/211060839.db2.gz OMICTWWDSOBERS-FQEVSTJZSA-N 2 1 387.572 1.826 50 0 GDAAMP CC(C)C[N@H+]1C[C@@H](CN2CC[NH+](C)CC2)C[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000023353966 570355673 /nfs/dbraw/zinc/35/56/73/570355673.db2.gz YSVJCSFRFXGPFP-AQNXPRMDSA-N 2 1 380.577 1.123 50 0 GDAAMP C[C@@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000045966918 570650023 /nfs/dbraw/zinc/65/00/23/570650023.db2.gz AHMWAOBSCQXFGE-LJQANCHMSA-N 2 1 386.540 1.825 50 0 GDAAMP COc1ccc(C[NH2+]CCc2cnccn2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000014976028 210139595 /nfs/dbraw/zinc/13/95/95/210139595.db2.gz KBSVRAOHJLNRGO-IBGZPJMESA-N 2 1 388.512 1.897 50 0 GDAAMP COc1cc(CNC(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)cc(OC)c1OC ZINC000072469921 211122185 /nfs/dbraw/zinc/12/21/85/211122185.db2.gz YNPFILIHMFAAIS-HNNXBMFYSA-N 2 1 377.485 1.403 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)c4ccoc4)CC3)C2)CC1 ZINC000071754669 211059015 /nfs/dbraw/zinc/05/90/15/211059015.db2.gz HYCZNHNJGXFGME-QGZVFWFLSA-N 2 1 388.512 1.370 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)c4ccoc4)CC3)C2)CC1 ZINC000071754669 211059019 /nfs/dbraw/zinc/05/90/19/211059019.db2.gz HYCZNHNJGXFGME-QGZVFWFLSA-N 2 1 388.512 1.370 50 0 GDAAMP COc1[nH]c2cn(CCc3ccccn3)c(=O)c-2cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000071751545 211055000 /nfs/dbraw/zinc/05/50/00/211055000.db2.gz WKFQMQBCBHYUPQ-UHFFFAOYSA-N 2 1 395.507 1.868 50 0 GDAAMP COc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1OCC[NH3+] ZINC000426711246 231254608 /nfs/dbraw/zinc/25/46/08/231254608.db2.gz HMTRQQBMQWCHSC-SFHVURJKSA-N 2 1 384.480 1.822 50 0 GDAAMP COc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1OCC[NH3+] ZINC000426711246 231254611 /nfs/dbraw/zinc/25/46/11/231254611.db2.gz HMTRQQBMQWCHSC-SFHVURJKSA-N 2 1 384.480 1.822 50 0 GDAAMP CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC(Cn2cc(C[NH3+])nn2)CC1 ZINC000096879113 211349049 /nfs/dbraw/zinc/34/90/49/211349049.db2.gz LYZOPCVCCBBGCW-HXUWFJFHSA-N 2 1 382.512 1.422 50 0 GDAAMP CC(=O)N1CCC[N@@H+](Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000095529607 211276041 /nfs/dbraw/zinc/27/60/41/211276041.db2.gz RWCUTUPNNNXJHO-NRFANRHFSA-N 2 1 389.540 1.966 50 0 GDAAMP Cc1[nH+]c(N2CCCC2)nc(N2C[C@H](CO)[C@H](C[NH+]3CCC(O)CC3)C2)c1C ZINC000091586986 211197390 /nfs/dbraw/zinc/19/73/90/211197390.db2.gz FUNPNVGRPQYDCZ-QZTJIDSGSA-N 2 1 389.544 1.195 50 0 GDAAMP [NH3+]C1(C(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1 ZINC000072157331 211078808 /nfs/dbraw/zinc/07/88/08/211078808.db2.gz UFEULIZMBWTRHY-QGZVFWFLSA-N 2 1 386.496 1.015 50 0 GDAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCNC(=O)CC1 ZINC000071755514 211058855 /nfs/dbraw/zinc/05/88/55/211058855.db2.gz JNDKMMBRUBSXPZ-HXUWFJFHSA-N 2 1 398.551 1.712 50 0 GDAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCNC(=O)CC1 ZINC000071755514 211058857 /nfs/dbraw/zinc/05/88/57/211058857.db2.gz JNDKMMBRUBSXPZ-HXUWFJFHSA-N 2 1 398.551 1.712 50 0 GDAAMP C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071681446 211051721 /nfs/dbraw/zinc/05/17/21/211051721.db2.gz IIHVJPKRRBXPMH-FQEVSTJZSA-N 2 1 399.583 1.968 50 0 GDAAMP COc1ccc(F)c(CN2CCC[C@@](O)(C[NH+]3CCC([NH+](C)C)CC3)C2=O)c1 ZINC000067818610 211022911 /nfs/dbraw/zinc/02/29/11/211022911.db2.gz NSAFWUHBAPQEDN-OAQYLSRUSA-N 2 1 393.503 1.714 50 0 GDAAMP COc1cc(=O)n2c(c1C(=O)N1CC[NH+](C)CC1)CC[N@@H+](CCC(C)C)CC2 ZINC000012167270 570619368 /nfs/dbraw/zinc/61/93/68/570619368.db2.gz WWHAYJFDKLUBTQ-UHFFFAOYSA-N 2 1 390.528 1.149 50 0 GDAAMP COc1cc(=O)n2c(c1C(=O)N1CC[NH+](C)CC1)CC[N@H+](CCC(C)C)CC2 ZINC000012167270 570619372 /nfs/dbraw/zinc/61/93/72/570619372.db2.gz WWHAYJFDKLUBTQ-UHFFFAOYSA-N 2 1 390.528 1.149 50 0 GDAAMP Cn1c(Cn2ccnc2)nnc1[C@@H]1CCC[N@@H+](Cc2ccc(CC[NH3+])cc2)C1 ZINC000095522003 211267000 /nfs/dbraw/zinc/26/70/00/211267000.db2.gz QIHJUAIATSDMEV-LJQANCHMSA-N 2 1 379.512 1.941 50 0 GDAAMP COc1ccc(C[NH+]2CCC(O)(CO)CC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095517028 211264451 /nfs/dbraw/zinc/26/44/51/211264451.db2.gz TYGDITIDQDCJAF-GOSISDBHSA-N 2 1 396.528 1.094 50 0 GDAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(OC)c(C)c3C)C[C@@H]2CO)CC1 ZINC000091985716 211213034 /nfs/dbraw/zinc/21/30/34/211213034.db2.gz XIOMEWKGXXNZQI-NHCUHLMSSA-N 2 1 375.557 1.990 50 0 GDAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cc4c(c(OC)c3)OCO4)C[C@@H]2CO)CC1 ZINC000091426630 211192175 /nfs/dbraw/zinc/19/21/75/211192175.db2.gz ZYEJOJWFAVKYQB-QZTJIDSGSA-N 2 1 391.512 1.102 50 0 GDAAMP CC[NH+]1CCN(C2(C(=O)NCC[C@H]3CCCC[NH2+]3)Cc3ccccc3C2)CC1 ZINC000072151222 211078491 /nfs/dbraw/zinc/07/84/91/211078491.db2.gz GIVAMFZXLNLPNM-OAQYLSRUSA-N 2 1 384.568 1.810 50 0 GDAAMP C[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071738728 211054602 /nfs/dbraw/zinc/05/46/02/211054602.db2.gz LJKAYCARAQHZGO-NRFANRHFSA-N 2 1 399.583 1.922 50 0 GDAAMP C[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071738728 211054608 /nfs/dbraw/zinc/05/46/08/211054608.db2.gz LJKAYCARAQHZGO-NRFANRHFSA-N 2 1 399.583 1.922 50 0 GDAAMP C[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000071738728 211054612 /nfs/dbraw/zinc/05/46/12/211054612.db2.gz LJKAYCARAQHZGO-NRFANRHFSA-N 2 1 399.583 1.922 50 0 GDAAMP C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071747623 211053262 /nfs/dbraw/zinc/05/32/62/211053262.db2.gz YVNAMWDHUCCWAE-HXUWFJFHSA-N 2 1 387.572 1.826 50 0 GDAAMP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071721584 211052280 /nfs/dbraw/zinc/05/22/80/211052280.db2.gz ZNDXMRDFNJELOF-OAQYLSRUSA-N 2 1 399.583 1.874 50 0 GDAAMP CCc1cc(N2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)nc(N2CCCCC2)[nH+]1 ZINC000071753312 211055872 /nfs/dbraw/zinc/05/58/72/211055872.db2.gz IMOSAFWLDHBGDL-RTBURBONSA-N 2 1 389.544 1.426 50 0 GDAAMP CNC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071405836 211047604 /nfs/dbraw/zinc/04/76/04/211047604.db2.gz WDKFZJGFAYXAHS-KRWDZBQOSA-N 2 1 387.528 1.010 50 0 GDAAMP CNC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071405836 211047607 /nfs/dbraw/zinc/04/76/07/211047607.db2.gz WDKFZJGFAYXAHS-KRWDZBQOSA-N 2 1 387.528 1.010 50 0 GDAAMP [NH3+]CC1CCN(c2cnn(Cc3[nH+]ccn3Cc3ccccc3)c(=O)c2)CC1 ZINC000095372151 136178442 /nfs/dbraw/zinc/17/84/42/136178442.db2.gz YIVWWMQHSAJPRO-UHFFFAOYSA-N 2 1 378.480 1.712 50 0 GDAAMP COCCn1c(CN2CCC[N@H+](C3CCCC3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252552156 570730096 /nfs/dbraw/zinc/73/00/96/570730096.db2.gz UPZIHWPJMGQWOA-CALCHBBNSA-N 2 1 376.549 1.580 50 0 GDAAMP COc1ccc(C[NH+]2CCC(O)(CO)CC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095517027 211263794 /nfs/dbraw/zinc/26/37/94/211263794.db2.gz TYGDITIDQDCJAF-SFHVURJKSA-N 2 1 396.528 1.094 50 0 GDAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3OC(F)F)C[C@@H]2CO)CC1 ZINC000095361058 211224164 /nfs/dbraw/zinc/22/41/64/211224164.db2.gz CRPBQIOHWPXFEP-QZTJIDSGSA-N 2 1 383.483 1.966 50 0 GDAAMP Cn1cc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)c(-c2ccccc2)n1 ZINC000095387558 211233500 /nfs/dbraw/zinc/23/35/00/211233500.db2.gz KTIWNYUULUJHTK-TZIWHRDSSA-N 2 1 383.540 1.375 50 0 GDAAMP CCc1[nH+]ccn1CCC(=O)N1CC[C@@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091665439 211203738 /nfs/dbraw/zinc/20/37/38/211203738.db2.gz HDXDKYBSRZCLEY-HXUWFJFHSA-N 2 1 378.517 1.157 50 0 GDAAMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000077203767 211129064 /nfs/dbraw/zinc/12/90/64/211129064.db2.gz DFFHSZADUPRZFQ-KRWDZBQOSA-N 2 1 375.517 1.974 50 0 GDAAMP NC(=O)CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071575464 211049650 /nfs/dbraw/zinc/04/96/50/211049650.db2.gz BLSKCHBZUAJFLU-LJQANCHMSA-N 2 1 386.540 1.397 50 0 GDAAMP NC(=O)CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071575464 211049656 /nfs/dbraw/zinc/04/96/56/211049656.db2.gz BLSKCHBZUAJFLU-LJQANCHMSA-N 2 1 386.540 1.397 50 0 GDAAMP CNc1cc(C)[nH+]c(N2CCC([N@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)n1 ZINC000071589569 211048094 /nfs/dbraw/zinc/04/80/94/211048094.db2.gz PDXYFIJAWCBENM-INIZCTEOSA-N 2 1 390.532 1.270 50 0 GDAAMP CCN(CC)CC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000020540711 210345455 /nfs/dbraw/zinc/34/54/55/210345455.db2.gz BCCFHRRNGQELDK-IBGZPJMESA-N 2 1 381.586 1.907 50 0 GDAAMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283039897 570514051 /nfs/dbraw/zinc/51/40/51/570514051.db2.gz IHZZFWNIUOJNJK-AZUAARDMSA-N 2 1 384.524 1.387 50 0 GDAAMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000283039897 570514052 /nfs/dbraw/zinc/51/40/52/570514052.db2.gz IHZZFWNIUOJNJK-AZUAARDMSA-N 2 1 384.524 1.387 50 0 GDAAMP Cc1cccn2c(C[NH2+]CC[C@H]3CCC[N@H+]3C)c(C(=O)N3CCOCC3)nc12 ZINC000019225652 210233540 /nfs/dbraw/zinc/23/35/40/210233540.db2.gz VFNNBCXQIRFIDK-QGZVFWFLSA-N 2 1 385.512 1.689 50 0 GDAAMP Cc1cccn2c(C[NH2+]CC[C@H]3CCC[N@@H+]3C)c(C(=O)N3CCOCC3)nc12 ZINC000019225652 210233545 /nfs/dbraw/zinc/23/35/45/210233545.db2.gz VFNNBCXQIRFIDK-QGZVFWFLSA-N 2 1 385.512 1.689 50 0 GDAAMP COc1ccc(C[NH2+]CCc2cnccn2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000014976031 210139361 /nfs/dbraw/zinc/13/93/61/210139361.db2.gz KBSVRAOHJLNRGO-LJQANCHMSA-N 2 1 388.512 1.897 50 0 GDAAMP CC[N@H+]1CCc2c(C(=O)OC)c(OC[C@H]3CCC[NH+](C)C3)cc(=O)n2CC1 ZINC000299778131 212035729 /nfs/dbraw/zinc/03/57/29/212035729.db2.gz IJRAWMCSCLMUHF-HNNXBMFYSA-N 2 1 377.485 1.234 50 0 GDAAMP CC[N@@H+]1CCc2c(C(=O)OC)c(OC[C@H]3CCC[NH+](C)C3)cc(=O)n2CC1 ZINC000299778131 212035734 /nfs/dbraw/zinc/03/57/34/212035734.db2.gz IJRAWMCSCLMUHF-HNNXBMFYSA-N 2 1 377.485 1.234 50 0 GDAAMP CC[NH+]1CCc2c(C(=O)OC)c(OC[C@H]3CCC[N@H+](C)C3)cc(=O)n2CC1 ZINC000299778131 212035737 /nfs/dbraw/zinc/03/57/37/212035737.db2.gz IJRAWMCSCLMUHF-HNNXBMFYSA-N 2 1 377.485 1.234 50 0 GDAAMP CC[NH+]1CCc2c(C(=O)OC)c(OC[C@H]3CCC[N@@H+](C)C3)cc(=O)n2CC1 ZINC000299778131 212035742 /nfs/dbraw/zinc/03/57/42/212035742.db2.gz IJRAWMCSCLMUHF-HNNXBMFYSA-N 2 1 377.485 1.234 50 0 GDAAMP CNC(=O)C[N@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000096151920 211311168 /nfs/dbraw/zinc/31/11/68/211311168.db2.gz RHEPRTILQQQFLW-LJQANCHMSA-N 2 1 377.529 1.869 50 0 GDAAMP CNC(=O)C[N@@H+](C)Cc1cccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c1 ZINC000096151920 211311173 /nfs/dbraw/zinc/31/11/73/211311173.db2.gz RHEPRTILQQQFLW-LJQANCHMSA-N 2 1 377.529 1.869 50 0 GDAAMP CNC(=O)C[NH+](C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000096151920 211311177 /nfs/dbraw/zinc/31/11/77/211311177.db2.gz RHEPRTILQQQFLW-LJQANCHMSA-N 2 1 377.529 1.869 50 0 GDAAMP CNC(=O)C[NH+](C)Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000096151920 211311183 /nfs/dbraw/zinc/31/11/83/211311183.db2.gz RHEPRTILQQQFLW-LJQANCHMSA-N 2 1 377.529 1.869 50 0 GDAAMP C[NH+]1CCC(Oc2ccc(NC(=O)NC[C@@H]3COCC[N@@H+](C)C3)cc2)CC1 ZINC000096130972 211304044 /nfs/dbraw/zinc/30/40/44/211304044.db2.gz WBYUEZDECVHNHP-INIZCTEOSA-N 2 1 376.501 1.859 50 0 GDAAMP C[NH+](C)CCN1C[C@]2(CCC[N@@H+](Cc3cccc(OCCO)c3)C2)CCC1=O ZINC000091425067 211192081 /nfs/dbraw/zinc/19/20/81/211192081.db2.gz QXWYQAJFPCTOPN-JOCHJYFZSA-N 2 1 389.540 1.824 50 0 GDAAMP CC[N@H+]1CCC[C@H]1CNc1nc(-c2ccc(C(N)=O)cc2)nc2c1CC[NH2+]C2 ZINC000071751884 211056503 /nfs/dbraw/zinc/05/65/03/211056503.db2.gz YWYJZYAWSYWHNV-INIZCTEOSA-N 2 1 380.496 1.784 50 0 GDAAMP C[NH2+]C1CC[NH+](C[C@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 ZINC000067834326 211024871 /nfs/dbraw/zinc/02/48/71/211024871.db2.gz DSAAYTJKEFKHIQ-HXUWFJFHSA-N 2 1 379.476 1.372 50 0 GDAAMP CCc1cc(N2CCC([N@@H+]3CCCO[C@H](C)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000095499429 536144788 /nfs/dbraw/zinc/14/47/88/536144788.db2.gz GIYYKHVMFJVXFN-QGZVFWFLSA-N 2 1 389.544 1.955 50 0 GDAAMP CCc1cc(N2CCC([N@H+]3CCCO[C@H](C)C3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000095499429 536144789 /nfs/dbraw/zinc/14/47/89/536144789.db2.gz GIYYKHVMFJVXFN-QGZVFWFLSA-N 2 1 389.544 1.955 50 0 GDAAMP Cc1noc([C@H](C)N(C)C(=O)NCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000584903167 570270333 /nfs/dbraw/zinc/27/03/33/570270333.db2.gz LKLHLKPYUXSEFB-AWEZNQCLSA-N 2 1 378.521 1.887 50 0 GDAAMP CN(C)C(=O)[C@@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000248047264 570436117 /nfs/dbraw/zinc/43/61/17/570436117.db2.gz WRBCWBGTXBBKCX-PMACEKPBSA-N 2 1 386.540 1.792 50 0 GDAAMP CC(=O)NCC[NH2+]Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000014972798 210136049 /nfs/dbraw/zinc/13/60/49/210136049.db2.gz GPFUSHMFCXWTOK-HXUWFJFHSA-N 2 1 377.529 1.917 50 0 GDAAMP Cc1c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237596301 211475981 /nfs/dbraw/zinc/47/59/81/211475981.db2.gz KMHVXRRHVNZVPG-KBPBESRZSA-N 2 1 378.521 1.129 50 0 GDAAMP CC(C)[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071776395 211063065 /nfs/dbraw/zinc/06/30/65/211063065.db2.gz YMPMAWMIBCAKHZ-HXUWFJFHSA-N 2 1 376.520 1.790 50 0 GDAAMP CC(C)([NH3+])C(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000071745556 211053079 /nfs/dbraw/zinc/05/30/79/211053079.db2.gz ZOSIXEOVPBUOPO-INIZCTEOSA-N 2 1 387.528 1.138 50 0 GDAAMP Nc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000071750734 211055565 /nfs/dbraw/zinc/05/55/65/211055565.db2.gz REEJVGOLGDLNAB-KRWDZBQOSA-N 2 1 395.511 1.451 50 0 GDAAMP Nc1cc[nH+]c(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000071750734 211055569 /nfs/dbraw/zinc/05/55/69/211055569.db2.gz REEJVGOLGDLNAB-KRWDZBQOSA-N 2 1 395.511 1.451 50 0 GDAAMP C[NH+]1CCN([C@@H]2CC[N@@H+](C3CCN(c4ccccc4F)CC3)C[C@H]2O)CC1 ZINC000020293973 210326392 /nfs/dbraw/zinc/32/63/92/210326392.db2.gz KUCOGGSFPVAKSM-NHCUHLMSSA-N 2 1 376.520 1.477 50 0 GDAAMP C[NH+]1CCN([C@@H]2CC[N@H+](C3CCN(c4ccccc4F)CC3)C[C@H]2O)CC1 ZINC000020293973 210326398 /nfs/dbraw/zinc/32/63/98/210326398.db2.gz KUCOGGSFPVAKSM-NHCUHLMSSA-N 2 1 376.520 1.477 50 0 GDAAMP CCn1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(C)n1 ZINC000022917069 570335163 /nfs/dbraw/zinc/33/51/63/570335163.db2.gz DBTITNURGCOIIZ-NRFANRHFSA-N 2 1 377.577 1.953 50 0 GDAAMP CCn1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c(C)n1 ZINC000022917069 570335165 /nfs/dbraw/zinc/33/51/65/570335165.db2.gz DBTITNURGCOIIZ-NRFANRHFSA-N 2 1 377.577 1.953 50 0 GDAAMP CCn1nc(C)c(C[N@@H+]2C[C@@H](CN3CCC[NH+](C)CC3)C[C@H](CO)C2)c1C ZINC000091380830 211190999 /nfs/dbraw/zinc/19/09/99/211190999.db2.gz RZMLGUGRCSXKQH-UXHICEINSA-N 2 1 377.577 1.588 50 0 GDAAMP CCn1nc(C)c(C[NH+]2C[C@@H](CN3CCC[N@H+](C)CC3)C[C@H](CO)C2)c1C ZINC000091380830 211191001 /nfs/dbraw/zinc/19/10/01/211191001.db2.gz RZMLGUGRCSXKQH-UXHICEINSA-N 2 1 377.577 1.588 50 0 GDAAMP CCn1nc(C)c(C[NH+]2C[C@@H](CN3CCC[N@@H+](C)CC3)C[C@H](CO)C2)c1C ZINC000091380830 211191007 /nfs/dbraw/zinc/19/10/07/211191007.db2.gz RZMLGUGRCSXKQH-UXHICEINSA-N 2 1 377.577 1.588 50 0 GDAAMP COc1cc(CNC(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)cc(OC)c1OC ZINC000072469919 211123064 /nfs/dbraw/zinc/12/30/64/211123064.db2.gz YNPFILIHMFAAIS-OAHLLOKOSA-N 2 1 377.485 1.403 50 0 GDAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCCn3ccnc3)CC2)C1)N1CCOCC1 ZINC000071738634 211054238 /nfs/dbraw/zinc/05/42/38/211054238.db2.gz GPMVGMDTQWVGBK-LJQANCHMSA-N 2 1 389.544 1.308 50 0 GDAAMP CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071750565 211055814 /nfs/dbraw/zinc/05/58/14/211055814.db2.gz PLAKTPFCKGKUEF-FQEVSTJZSA-N 2 1 387.572 1.778 50 0 GDAAMP CC[C@@H]1CN(C(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)CC[NH2+]1 ZINC000067982453 211033594 /nfs/dbraw/zinc/03/35/94/211033594.db2.gz ZVSKCFINQTWNCL-LJQANCHMSA-N 2 1 397.523 1.816 50 0 GDAAMP Cn1ccnc1S[C@@H]1C[C@@H](C(=O)NCC[NH+](C)C)[N@H+](Cc2ccccc2)C1 ZINC000011785091 570582468 /nfs/dbraw/zinc/58/24/68/570582468.db2.gz QYCKBFDZXDWBFA-MSOLQXFVSA-N 2 1 387.553 1.833 50 0 GDAAMP Cn1ccnc1S[C@@H]1C[C@@H](C(=O)NCC[NH+](C)C)[N@@H+](Cc2ccccc2)C1 ZINC000011785091 570582470 /nfs/dbraw/zinc/58/24/70/570582470.db2.gz QYCKBFDZXDWBFA-MSOLQXFVSA-N 2 1 387.553 1.833 50 0 GDAAMP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]Cc2nccn2C)cc1OC ZINC000012444840 570665677 /nfs/dbraw/zinc/66/56/77/570665677.db2.gz PCMMURMGLIFWGL-QGZVFWFLSA-N 2 1 376.501 1.800 50 0 GDAAMP Cc1ccc(-c2cccc(C(=O)NCC[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(N)[nH+]1 ZINC000426723867 231255241 /nfs/dbraw/zinc/25/52/41/231255241.db2.gz KUFQHBSBOYNAGN-KRWDZBQOSA-N 2 1 381.480 1.566 50 0 GDAAMP Cc1ccc(-c2cccc(C(=O)NCC[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(N)[nH+]1 ZINC000426723867 231255245 /nfs/dbraw/zinc/25/52/45/231255245.db2.gz KUFQHBSBOYNAGN-KRWDZBQOSA-N 2 1 381.480 1.566 50 0 GDAAMP COc1cc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)cc(OC)c1 ZINC000091468656 211192199 /nfs/dbraw/zinc/19/21/99/211192199.db2.gz BHEXWVJPMMVOMN-RTBURBONSA-N 2 1 377.529 1.382 50 0 GDAAMP COc1cc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)cc(OC)c1 ZINC000091468656 211192194 /nfs/dbraw/zinc/19/21/94/211192194.db2.gz BHEXWVJPMMVOMN-RTBURBONSA-N 2 1 377.529 1.382 50 0 GDAAMP COc1cc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)cc(OC)c1 ZINC000091468656 211192198 /nfs/dbraw/zinc/19/21/98/211192198.db2.gz BHEXWVJPMMVOMN-RTBURBONSA-N 2 1 377.529 1.382 50 0 GDAAMP Cc1[nH+]ccn1CCCC(=O)N1CCC[C@@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000082098518 211160132 /nfs/dbraw/zinc/16/01/32/211160132.db2.gz ONTVETRQNIYPHV-OAQYLSRUSA-N 2 1 389.544 1.765 50 0 GDAAMP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071747624 211054420 /nfs/dbraw/zinc/05/44/20/211054420.db2.gz YVNAMWDHUCCWAE-FQEVSTJZSA-N 2 1 387.572 1.826 50 0 GDAAMP CCc1cc(N2CC[C@](O)(C[NH+]3CCCCC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000077407937 136172078 /nfs/dbraw/zinc/17/20/78/136172078.db2.gz BHZXABTXTRXTGV-FQEVSTJZSA-N 2 1 375.517 1.303 50 0 GDAAMP Cc1c(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237596270 570382387 /nfs/dbraw/zinc/38/23/87/570382387.db2.gz KMHVXRRHVNZVPG-OKILXGFUSA-N 2 1 378.521 1.129 50 0 GDAAMP Cc1c(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237596270 570382392 /nfs/dbraw/zinc/38/23/92/570382392.db2.gz KMHVXRRHVNZVPG-OKILXGFUSA-N 2 1 378.521 1.129 50 0 GDAAMP COCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+](Cc2ccccc2OC)C1 ZINC000012372961 570648098 /nfs/dbraw/zinc/64/80/98/570648098.db2.gz CBIBWOSQEKHZKX-GOSISDBHSA-N 2 1 377.529 1.944 50 0 GDAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CCNC(C)=O ZINC000011709800 221123271 /nfs/dbraw/zinc/12/32/71/221123271.db2.gz NXESSXPCIBUFKJ-HXUWFJFHSA-N 2 1 396.576 1.184 50 0 GDAAMP C[N@H+](CCO)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000019148908 221399482 /nfs/dbraw/zinc/39/94/82/221399482.db2.gz XQGNXDBPSLZJQW-UHFFFAOYSA-N 2 1 399.539 1.849 50 0 GDAAMP C[N@@H+](CCO)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000019148908 221399485 /nfs/dbraw/zinc/39/94/85/221399485.db2.gz XQGNXDBPSLZJQW-UHFFFAOYSA-N 2 1 399.539 1.849 50 0 GDAAMP CCc1cc(N2CC[C@@](O)(C[NH+]3CCCCC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000077407938 136172081 /nfs/dbraw/zinc/17/20/81/136172081.db2.gz BHZXABTXTRXTGV-HXUWFJFHSA-N 2 1 375.517 1.303 50 0 GDAAMP Cc1cc(N2CCN(C(=O)[C@@H](C)[N@H+]3CCc4ccccc4C3)CC2)nc(N)[nH+]1 ZINC000095382835 136178705 /nfs/dbraw/zinc/17/87/05/136178705.db2.gz FFNQOBFXAIKBDP-MRXNPFEDSA-N 2 1 380.496 1.463 50 0 GDAAMP CCCc1cc(N2CCC([NH2+][C@@H]3CC(=O)N(CCOC)C3)CC2)nc(C)[nH+]1 ZINC000096132629 136184098 /nfs/dbraw/zinc/18/40/98/136184098.db2.gz UYYVCBJCFZOLIX-GOSISDBHSA-N 2 1 375.517 1.543 50 0 GDAAMP CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)CCc1cc2n(n1)CCC[NH2+]C2 ZINC000072434846 222261720 /nfs/dbraw/zinc/26/17/20/222261720.db2.gz APFZIFIPVAQIJF-NRFANRHFSA-N 2 1 381.524 1.824 50 0 GDAAMP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+](C)CC(C)C)c1 ZINC000095518506 222343988 /nfs/dbraw/zinc/34/39/88/222343988.db2.gz UVQIUFMTSKWVDT-LJQANCHMSA-N 2 1 380.529 1.979 50 0 GDAAMP Cc1c(N)[nH+]cnc1NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299785277 570895537 /nfs/dbraw/zinc/89/55/37/570895537.db2.gz ZIMXZTJTFVRTIJ-KRWDZBQOSA-N 2 1 388.516 1.129 50 0 GDAAMP Cc1c(N)[nH+]cnc1NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1 ZINC000299785278 570895676 /nfs/dbraw/zinc/89/56/76/570895676.db2.gz ZIMXZTJTFVRTIJ-QGZVFWFLSA-N 2 1 388.516 1.129 50 0 GDAAMP C[N@H+]1CCCN(c2ccc(C[NH2+]Cc3cnc(N4CCCC4)nc3)cn2)CC1 ZINC000058416282 222052192 /nfs/dbraw/zinc/05/21/92/222052192.db2.gz LNMYOUJYXUTQLF-UHFFFAOYSA-N 2 1 381.528 1.904 50 0 GDAAMP C[NH2+]CCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071759138 222193955 /nfs/dbraw/zinc/19/39/55/222193955.db2.gz HPYHZSBEEUWHPX-INIZCTEOSA-N 2 1 385.512 1.844 50 0 GDAAMP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCNC(=O)C1 ZINC000071767923 222196036 /nfs/dbraw/zinc/19/60/36/222196036.db2.gz JHUKBBJLYKCENQ-HXUWFJFHSA-N 2 1 398.551 1.364 50 0 GDAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCNC(=O)C1 ZINC000071767923 222196040 /nfs/dbraw/zinc/19/60/40/222196040.db2.gz JHUKBBJLYKCENQ-HXUWFJFHSA-N 2 1 398.551 1.364 50 0 GDAAMP CNC(=O)C[NH+]1CCC(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095503390 222335626 /nfs/dbraw/zinc/33/56/26/222335626.db2.gz BYYLMKQFFSDPRU-FQEVSTJZSA-N 2 1 386.540 1.615 50 0 GDAAMP C[NH2+]CC(=O)N1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095513357 222342390 /nfs/dbraw/zinc/34/23/90/222342390.db2.gz ZDTKFQVLKXDOAY-HXUWFJFHSA-N 2 1 386.540 1.615 50 0 GDAAMP O=C(NCC[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082156674 222311288 /nfs/dbraw/zinc/31/12/88/222311288.db2.gz QUGRCJWDSLCCAQ-NRFANRHFSA-N 2 1 399.583 1.970 50 0 GDAAMP OC[C@H]1C[N@H+](C2CCOCC2)CCC12CC[NH+](CCCn1cccn1)CC2 ZINC000097553322 570246586 /nfs/dbraw/zinc/24/65/86/570246586.db2.gz SNWFUDQCAMQUEB-LJQANCHMSA-N 2 1 376.545 1.849 50 0 GDAAMP CC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1Cc3ccccc3C[NH2+]1)CC2 ZINC000091596123 571017402 /nfs/dbraw/zinc/01/74/02/571017402.db2.gz YXJCCKDTSYDPDU-LJQANCHMSA-N 2 1 379.508 1.820 50 0 GDAAMP Cc1[nH+]ccn1[C@@H](C)C(=O)N1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000091724872 571027766 /nfs/dbraw/zinc/02/77/66/571027766.db2.gz YTJJGTJXRDQWHA-INIZCTEOSA-N 2 1 375.517 1.545 50 0 GDAAMP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000221329978 222604150 /nfs/dbraw/zinc/60/41/50/222604150.db2.gz FESHFAUTNSDYNA-FQEVSTJZSA-N 2 1 381.480 1.726 50 0 GDAAMP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000221329978 222604154 /nfs/dbraw/zinc/60/41/54/222604154.db2.gz FESHFAUTNSDYNA-FQEVSTJZSA-N 2 1 381.480 1.726 50 0 GDAAMP C[N@@H+](Cc1cccnc1)Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000011937880 221138404 /nfs/dbraw/zinc/13/84/04/221138404.db2.gz MTXIXASYYKKCLW-NRFANRHFSA-N 2 1 385.508 1.910 50 0 GDAAMP CC[N@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)Cn1cccn1 ZINC000012030485 221143725 /nfs/dbraw/zinc/14/37/25/221143725.db2.gz CAOUOTKSFUNTGE-FQEVSTJZSA-N 2 1 391.560 1.554 50 0 GDAAMP CC[N@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1 ZINC000015864137 221349895 /nfs/dbraw/zinc/34/98/95/221349895.db2.gz SCNAJTUJHSSFIL-SFHVURJKSA-N 2 1 376.476 1.184 50 0 GDAAMP CNc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071681257 136165803 /nfs/dbraw/zinc/16/58/03/136165803.db2.gz QBSJWWHLNRZQOQ-MRXNPFEDSA-N 2 1 388.516 1.058 50 0 GDAAMP CNc1cc[nH+]c(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071681257 136165804 /nfs/dbraw/zinc/16/58/04/136165804.db2.gz QBSJWWHLNRZQOQ-MRXNPFEDSA-N 2 1 388.516 1.058 50 0 GDAAMP CCc1cc(N2CCC([N@H+]3C[C@H](O)[C@@H](OC(C)C)C3)CC2)nc(N(C)C)[nH+]1 ZINC000095502398 136179900 /nfs/dbraw/zinc/17/99/00/136179900.db2.gz WHDWXKNUJUUIDD-ROUUACIJSA-N 2 1 377.533 1.544 50 0 GDAAMP CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071750564 222189442 /nfs/dbraw/zinc/18/94/42/222189442.db2.gz PLAKTPFCKGKUEF-HXUWFJFHSA-N 2 1 387.572 1.778 50 0 GDAAMP O=C(NC1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071712182 222187171 /nfs/dbraw/zinc/18/71/71/222187171.db2.gz KRJSIDYZWMMAJL-LJQANCHMSA-N 2 1 385.556 1.626 50 0 GDAAMP O=C(NCC1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071721583 222188206 /nfs/dbraw/zinc/18/82/06/222188206.db2.gz ZNDXMRDFNJELOF-NRFANRHFSA-N 2 1 399.583 1.874 50 0 GDAAMP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@@H+]2CCNC(=O)CC2)ccc1OC ZINC000095508682 222341029 /nfs/dbraw/zinc/34/10/29/222341029.db2.gz YEVLINGDCGETIX-QGZVFWFLSA-N 2 1 379.501 1.099 50 0 GDAAMP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+]2CCNC(=O)CC2)ccc1OC ZINC000095508682 222341032 /nfs/dbraw/zinc/34/10/32/222341032.db2.gz YEVLINGDCGETIX-QGZVFWFLSA-N 2 1 379.501 1.099 50 0 GDAAMP CN1CCC([N@@H+]2CCN(Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)CC1 ZINC000104334644 570257485 /nfs/dbraw/zinc/25/74/85/570257485.db2.gz HFGCLNUPSJXXHJ-LJQANCHMSA-N 2 1 375.513 1.421 50 0 GDAAMP CN1CCC([N@H+]2CCN(Cc3ccc4c(c3)OCCO4)C[C@H]2CCO)CC1 ZINC000104334644 570257487 /nfs/dbraw/zinc/25/74/87/570257487.db2.gz HFGCLNUPSJXXHJ-LJQANCHMSA-N 2 1 375.513 1.421 50 0 GDAAMP C[N@@H+](Cc1ccccc1)C1CCN(C(=O)NCC[NH+]2CCC[C@@H](CO)C2)CC1 ZINC000426477138 529998591 /nfs/dbraw/zinc/99/85/91/529998591.db2.gz ALRMOTYALVXULW-HXUWFJFHSA-N 2 1 388.556 1.997 50 0 GDAAMP C[NH+](Cc1ccccc1)C1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000426477138 529998593 /nfs/dbraw/zinc/99/85/93/529998593.db2.gz ALRMOTYALVXULW-HXUWFJFHSA-N 2 1 388.556 1.997 50 0 GDAAMP C[NH+](Cc1ccccc1)C1CCN(C(=O)NCC[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000426477138 529998595 /nfs/dbraw/zinc/99/85/95/529998595.db2.gz ALRMOTYALVXULW-HXUWFJFHSA-N 2 1 388.556 1.997 50 0 GDAAMP COCC[NH+]1CCC(C[N@@H+](C[C@H]2CCCO2)C2CCN(C(C)=O)CC2)CC1 ZINC000012314981 221180024 /nfs/dbraw/zinc/18/00/24/221180024.db2.gz XMVZJBRIUJBSKJ-OAQYLSRUSA-N 2 1 381.561 1.837 50 0 GDAAMP C[N@H+]1CCC[C@@H](Nc2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)C1 ZINC000067934856 222168632 /nfs/dbraw/zinc/16/86/32/222168632.db2.gz LQIPKGZYEDBKEF-GOSISDBHSA-N 2 1 387.528 1.525 50 0 GDAAMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1 ZINC000069428202 222173075 /nfs/dbraw/zinc/17/30/75/222173075.db2.gz LHDPZBGXUDXAJR-MRXNPFEDSA-N 2 1 378.565 1.931 50 0 GDAAMP CCc1oc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)NC2CC2)cc1C[NH+](CC)CC ZINC000072122250 222209385 /nfs/dbraw/zinc/20/93/85/222209385.db2.gz SEMRNDQZLAMUIQ-MRXNPFEDSA-N 2 1 376.501 1.376 50 0 GDAAMP Cc1ccc[nH+]c1NCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000072157729 222211944 /nfs/dbraw/zinc/21/19/44/222211944.db2.gz PYRHXXQJSZPNBS-SFHVURJKSA-N 2 1 387.528 1.689 50 0 GDAAMP Cc1ccc[nH+]c1NCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000072157729 222211948 /nfs/dbraw/zinc/21/19/48/222211948.db2.gz PYRHXXQJSZPNBS-SFHVURJKSA-N 2 1 387.528 1.689 50 0 GDAAMP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC([NH+]4CCC(O)CC4)CC3)o2)CC1 ZINC000072151218 222213384 /nfs/dbraw/zinc/21/33/84/222213384.db2.gz JSMDNVFPSCCAPU-UHFFFAOYSA-N 2 1 390.528 1.088 50 0 GDAAMP Cc1cc[nH+]c(NCCNC(=O)C[C@H]2C(=O)NCC[N@@H+]2CC2CCCCC2)c1 ZINC000072152615 222213565 /nfs/dbraw/zinc/21/35/65/222213565.db2.gz QYTZVXOYJNLJLX-SFHVURJKSA-N 2 1 387.528 1.689 50 0 GDAAMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000072305746 222221708 /nfs/dbraw/zinc/22/17/08/222221708.db2.gz CABBAHVJRDYWPP-INIZCTEOSA-N 2 1 390.528 1.935 50 0 GDAAMP O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000072468633 222262389 /nfs/dbraw/zinc/26/23/89/222262389.db2.gz GEMVIALNJLCTLH-SFTDATJTSA-N 2 1 379.508 1.794 50 0 GDAAMP CC[NH+](CC)C[C@H](O)COc1cc(C[N@@H+]2CCNC(=O)CC2)ccc1OC ZINC000095508681 222340290 /nfs/dbraw/zinc/34/02/90/222340290.db2.gz YEVLINGDCGETIX-KRWDZBQOSA-N 2 1 379.501 1.099 50 0 GDAAMP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+]2CCNC(=O)CC2)ccc1OC ZINC000095508681 222340294 /nfs/dbraw/zinc/34/02/94/222340294.db2.gz YEVLINGDCGETIX-KRWDZBQOSA-N 2 1 379.501 1.099 50 0 GDAAMP CCCc1noc(CN(C)C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000096164716 222394486 /nfs/dbraw/zinc/39/44/86/222394486.db2.gz PMUVGRIEQYWONJ-DYESRHJHSA-N 2 1 383.496 1.702 50 0 GDAAMP CCCC[N@H+]1CCn2nc(CNC(=O)CC[NH+]3C[C@@H](C)O[C@@H](C)C3)cc2C1 ZINC000299789461 570895945 /nfs/dbraw/zinc/89/59/45/570895945.db2.gz VOUSVKLAQNBOBU-CALCHBBNSA-N 2 1 377.533 1.614 50 0 GDAAMP CCCC[NH+]1CCn2nc(CNC(=O)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2C1 ZINC000299789461 570895948 /nfs/dbraw/zinc/89/59/48/570895948.db2.gz VOUSVKLAQNBOBU-CALCHBBNSA-N 2 1 377.533 1.614 50 0 GDAAMP CCCC[NH+]1CCn2nc(CNC(=O)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2C1 ZINC000299789461 570895952 /nfs/dbraw/zinc/89/59/52/570895952.db2.gz VOUSVKLAQNBOBU-CALCHBBNSA-N 2 1 377.533 1.614 50 0 GDAAMP O=C1CO[C@@H](CNc2[nH+]cnc3[nH]ccc32)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299797819 222790895 /nfs/dbraw/zinc/79/08/95/222790895.db2.gz QLMLNUWZKDCMOY-KRWDZBQOSA-N 2 1 398.511 1.719 50 0 GDAAMP Cc1cc(C)cc(N2CCC([NH+]3C[C@H](CO)[C@H](C[N@@H+](C)CCO)C3)CC2)c1 ZINC000091380783 136176246 /nfs/dbraw/zinc/17/62/46/136176246.db2.gz DXHPMOAVGCMNFA-WOJBJXKFSA-N 2 1 375.557 1.737 50 0 GDAAMP Cc1cc(C)cc(N2CCC([N@H+]3C[C@H](CO)[C@H](C[NH+](C)CCO)C3)CC2)c1 ZINC000091380783 136176247 /nfs/dbraw/zinc/17/62/47/136176247.db2.gz DXHPMOAVGCMNFA-WOJBJXKFSA-N 2 1 375.557 1.737 50 0 GDAAMP Cc1cc(C)cc(N2CCC([N@@H+]3C[C@H](CO)[C@H](C[NH+](C)CCO)C3)CC2)c1 ZINC000091380783 136176248 /nfs/dbraw/zinc/17/62/48/136176248.db2.gz DXHPMOAVGCMNFA-WOJBJXKFSA-N 2 1 375.557 1.737 50 0 GDAAMP O=C(NC1CC[NH+](Cc2cc(F)cc(F)c2)CC1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072123876 222209345 /nfs/dbraw/zinc/20/93/45/222209345.db2.gz SDTNLLCDFYSORU-IBGZPJMESA-N 3 1 392.494 1.777 50 0 GDAAMP C[N@@H+](CCC(N)=O)Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095516550 222344594 /nfs/dbraw/zinc/34/45/94/222344594.db2.gz VKWZDPDBLISQCR-OAQYLSRUSA-N 2 1 397.519 1.792 50 0 GDAAMP C[NH+](CCC(N)=O)Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000095516550 222344597 /nfs/dbraw/zinc/34/45/97/222344597.db2.gz VKWZDPDBLISQCR-OAQYLSRUSA-N 2 1 397.519 1.792 50 0 GDAAMP C[NH+](CCC(N)=O)Cc1cccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000095516550 222344599 /nfs/dbraw/zinc/34/45/99/222344599.db2.gz VKWZDPDBLISQCR-OAQYLSRUSA-N 2 1 397.519 1.792 50 0 GDAAMP C[N@@H+](CCC(N)=O)Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095516551 222344669 /nfs/dbraw/zinc/34/46/69/222344669.db2.gz VKWZDPDBLISQCR-NRFANRHFSA-N 2 1 397.519 1.792 50 0 GDAAMP C[NH+](CCC(N)=O)Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000095516551 222344672 /nfs/dbraw/zinc/34/46/72/222344672.db2.gz VKWZDPDBLISQCR-NRFANRHFSA-N 2 1 397.519 1.792 50 0 GDAAMP C[NH+](CCC(N)=O)Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000095516551 222344674 /nfs/dbraw/zinc/34/46/74/222344674.db2.gz VKWZDPDBLISQCR-NRFANRHFSA-N 2 1 397.519 1.792 50 0 GDAAMP C[C@@H]1C[N@@H+](C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)o3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091849017 571033185 /nfs/dbraw/zinc/03/31/85/571033185.db2.gz ZPLIXRWKFVOMLO-YYIAUSFCSA-N 2 1 379.501 1.131 50 0 GDAAMP C[C@@H]1C[N@H+](C[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)o3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091849017 571033187 /nfs/dbraw/zinc/03/31/87/571033187.db2.gz ZPLIXRWKFVOMLO-YYIAUSFCSA-N 2 1 379.501 1.131 50 0 GDAAMP CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)[C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000012432340 221193113 /nfs/dbraw/zinc/19/31/13/221193113.db2.gz HCKNVMPLCOVZDQ-IBGZPJMESA-N 2 1 378.561 1.511 50 0 GDAAMP CC[NH+]1CCN(C(=O)CCC2CCN(C(=O)[C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000012432340 221193116 /nfs/dbraw/zinc/19/31/16/221193116.db2.gz HCKNVMPLCOVZDQ-IBGZPJMESA-N 2 1 378.561 1.511 50 0 GDAAMP Cc1ccnc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)n1 ZINC000071754288 222192003 /nfs/dbraw/zinc/19/20/03/222192003.db2.gz ZTZYRJBHPSWZJB-GOSISDBHSA-N 2 1 386.544 1.240 50 0 GDAAMP Cc1ccnc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)n1 ZINC000071754288 222192006 /nfs/dbraw/zinc/19/20/06/222192006.db2.gz ZTZYRJBHPSWZJB-GOSISDBHSA-N 2 1 386.544 1.240 50 0 GDAAMP O=C(NC1CC[NH+](Cc2cc(F)cc(F)c2)CC1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072123877 222208397 /nfs/dbraw/zinc/20/83/97/222208397.db2.gz SDTNLLCDFYSORU-LJQANCHMSA-N 3 1 392.494 1.777 50 0 GDAAMP C[NH+](C)CCN(C[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1nc[nH]n1 ZINC000095521672 222346896 /nfs/dbraw/zinc/34/68/96/222346896.db2.gz QTPXRXOAYAOMCO-INIZCTEOSA-N 2 1 388.491 1.860 50 0 GDAAMP CCCC[N@@H+](C)Cc1ccc(OC)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000019741651 570212578 /nfs/dbraw/zinc/21/25/78/570212578.db2.gz XMZYFCNQJAIIOX-LJQANCHMSA-N 2 1 379.545 1.914 50 0 GDAAMP CCCC[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000019741651 570212589 /nfs/dbraw/zinc/21/25/89/570212589.db2.gz XMZYFCNQJAIIOX-LJQANCHMSA-N 2 1 379.545 1.914 50 0 GDAAMP CCCC[N@@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCN(C)CC2)c1 ZINC000019741651 570212593 /nfs/dbraw/zinc/21/25/93/570212593.db2.gz XMZYFCNQJAIIOX-LJQANCHMSA-N 2 1 379.545 1.914 50 0 GDAAMP O[C@@H]1C[N@@H+](CCCn2cccn2)CC[C@H]1N1CC[NH+](CCc2ccccc2)CC1 ZINC000020363139 570253050 /nfs/dbraw/zinc/25/30/50/570253050.db2.gz CZNPBLPMFRKNAL-DHIUTWEWSA-N 2 1 397.567 1.569 50 0 GDAAMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C[NH2+]C[C@@H]2CCCO2)C[C@H](C)O1 ZINC000237618040 570383844 /nfs/dbraw/zinc/38/38/44/570383844.db2.gz OSYURPPIDPENJC-QKLQHJQFSA-N 2 1 375.513 1.681 50 0 GDAAMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C[NH2+]C[C@@H]2CCCO2)C[C@H](C)O1 ZINC000237618040 570383846 /nfs/dbraw/zinc/38/38/46/570383846.db2.gz OSYURPPIDPENJC-QKLQHJQFSA-N 2 1 375.513 1.681 50 0 GDAAMP COc1ccc(C[N@@H+](C)CC(C)C)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000019534936 570999901 /nfs/dbraw/zinc/99/99/01/570999901.db2.gz GFDLEUSEOVTFCN-IBGZPJMESA-N 2 1 379.545 1.770 50 0 GDAAMP COc1ccc(C[N@H+](C)CC(C)C)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000019534936 570999906 /nfs/dbraw/zinc/99/99/06/570999906.db2.gz GFDLEUSEOVTFCN-IBGZPJMESA-N 2 1 379.545 1.770 50 0 GDAAMP COc1ccc(C[N@@H+](C)CC(C)C)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000019534936 570999907 /nfs/dbraw/zinc/99/99/07/570999907.db2.gz GFDLEUSEOVTFCN-IBGZPJMESA-N 2 1 379.545 1.770 50 0 GDAAMP COCC[N@H+](C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095353237 571050506 /nfs/dbraw/zinc/05/05/06/571050506.db2.gz YJNHDNGBKSERDZ-CEWLAPEOSA-N 2 1 375.488 1.793 50 0 GDAAMP COCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095353237 571050509 /nfs/dbraw/zinc/05/05/09/571050509.db2.gz YJNHDNGBKSERDZ-CEWLAPEOSA-N 2 1 375.488 1.793 50 0 GDAAMP CNc1cc[nH+]c(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071681255 136165821 /nfs/dbraw/zinc/16/58/21/136165821.db2.gz QBSJWWHLNRZQOQ-INIZCTEOSA-N 2 1 388.516 1.058 50 0 GDAAMP CNc1cc[nH+]c(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1 ZINC000071681255 136165822 /nfs/dbraw/zinc/16/58/22/136165822.db2.gz QBSJWWHLNRZQOQ-INIZCTEOSA-N 2 1 388.516 1.058 50 0 GDAAMP O=C([C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1)N1CC[NH2+]CC1 ZINC000071748205 222190336 /nfs/dbraw/zinc/19/03/36/222190336.db2.gz RRZGFTSEKXWXCO-QGZVFWFLSA-N 2 1 397.523 1.940 50 0 GDAAMP CCOC(=O)C[N@@H+]1CCC2(CC[NH+](Cc3cn(C)nc3C)CC2)[C@H](CO)C1 ZINC000097155692 570237794 /nfs/dbraw/zinc/23/77/94/570237794.db2.gz NDUPISVFOCRJPK-SFHVURJKSA-N 2 1 378.517 1.188 50 0 GDAAMP CCOC(=O)C[N@H+]1CCC2(CC[NH+](Cc3cn(C)nc3C)CC2)[C@H](CO)C1 ZINC000097155692 570237797 /nfs/dbraw/zinc/23/77/97/570237797.db2.gz NDUPISVFOCRJPK-SFHVURJKSA-N 2 1 378.517 1.188 50 0 GDAAMP CC(C)C[N@H+]1C[C@@H](CN2CC[NH+](C)CC2)C[C@@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000023353968 570356449 /nfs/dbraw/zinc/35/64/49/570356449.db2.gz YSVJCSFRFXGPFP-VAMGGRTRSA-N 2 1 380.577 1.123 50 0 GDAAMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C[NH2+]C[C@H]2CCCO2)C[C@H](C)O1 ZINC000237618074 570427197 /nfs/dbraw/zinc/42/71/97/570427197.db2.gz OSYURPPIDPENJC-FUHIMQAGSA-N 2 1 375.513 1.681 50 0 GDAAMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C[NH2+]C[C@H]2CCCO2)C[C@H](C)O1 ZINC000237618074 570427199 /nfs/dbraw/zinc/42/71/99/570427199.db2.gz OSYURPPIDPENJC-FUHIMQAGSA-N 2 1 375.513 1.681 50 0 GDAAMP Cc1cc2c(cc1C[N@H+]1C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C1)OCCO2 ZINC000095382839 571068732 /nfs/dbraw/zinc/06/87/32/571068732.db2.gz CTLHPHFELGBGEP-RTBURBONSA-N 2 1 375.513 1.054 50 0 GDAAMP CCn1c(=O)n(CC[NH+]2CCN(c3ccccc3)CC2)nc1C1CC[NH2+]CC1 ZINC000065530693 136164197 /nfs/dbraw/zinc/16/41/97/136164197.db2.gz WQOZRZNVNQXWLT-UHFFFAOYSA-N 2 1 384.528 1.354 50 0 GDAAMP CCn1c(=O)n(CC[NH+]2CCN(c3ccccc3)CC2)nc1[C@H]1CCC[NH2+]C1 ZINC000067757109 136164990 /nfs/dbraw/zinc/16/49/90/136164990.db2.gz IJEMPGHGBKIDNW-SFHVURJKSA-N 2 1 384.528 1.354 50 0 GDAAMP [NH3+]C1(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)CCC1 ZINC000071751901 222192774 /nfs/dbraw/zinc/19/27/74/222192774.db2.gz WWVSYKZKXKGCOJ-KRWDZBQOSA-N 2 1 399.539 1.282 50 0 GDAAMP C[N@H+]1CC2(C[C@@H]1C(=O)NCCNC(=O)c1ccccc1Cl)CC[NH2+]CC2 ZINC000072462622 222263859 /nfs/dbraw/zinc/26/38/59/222263859.db2.gz LWYMPDQBBLHXOR-MRXNPFEDSA-N 2 1 378.904 1.260 50 0 GDAAMP COCC[NH+]1CCC(C(=O)NCc2cc3n(n2)CC[N@@H+](CC(C)C)C3)CC1 ZINC000082107362 222308235 /nfs/dbraw/zinc/30/82/35/222308235.db2.gz JCZWUUHGOXOAQO-UHFFFAOYSA-N 2 1 377.533 1.329 50 0 GDAAMP C[NH+](C)CCCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082108204 222308732 /nfs/dbraw/zinc/30/87/32/222308732.db2.gz RNIFYEXDHJSFQV-GOSISDBHSA-N 2 1 378.561 1.654 50 0 GDAAMP CC(=O)N1CCC[N@@H+](Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000095529606 222352487 /nfs/dbraw/zinc/35/24/87/222352487.db2.gz RWCUTUPNNNXJHO-OAQYLSRUSA-N 2 1 389.540 1.966 50 0 GDAAMP CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC(Cn2cc(C[NH3+])nn2)CC1 ZINC000096879114 570232935 /nfs/dbraw/zinc/23/29/35/570232935.db2.gz LYZOPCVCCBBGCW-FQEVSTJZSA-N 2 1 382.512 1.422 50 0 GDAAMP C[C@H]1CCCC[N@H+]1CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000045966920 570649946 /nfs/dbraw/zinc/64/99/46/570649946.db2.gz AHMWAOBSCQXFGE-IBGZPJMESA-N 2 1 386.540 1.825 50 0 GDAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]2CO)CC1 ZINC000091434248 571007603 /nfs/dbraw/zinc/00/76/03/571007603.db2.gz XDJPQDQRIXQQPX-FGZHOGPDSA-N 2 1 395.551 1.821 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]2CO)CC1 ZINC000091434248 571007607 /nfs/dbraw/zinc/00/76/07/571007607.db2.gz XDJPQDQRIXQQPX-FGZHOGPDSA-N 2 1 395.551 1.821 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]2CO)CC1 ZINC000091434248 571007611 /nfs/dbraw/zinc/00/76/11/571007611.db2.gz XDJPQDQRIXQQPX-FGZHOGPDSA-N 2 1 395.551 1.821 50 0 GDAAMP Cc1ccc(-c2cccc(C(=O)NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(N)[nH+]1 ZINC000426723868 231255150 /nfs/dbraw/zinc/25/51/50/231255150.db2.gz KUFQHBSBOYNAGN-QGZVFWFLSA-N 2 1 381.480 1.566 50 0 GDAAMP Cc1ccc(-c2cccc(C(=O)NCC[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(N)[nH+]1 ZINC000426723868 231255154 /nfs/dbraw/zinc/25/51/54/231255154.db2.gz KUFQHBSBOYNAGN-QGZVFWFLSA-N 2 1 381.480 1.566 50 0 GDAAMP CNc1nc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)cc(C)[nH+]1 ZINC000071755417 136166255 /nfs/dbraw/zinc/16/62/55/136166255.db2.gz YPTRMQLVYWKGDE-MRXNPFEDSA-N 2 1 390.532 1.270 50 0 GDAAMP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1 ZINC000071767575 136166572 /nfs/dbraw/zinc/16/65/72/136166572.db2.gz JVMIAILBJXBKAF-OAHLLOKOSA-N 2 1 386.500 1.401 50 0 GDAAMP COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)C1 ZINC000071767575 136166573 /nfs/dbraw/zinc/16/65/73/136166573.db2.gz JVMIAILBJXBKAF-OAHLLOKOSA-N 2 1 386.500 1.401 50 0 GDAAMP Cc1cc(N2CCC([N@H+](C)Cc3nc4ccccc4c(=O)[nH]3)CC2)nc(N)[nH+]1 ZINC000095358681 136178117 /nfs/dbraw/zinc/17/81/17/136178117.db2.gz OCKPSTVKZWIEBY-UHFFFAOYSA-N 2 1 379.468 1.705 50 0 GDAAMP Cc1cc(N2CCC([N@@H+](C)Cc3nc4ccccc4c(=O)[nH]3)CC2)nc(N)[nH+]1 ZINC000095358681 136178118 /nfs/dbraw/zinc/17/81/18/136178118.db2.gz OCKPSTVKZWIEBY-UHFFFAOYSA-N 2 1 379.468 1.705 50 0 GDAAMP [NH3+]C1(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)CC1 ZINC000071439521 222186237 /nfs/dbraw/zinc/18/62/37/222186237.db2.gz GGNKRMRJJXKTFF-IBGZPJMESA-N 2 1 398.551 1.540 50 0 GDAAMP O=C([C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071707872 222187265 /nfs/dbraw/zinc/18/72/65/222187265.db2.gz JVSGMXRMWGINDR-HXUWFJFHSA-N 2 1 385.556 1.580 50 0 GDAAMP CC(C)([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000072121797 222207128 /nfs/dbraw/zinc/20/71/28/222207128.db2.gz BVEVDEMGBIDGBC-QGZVFWFLSA-N 2 1 388.512 1.261 50 0 GDAAMP CCc1oc(C(=O)N2CC[NH2+]C[C@H]2C(=O)NC2CC2)cc1C[NH+](CC)CC ZINC000072122251 222208978 /nfs/dbraw/zinc/20/89/78/222208978.db2.gz SEMRNDQZLAMUIQ-INIZCTEOSA-N 2 1 376.501 1.376 50 0 GDAAMP CCc1nc(C)c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)[nH]1 ZINC000072128810 222209167 /nfs/dbraw/zinc/20/91/67/222209167.db2.gz XLMVYGZBKFZFRT-OALUTQOASA-N 2 1 396.539 1.591 50 0 GDAAMP O=C(C1CC[NH+](Cc2ccco2)CC1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072151707 222212674 /nfs/dbraw/zinc/21/26/74/222212674.db2.gz KCULEMRXXURNCJ-IBGZPJMESA-N 2 1 375.513 1.939 50 0 GDAAMP Cc1ccc[nH+]c1NCCNC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000072157726 222213634 /nfs/dbraw/zinc/21/36/34/222213634.db2.gz PYRHXXQJSZPNBS-GOSISDBHSA-N 2 1 387.528 1.689 50 0 GDAAMP Cc1ccc[nH+]c1NCCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000072157726 222213639 /nfs/dbraw/zinc/21/36/39/222213639.db2.gz PYRHXXQJSZPNBS-GOSISDBHSA-N 2 1 387.528 1.689 50 0 GDAAMP COc1cc(C[N@@H+]2CCNC(=O)CC2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095506236 222337859 /nfs/dbraw/zinc/33/78/59/222337859.db2.gz HRNXBUBKWZALEA-QGZVFWFLSA-N 2 1 379.501 1.097 50 0 GDAAMP COc1cc(C[N@H+]2CCNC(=O)CC2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095506236 222337861 /nfs/dbraw/zinc/33/78/61/222337861.db2.gz HRNXBUBKWZALEA-QGZVFWFLSA-N 2 1 379.501 1.097 50 0 GDAAMP COc1cc(C[NH+]2CCNC(=O)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095506236 222337863 /nfs/dbraw/zinc/33/78/63/222337863.db2.gz HRNXBUBKWZALEA-QGZVFWFLSA-N 2 1 379.501 1.097 50 0 GDAAMP COc1cc(C[NH+]2CCNC(=O)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095506236 222337866 /nfs/dbraw/zinc/33/78/66/222337866.db2.gz HRNXBUBKWZALEA-QGZVFWFLSA-N 2 1 379.501 1.097 50 0 GDAAMP COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000095526540 222349978 /nfs/dbraw/zinc/34/99/78/222349978.db2.gz TZHNLBOYDLPIIM-UHFFFAOYSA-N 2 1 391.512 1.667 50 0 GDAAMP COC(=O)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020203376 570247334 /nfs/dbraw/zinc/24/73/34/570247334.db2.gz KQGSPFPGHNRPSI-LJQANCHMSA-N 2 1 399.535 1.619 50 0 GDAAMP C[N@H+]1CCN(Cc2cccc(OC[C@@H](O)C[NH+]3CCC(O)CC3)c2)CC1(C)C ZINC000108261312 570312134 /nfs/dbraw/zinc/31/21/34/570312134.db2.gz WWPBCIMLLVKFDL-FQEVSTJZSA-N 2 1 391.556 1.409 50 0 GDAAMP CN1CC[N@H+](Cc2cccc(OC[C@@H](O)C[NH+]3CCC(O)CC3)c2)CC1(C)C ZINC000108261312 570312135 /nfs/dbraw/zinc/31/21/35/570312135.db2.gz WWPBCIMLLVKFDL-FQEVSTJZSA-N 2 1 391.556 1.409 50 0 GDAAMP CN1CC[N@@H+](Cc2cccc(OC[C@@H](O)C[NH+]3CCC(O)CC3)c2)CC1(C)C ZINC000108261312 570312136 /nfs/dbraw/zinc/31/21/36/570312136.db2.gz WWPBCIMLLVKFDL-FQEVSTJZSA-N 2 1 391.556 1.409 50 0 GDAAMP C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)Nc3cccc(C(=O)N4CC[NH+](C)CC4)c3)C[C@H]12 ZINC000299758554 570892357 /nfs/dbraw/zinc/89/23/57/570892357.db2.gz KGCLSDLPPIRLDV-LDLYASANSA-N 2 1 385.512 1.346 50 0 GDAAMP COCc1cc(C[N@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)ccc1OC ZINC000095356144 571052481 /nfs/dbraw/zinc/05/24/81/571052481.db2.gz MLWHDXSIPYZOEQ-WOJBJXKFSA-N 2 1 377.529 1.129 50 0 GDAAMP CCn1c(=O)n(CC[NH+]2CCN(c3ccccc3)CC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067757105 136164982 /nfs/dbraw/zinc/16/49/82/136164982.db2.gz IJEMPGHGBKIDNW-GOSISDBHSA-N 2 1 384.528 1.354 50 0 GDAAMP C[N@@H+](CCO)C[C@@H]1C[NH+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1CO ZINC000091416878 136176253 /nfs/dbraw/zinc/17/62/53/136176253.db2.gz RXEPGNNIILSHFY-IAGOWNOFSA-N 2 1 381.948 1.773 50 0 GDAAMP C[NH+](CCO)C[C@@H]1C[N@@H+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1CO ZINC000091416878 136176254 /nfs/dbraw/zinc/17/62/54/136176254.db2.gz RXEPGNNIILSHFY-IAGOWNOFSA-N 2 1 381.948 1.773 50 0 GDAAMP C[NH+](CCO)C[C@@H]1C[N@H+](C2CCN(c3ccccc3Cl)CC2)C[C@@H]1CO ZINC000091416878 136176255 /nfs/dbraw/zinc/17/62/55/136176255.db2.gz RXEPGNNIILSHFY-IAGOWNOFSA-N 2 1 381.948 1.773 50 0 GDAAMP O=C(NC1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071479527 222185509 /nfs/dbraw/zinc/18/55/09/222185509.db2.gz FWYVUTVRCAEHDQ-LJQANCHMSA-N 2 1 385.556 1.626 50 0 GDAAMP C[NH2+]CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071755232 222192246 /nfs/dbraw/zinc/19/22/46/222192246.db2.gz WRQIEGMCUYPMEY-IBGZPJMESA-N 2 1 386.540 1.268 50 0 GDAAMP O=C(NCC[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071775821 222197584 /nfs/dbraw/zinc/19/75/84/222197584.db2.gz RATDREQBQAAOLM-NRFANRHFSA-N 2 1 399.583 1.970 50 0 GDAAMP CC(C)C[N@@H+](C)CCCN1CC2(CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)OC1=O ZINC000077425583 222281768 /nfs/dbraw/zinc/28/17/68/222281768.db2.gz BZOZPKFWMHCKLW-KRWDZBQOSA-N 2 1 380.533 1.530 50 0 GDAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc4c(c3)OCCO4)C[C@@H]2CO)CC1 ZINC000091475553 571010348 /nfs/dbraw/zinc/01/03/48/571010348.db2.gz NGPYDMLPFLUFFA-RTBURBONSA-N 2 1 375.513 1.136 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2CO)CC1 ZINC000091475553 571010350 /nfs/dbraw/zinc/01/03/50/571010350.db2.gz NGPYDMLPFLUFFA-RTBURBONSA-N 2 1 375.513 1.136 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2CO)CC1 ZINC000091475553 571010352 /nfs/dbraw/zinc/01/03/52/571010352.db2.gz NGPYDMLPFLUFFA-RTBURBONSA-N 2 1 375.513 1.136 50 0 GDAAMP C[N@H+]1CC2(C[C@@H]1C(=O)N1CCN(c3ncccc3Cl)CC1)CC[NH2+]CC2 ZINC000072428306 136170081 /nfs/dbraw/zinc/17/00/81/136170081.db2.gz ONERTXFGUZOECI-MRXNPFEDSA-N 2 1 377.920 1.458 50 0 GDAAMP CCc1[nH]c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)c(C)[nH+]1 ZINC000067982385 222170957 /nfs/dbraw/zinc/17/09/57/222170957.db2.gz UKVUZHIEKQLOCH-QGZVFWFLSA-N 2 1 391.560 1.720 50 0 GDAAMP CCc1[nH]c(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)c(C)[nH+]1 ZINC000067982385 222170960 /nfs/dbraw/zinc/17/09/60/222170960.db2.gz UKVUZHIEKQLOCH-QGZVFWFLSA-N 2 1 391.560 1.720 50 0 GDAAMP NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071751796 222192214 /nfs/dbraw/zinc/19/22/14/222192214.db2.gz GHKYXUGJAGAEJY-IBGZPJMESA-N 2 1 386.540 1.397 50 0 GDAAMP NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071751796 222192217 /nfs/dbraw/zinc/19/22/17/222192217.db2.gz GHKYXUGJAGAEJY-IBGZPJMESA-N 2 1 386.540 1.397 50 0 GDAAMP CNC(=O)C[NH+]1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095503389 222335282 /nfs/dbraw/zinc/33/52/82/222335282.db2.gz BYYLMKQFFSDPRU-HXUWFJFHSA-N 2 1 386.540 1.615 50 0 GDAAMP COc1cc(C[N@H+]2CCCOCC2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000095516845 222343642 /nfs/dbraw/zinc/34/36/42/222343642.db2.gz ACYZMUZJSDLOIV-IBGZPJMESA-N 2 1 394.512 1.114 50 0 GDAAMP COc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c(OC)c1 ZINC000091663947 571024317 /nfs/dbraw/zinc/02/43/17/571024317.db2.gz XTDKZBGCXQLTHM-RTBURBONSA-N 2 1 377.529 1.382 50 0 GDAAMP COc1ccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@H+](C)CC3)C2)c(OC)c1 ZINC000091663947 571024319 /nfs/dbraw/zinc/02/43/19/571024319.db2.gz XTDKZBGCXQLTHM-RTBURBONSA-N 2 1 377.529 1.382 50 0 GDAAMP COc1ccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)c(OC)c1 ZINC000091663947 571024323 /nfs/dbraw/zinc/02/43/23/571024323.db2.gz XTDKZBGCXQLTHM-RTBURBONSA-N 2 1 377.529 1.382 50 0 GDAAMP CN(C)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cn1 ZINC000095389245 571071755 /nfs/dbraw/zinc/07/17/55/571071755.db2.gz SHXWJGUFIUZUNT-UXHICEINSA-N 2 1 375.561 1.358 50 0 GDAAMP CN(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cn1 ZINC000095389245 571071759 /nfs/dbraw/zinc/07/17/59/571071759.db2.gz SHXWJGUFIUZUNT-UXHICEINSA-N 2 1 375.561 1.358 50 0 GDAAMP COCC[NH+]1CCC(C[N@@H+](C[C@@H]2CCCO2)C2CCN(C(C)=O)CC2)CC1 ZINC000012314980 221179605 /nfs/dbraw/zinc/17/96/05/221179605.db2.gz XMVZJBRIUJBSKJ-NRFANRHFSA-N 2 1 381.561 1.837 50 0 GDAAMP C[N@H+]1CC[C@@H](CNc2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)C1 ZINC000067743135 222157639 /nfs/dbraw/zinc/15/76/39/222157639.db2.gz KLCJSKRDCXVFSP-KRWDZBQOSA-N 2 1 387.528 1.382 50 0 GDAAMP C[NH2+]C1CC[NH+](C[C@@]2(O)CCCN(Cc3cc(OC)ccc3F)C2=O)CC1 ZINC000067834327 222162024 /nfs/dbraw/zinc/16/20/24/222162024.db2.gz DSAAYTJKEFKHIQ-FQEVSTJZSA-N 2 1 379.476 1.372 50 0 GDAAMP COCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cccc(CC[NH3+])c1)CC2 ZINC000095527648 222350351 /nfs/dbraw/zinc/35/03/51/222350351.db2.gz FITARNAVWLGTKM-UHFFFAOYSA-N 2 1 397.523 1.433 50 0 GDAAMP CC1(C)C[N@H+](Cc2cccc(OC[C@H](O)C[NH+]3CCC(O)CC3)c2)CCO1 ZINC000095529770 222353552 /nfs/dbraw/zinc/35/35/52/222353552.db2.gz FXKDIDJIJPAFFB-LJQANCHMSA-N 2 1 378.513 1.494 50 0 GDAAMP CC1(C)C[N@@H+](Cc2cccc(OC[C@H](O)C[NH+]3CCC(O)CC3)c2)CCO1 ZINC000095529770 222353554 /nfs/dbraw/zinc/35/35/54/222353554.db2.gz FXKDIDJIJPAFFB-LJQANCHMSA-N 2 1 378.513 1.494 50 0 GDAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCOC(C)C)c2)CC1 ZINC000019226983 570963854 /nfs/dbraw/zinc/96/38/54/570963854.db2.gz RJEWYEFUFNNPMS-HXUWFJFHSA-N 2 1 379.545 1.578 50 0 GDAAMP Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000012430728 221191770 /nfs/dbraw/zinc/19/17/70/221191770.db2.gz QVVCCKNXZKRDSW-HXUWFJFHSA-N 2 1 384.524 1.240 50 0 GDAAMP CCc1[nH]c(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)c(C)[nH+]1 ZINC000067982384 222171644 /nfs/dbraw/zinc/17/16/44/222171644.db2.gz UKVUZHIEKQLOCH-KRWDZBQOSA-N 2 1 391.560 1.720 50 0 GDAAMP CCc1[nH]c(CN2CCC([N@H+]3CCC[C@H](C(=O)NCCOC)C3)CC2)c(C)[nH+]1 ZINC000067982384 222171650 /nfs/dbraw/zinc/17/16/50/222171650.db2.gz UKVUZHIEKQLOCH-KRWDZBQOSA-N 2 1 391.560 1.720 50 0 GDAAMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC(C)(C)N1CCC([NH+](C)C)CC1 ZINC000069428198 222172966 /nfs/dbraw/zinc/17/29/66/222172966.db2.gz LHDPZBGXUDXAJR-INIZCTEOSA-N 2 1 378.565 1.931 50 0 GDAAMP CNC(=O)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071405705 222184259 /nfs/dbraw/zinc/18/42/59/222184259.db2.gz VXXRPNQHWVYFNI-LJQANCHMSA-N 2 1 398.551 1.192 50 0 GDAAMP CNC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071746109 222186787 /nfs/dbraw/zinc/18/67/87/222186787.db2.gz PDVLGVTWWXKKFD-SFHVURJKSA-N 2 1 387.528 1.010 50 0 GDAAMP CNC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071746109 222186790 /nfs/dbraw/zinc/18/67/90/222186790.db2.gz PDVLGVTWWXKKFD-SFHVURJKSA-N 2 1 387.528 1.010 50 0 GDAAMP [NH3+]CCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071707764 222188016 /nfs/dbraw/zinc/18/80/16/222188016.db2.gz BGKZEVOCTXYINY-HXUWFJFHSA-N 3 1 384.568 1.795 50 0 GDAAMP [NH3+]CCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071707764 222188020 /nfs/dbraw/zinc/18/80/20/222188020.db2.gz BGKZEVOCTXYINY-HXUWFJFHSA-N 2 1 384.568 1.795 50 0 GDAAMP [NH3+]CCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C3Cc4ccccc4C3)CC2)C1 ZINC000071707764 222188024 /nfs/dbraw/zinc/18/80/24/222188024.db2.gz BGKZEVOCTXYINY-HXUWFJFHSA-N 2 1 384.568 1.795 50 0 GDAAMP C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071767675 222196516 /nfs/dbraw/zinc/19/65/16/222196516.db2.gz OMICTWWDSOBERS-HXUWFJFHSA-N 2 1 387.572 1.826 50 0 GDAAMP CNC(=O)CC[N@@H+](C)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095517698 222343927 /nfs/dbraw/zinc/34/39/27/222343927.db2.gz QCKKCOUZFGSLLA-IBGZPJMESA-N 2 1 377.529 1.870 50 0 GDAAMP COc1cc(C[N@H+]2CCCOCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095528264 222350560 /nfs/dbraw/zinc/35/05/60/222350560.db2.gz IMPKXQOSMNHTEJ-SFHVURJKSA-N 2 1 396.553 1.706 50 0 GDAAMP COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC[N@@H+](Cc3ccccn3)CC2)n1 ZINC000244899425 570698346 /nfs/dbraw/zinc/69/83/46/570698346.db2.gz ZJSGWAXGAPKPAA-CALCHBBNSA-N 2 1 382.512 1.935 50 0 GDAAMP C[NH+](C)CCC[NH+]1CCC(N2C[C@@H](COc3ccc(F)cc3)OCC2=O)CC1 ZINC000299767668 570893514 /nfs/dbraw/zinc/89/35/14/570893514.db2.gz JGWPNYRSEWQDLB-FQEVSTJZSA-N 2 1 393.503 1.848 50 0 GDAAMP COc1ccc(S(=O)(=O)N2CCC([N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CC2)cc1 ZINC000097165828 570901564 /nfs/dbraw/zinc/90/15/64/570901564.db2.gz JKXBXHSPRKPFRZ-KYNGSXCRSA-N 2 1 379.526 1.517 50 0 GDAAMP O=C([C@H]1CSC[NH2+]1)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000238014013 570945307 /nfs/dbraw/zinc/94/53/07/570945307.db2.gz RGTMYPWUHDKVPE-DLBZAZTESA-N 2 1 375.542 1.105 50 0 GDAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccccc3OC(F)F)C[C@@H]2CO)CC1 ZINC000091678427 571025638 /nfs/dbraw/zinc/02/56/38/571025638.db2.gz WOOBRFYRZIBAIG-QZTJIDSGSA-N 2 1 383.483 1.966 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3ccccc3OC(F)F)C[C@@H]2CO)CC1 ZINC000091678427 571025639 /nfs/dbraw/zinc/02/56/39/571025639.db2.gz WOOBRFYRZIBAIG-QZTJIDSGSA-N 2 1 383.483 1.966 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3ccccc3OC(F)F)C[C@@H]2CO)CC1 ZINC000091678427 571025642 /nfs/dbraw/zinc/02/56/42/571025642.db2.gz WOOBRFYRZIBAIG-QZTJIDSGSA-N 2 1 383.483 1.966 50 0 GDAAMP CC[NH+](CC)CC(=O)N(C[C@H]1CCC[N@H+]1CC)CC1CC[NH+](CCOC)CC1 ZINC000011934889 221138513 /nfs/dbraw/zinc/13/85/13/221138513.db2.gz NKKBOEUNWHPOKL-OAQYLSRUSA-N 3 1 396.620 2.000 50 0 GDAAMP CCN(CC)CC(=O)N(C[C@H]1CCC[N@@H+]1CC)CC1CC[NH+](CCOC)CC1 ZINC000011934889 221138516 /nfs/dbraw/zinc/13/85/16/221138516.db2.gz NKKBOEUNWHPOKL-OAQYLSRUSA-N 2 1 396.620 2.000 50 0 GDAAMP CCN(CC)CC(=O)N(C[C@H]1CCC[N@H+]1CC)CC1CC[NH+](CCOC)CC1 ZINC000011934889 221138517 /nfs/dbraw/zinc/13/85/17/221138517.db2.gz NKKBOEUNWHPOKL-OAQYLSRUSA-N 2 1 396.620 2.000 50 0 GDAAMP Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nc(N(C)C)[nH+]1 ZINC000071753714 222190750 /nfs/dbraw/zinc/19/07/50/222190750.db2.gz RBZXRVXCPGUHAR-MRXNPFEDSA-N 2 1 386.544 1.810 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(c4nccs4)CC3)C2)CC1 ZINC000071479375 222185711 /nfs/dbraw/zinc/18/57/11/222185711.db2.gz JYJNOGRMWLLNAO-MRXNPFEDSA-N 2 1 377.558 1.598 50 0 GDAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(c4nccs4)CC3)C2)CC1 ZINC000071479375 222185714 /nfs/dbraw/zinc/18/57/14/222185714.db2.gz JYJNOGRMWLLNAO-MRXNPFEDSA-N 2 1 377.558 1.598 50 0 GDAAMP CN(C)[C@H]1CC[N@H+](CCCN2CC3(CC[NH+](C4CCOCC4)CC3)OC2=O)C1 ZINC000072454596 222262926 /nfs/dbraw/zinc/26/29/26/222262926.db2.gz OBHGDILKQAFTIL-IBGZPJMESA-N 2 1 394.560 1.478 50 0 GDAAMP CN(C)[C@H]1CC[N@@H+](CCCN2CC3(CC[NH+](C4CCOCC4)CC3)OC2=O)C1 ZINC000072454596 222262929 /nfs/dbraw/zinc/26/29/29/222262929.db2.gz OBHGDILKQAFTIL-IBGZPJMESA-N 2 1 394.560 1.478 50 0 GDAAMP C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)c1nc[nH]n1 ZINC000095521671 222346116 /nfs/dbraw/zinc/34/61/16/222346116.db2.gz QTPXRXOAYAOMCO-MRXNPFEDSA-N 2 1 388.491 1.860 50 0 GDAAMP Cc1ncc2c(c1-c1noc(C[C@H]3C(=O)NCC[N@@H+]3C3CCCC3)n1)CC[NH2+]C2 ZINC000020539148 570266230 /nfs/dbraw/zinc/26/62/30/570266230.db2.gz WZXFJUKCKLJQGB-KRWDZBQOSA-N 2 1 396.495 1.371 50 0 GDAAMP Cc1ncc2c(c1-c1noc(C[C@H]3C(=O)NCC[N@H+]3C3CCCC3)n1)CC[NH2+]C2 ZINC000020539148 570266232 /nfs/dbraw/zinc/26/62/32/570266232.db2.gz WZXFJUKCKLJQGB-KRWDZBQOSA-N 2 1 396.495 1.371 50 0 GDAAMP Cc1c(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237774921 570396414 /nfs/dbraw/zinc/39/64/14/570396414.db2.gz YXCCQXJWCUUMJY-DAYGRLMNSA-N 2 1 390.532 1.225 50 0 GDAAMP Cc1c(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237774921 570396420 /nfs/dbraw/zinc/39/64/20/570396420.db2.gz YXCCQXJWCUUMJY-DAYGRLMNSA-N 2 1 390.532 1.225 50 0 GDAAMP COc1ccc(S(=O)(=O)N2CCC([N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2)cc1 ZINC000221910718 570403390 /nfs/dbraw/zinc/40/33/90/570403390.db2.gz JKXBXHSPRKPFRZ-GDIGMMSISA-N 2 1 379.526 1.517 50 0 GDAAMP CNc1cc[nH+]c(NC[C@@H]2CN(CC3CC[NH+](CC4CC4)CC3)C(=O)CO2)n1 ZINC000299765734 570892911 /nfs/dbraw/zinc/89/29/11/570892911.db2.gz CIMAJQOYRGCLGQ-QGZVFWFLSA-N 2 1 388.516 1.280 50 0 GDAAMP CC[NH+](CC)CCNC(=O)CC[C@H]1C[N@@H+](CC(C)C)CC[C@H]1N1CCOCC1 ZINC000299779523 570895215 /nfs/dbraw/zinc/89/52/15/570895215.db2.gz GAKVXTAIBMZHPL-LEWJYISDSA-N 2 1 396.620 1.903 50 0 GDAAMP C[N@H+]1CCCN(C[C@@H]2C[NH+](Cc3ccc4nsnc4c3)C[C@@H]2CO)CC1 ZINC000091270511 571002346 /nfs/dbraw/zinc/00/23/46/571002346.db2.gz SWLIWXPRYICFJW-IAGOWNOFSA-N 2 1 375.542 1.369 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@H+](Cc3ccc4nsnc4c3)C[C@@H]2CO)CC1 ZINC000091270511 571002348 /nfs/dbraw/zinc/00/23/48/571002348.db2.gz SWLIWXPRYICFJW-IAGOWNOFSA-N 2 1 375.542 1.369 50 0 GDAAMP C[NH+]1CCCN(C[C@@H]2C[N@@H+](Cc3ccc4nsnc4c3)C[C@@H]2CO)CC1 ZINC000091270511 571002349 /nfs/dbraw/zinc/00/23/49/571002349.db2.gz SWLIWXPRYICFJW-IAGOWNOFSA-N 2 1 375.542 1.369 50 0 GDAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2CO)CC1 ZINC000091636632 571020775 /nfs/dbraw/zinc/02/07/75/571020775.db2.gz XNCWEXKWWRKEIJ-RTBURBONSA-N 2 1 375.513 1.136 50 0 GDAAMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095368471 571059970 /nfs/dbraw/zinc/05/99/70/571059970.db2.gz DXYBOYNSBKIWFC-GHTZIAJQSA-N 2 1 383.536 1.799 50 0 GDAAMP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[C@@H]1C[N@H+](C1Cc3ccccc3C1)C2 ZINC000095368471 571059972 /nfs/dbraw/zinc/05/99/72/571059972.db2.gz DXYBOYNSBKIWFC-GHTZIAJQSA-N 2 1 383.536 1.799 50 0 GDAAMP O[C@@H](COc1ccccc1C[N@@H+]1CCc2n[nH]cc2C1)C[NH+]1CCSCC1 ZINC000095510107 571081748 /nfs/dbraw/zinc/08/17/48/571081748.db2.gz ZDOXJLJMWBUPPR-GOSISDBHSA-N 2 1 388.537 1.757 50 0 GDAAMP O[C@@H](COc1ccccc1C[N@H+]1CCc2n[nH]cc2C1)C[NH+]1CCSCC1 ZINC000095510107 571081752 /nfs/dbraw/zinc/08/17/52/571081752.db2.gz ZDOXJLJMWBUPPR-GOSISDBHSA-N 2 1 388.537 1.757 50 0 GDAAMP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+]2CCCOCC2)c1 ZINC000095516380 571083993 /nfs/dbraw/zinc/08/39/93/571083993.db2.gz DGIHYCXFIMQJCB-LJQANCHMSA-N 2 1 394.512 1.114 50 0 GDAAMP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+]2CCCOCC2)c1 ZINC000095516380 571083995 /nfs/dbraw/zinc/08/39/95/571083995.db2.gz DGIHYCXFIMQJCB-LJQANCHMSA-N 2 1 394.512 1.114 50 0 GDAAMP O=C(NCCC[N@@H+]1CCC[C@@H](O)C1)N1CCC[NH+](Cc2cccs2)CC1 ZINC000426522915 231235596 /nfs/dbraw/zinc/23/55/96/231235596.db2.gz NOLOZMCWJGOFOV-QGZVFWFLSA-N 2 1 380.558 1.812 50 0 GDAAMP O=C(NCCC[NH+]1CCC[C@@H](O)C1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000426522915 231235600 /nfs/dbraw/zinc/23/56/00/231235600.db2.gz NOLOZMCWJGOFOV-QGZVFWFLSA-N 2 1 380.558 1.812 50 0 GDAAMP O=C(NCCC[NH+]1CCC[C@@H](O)C1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000426522915 231235604 /nfs/dbraw/zinc/23/56/04/231235604.db2.gz NOLOZMCWJGOFOV-QGZVFWFLSA-N 2 1 380.558 1.812 50 0 GDAAMP O=C(C[C@H]1C(=O)NCC[N@H+]1C1CCCC1)N1CCC[NH+](C2CCCCC2)CC1 ZINC000012744306 221223789 /nfs/dbraw/zinc/22/37/89/221223789.db2.gz QXHQYTORRFLHQR-FQEVSTJZSA-N 2 1 390.572 1.987 50 0 GDAAMP O=C(C[C@H]1C(=O)NCC[NH+]1C1CCCC1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000012744306 221223792 /nfs/dbraw/zinc/22/37/92/221223792.db2.gz QXHQYTORRFLHQR-FQEVSTJZSA-N 2 1 390.572 1.987 50 0 GDAAMP O=C(C[C@H]1C(=O)NCC[NH+]1C1CCCC1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000012744306 221223793 /nfs/dbraw/zinc/22/37/93/221223793.db2.gz QXHQYTORRFLHQR-FQEVSTJZSA-N 2 1 390.572 1.987 50 0 GDAAMP CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)nn2)C[NH2+]1 ZINC000067817680 222161739 /nfs/dbraw/zinc/16/17/39/222161739.db2.gz AZIJYYULYQBLQG-OHQAAIJDSA-N 2 1 398.511 1.203 50 0 GDAAMP NC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071751795 222191912 /nfs/dbraw/zinc/19/19/12/222191912.db2.gz GHKYXUGJAGAEJY-LJQANCHMSA-N 2 1 386.540 1.397 50 0 GDAAMP NC(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071751795 222191915 /nfs/dbraw/zinc/19/19/15/222191915.db2.gz GHKYXUGJAGAEJY-LJQANCHMSA-N 2 1 386.540 1.397 50 0 GDAAMP Cc1ccnc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)n1 ZINC000071754287 222192845 /nfs/dbraw/zinc/19/28/45/222192845.db2.gz ZTZYRJBHPSWZJB-SFHVURJKSA-N 2 1 386.544 1.240 50 0 GDAAMP Cc1ccnc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CC[NH+](C)CC4)C3)CC2)n1 ZINC000071754287 222192849 /nfs/dbraw/zinc/19/28/49/222192849.db2.gz ZTZYRJBHPSWZJB-SFHVURJKSA-N 2 1 386.544 1.240 50 0 GDAAMP NC(=O)CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071756930 222194790 /nfs/dbraw/zinc/19/47/90/222194790.db2.gz PATMMYLUHJHWSP-LJQANCHMSA-N 2 1 398.551 1.322 50 0 GDAAMP CC(C)([NH3+])C(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071767863 222195898 /nfs/dbraw/zinc/19/58/98/222195898.db2.gz RFJPXNCRIVHCCX-QGZVFWFLSA-N 2 1 387.528 1.138 50 0 GDAAMP c1c(C[N@H+]2CCc3nnc(Cc4cccnc4)n3CC2)nn2c1C[NH2+]CCC2 ZINC000072158485 222213469 /nfs/dbraw/zinc/21/34/69/222213469.db2.gz PJBQXKYMWZDAGW-UHFFFAOYSA-N 2 1 378.484 1.012 50 0 GDAAMP c1c(C[N@@H+]2CCc3nnc(Cc4cccnc4)n3CC2)nn2c1C[NH2+]CCC2 ZINC000072158485 222213473 /nfs/dbraw/zinc/21/34/73/222213473.db2.gz PJBQXKYMWZDAGW-UHFFFAOYSA-N 2 1 378.484 1.012 50 0 GDAAMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000426647093 528742613 /nfs/dbraw/zinc/74/26/13/528742613.db2.gz LWXNEPGQQHFBFP-LEWJYISDSA-N 2 1 388.556 1.913 50 0 GDAAMP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)CC1 ZINC000426647093 528742618 /nfs/dbraw/zinc/74/26/18/528742618.db2.gz LWXNEPGQQHFBFP-LEWJYISDSA-N 2 1 388.556 1.913 50 0 GDAAMP COC(=O)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000020203379 570247743 /nfs/dbraw/zinc/24/77/43/570247743.db2.gz KQGSPFPGHNRPSI-IBGZPJMESA-N 2 1 399.535 1.619 50 0 GDAAMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C)cc1 ZINC000045966802 570649849 /nfs/dbraw/zinc/64/98/49/570649849.db2.gz MMWGBECYXGNTPO-HXUWFJFHSA-N 2 1 386.540 1.743 50 0 GDAAMP C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[N@@H+](C)C1CC1 ZINC000089900550 570918724 /nfs/dbraw/zinc/91/87/24/570918724.db2.gz UTCJPKBEZMAVRT-ZDUSSCGKSA-N 2 1 396.919 1.818 50 0 GDAAMP CCc1noc(C[N@@H+]2CC[C@@H]3C[C@H]([NH+]4CCOCC4)CC[C@@]3(COC)C2)n1 ZINC000095373828 571062682 /nfs/dbraw/zinc/06/26/82/571062682.db2.gz FXOGXWSBCLMYMG-HLIPFELVSA-N 2 1 378.517 1.971 50 0 GDAAMP CCc1noc(C[N@H+]2CC[C@@H]3C[C@H]([NH+]4CCOCC4)CC[C@@]3(COC)C2)n1 ZINC000095373828 571062685 /nfs/dbraw/zinc/06/26/85/571062685.db2.gz FXOGXWSBCLMYMG-HLIPFELVSA-N 2 1 378.517 1.971 50 0 GDAAMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(-c3c[nH+]ccc3N)cc2)C1 ZINC000426641293 231248634 /nfs/dbraw/zinc/24/86/34/231248634.db2.gz AHJXAVBSNPKEIM-KRWDZBQOSA-N 2 1 381.480 1.478 50 0 GDAAMP COc1c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)nn1C ZINC000108420909 212098082 /nfs/dbraw/zinc/09/80/82/212098082.db2.gz YLCBYYMAQZCLSI-GOSISDBHSA-N 2 1 385.512 1.724 50 0 GDAAMP COc1c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)nn1C ZINC000108420909 212098088 /nfs/dbraw/zinc/09/80/88/212098088.db2.gz YLCBYYMAQZCLSI-GOSISDBHSA-N 2 1 385.512 1.724 50 0 GDAAMP CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1nonc1C ZINC000012315183 221178919 /nfs/dbraw/zinc/17/89/19/221178919.db2.gz XQJFAJODEOGKNQ-GOSISDBHSA-N 2 1 393.532 1.663 50 0 GDAAMP C[N@H+]1CC2(C[C@H]1C(=O)N1CCN(c3ncccc3Cl)CC1)CC[NH2+]CC2 ZINC000072428307 136170076 /nfs/dbraw/zinc/17/00/76/136170076.db2.gz ONERTXFGUZOECI-INIZCTEOSA-N 2 1 377.920 1.458 50 0 GDAAMP C[NH+]1CCN(c2ncccc2NC(=O)CCc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072473252 136171194 /nfs/dbraw/zinc/17/11/94/136171194.db2.gz DYRUCJNHESQQFV-UHFFFAOYSA-N 2 1 383.500 1.095 50 0 GDAAMP [NH3+]CC1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000071551641 222185285 /nfs/dbraw/zinc/18/52/85/222185285.db2.gz ZELJQDKVJKGZPX-NRFANRHFSA-N 2 1 399.583 1.955 50 0 GDAAMP O=C(NCCCO)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071759459 222194066 /nfs/dbraw/zinc/19/40/66/222194066.db2.gz RYBZKDHKUAIISI-HXUWFJFHSA-N 2 1 385.552 1.829 50 0 GDAAMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000072305747 222222179 /nfs/dbraw/zinc/22/21/79/222222179.db2.gz CABBAHVJRDYWPP-MRXNPFEDSA-N 2 1 390.528 1.935 50 0 GDAAMP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]CCCOC(C)C)c2)CC1 ZINC000019770775 570218239 /nfs/dbraw/zinc/21/82/39/570218239.db2.gz LPFJFGQHYAFSTJ-OAQYLSRUSA-N 2 1 393.572 1.969 50 0 GDAAMP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000215680503 570290806 /nfs/dbraw/zinc/29/08/06/570290806.db2.gz ALTVQXPCGFSUBM-OAQYLSRUSA-N 2 1 386.540 1.174 50 0 GDAAMP Cc1[nH+]ccn1CCCNC(=O)C[C@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000023337740 570355032 /nfs/dbraw/zinc/35/50/32/570355032.db2.gz RZVCZJVLNUAFON-SFHVURJKSA-N 2 1 375.517 1.469 50 0 GDAAMP Cc1[nH+]ccn1CCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1 ZINC000023337740 570355034 /nfs/dbraw/zinc/35/50/34/570355034.db2.gz RZVCZJVLNUAFON-SFHVURJKSA-N 2 1 375.517 1.469 50 0 GDAAMP CC[NH+]1CCN(C2(C(=O)NCC[NH+]3CCCCC3)Cc3ccccc3C2)CC1 ZINC000023374034 570358243 /nfs/dbraw/zinc/35/82/43/570358243.db2.gz ATNLDCRAIIRCBD-UHFFFAOYSA-N 2 1 384.568 1.764 50 0 GDAAMP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+][C@H]3CC[C@H](O)CC3)c2)CC1 ZINC000244811737 570433574 /nfs/dbraw/zinc/43/35/74/570433574.db2.gz SKGJIQBBSMPRRP-ACRUOGEOSA-N 2 1 391.556 1.457 50 0 GDAAMP CCn1cc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(C)n1 ZINC000039455487 570591894 /nfs/dbraw/zinc/59/18/94/570591894.db2.gz DBTITNURGCOIIZ-OAQYLSRUSA-N 2 1 377.577 1.953 50 0 GDAAMP CCn1cc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c(C)n1 ZINC000039455487 570591896 /nfs/dbraw/zinc/59/18/96/570591896.db2.gz DBTITNURGCOIIZ-OAQYLSRUSA-N 2 1 377.577 1.953 50 0 GDAAMP CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]2CO)CC1 ZINC000095355102 571051297 /nfs/dbraw/zinc/05/12/97/571051297.db2.gz ZCRMVJIBNNZCEZ-NHCUHLMSSA-N 2 1 383.540 1.550 50 0 GDAAMP O[C@H](COc1ccccc1C[N@@H+]1CCc2n[nH]cc2C1)C[NH+]1CCSCC1 ZINC000095510108 571081578 /nfs/dbraw/zinc/08/15/78/571081578.db2.gz ZDOXJLJMWBUPPR-SFHVURJKSA-N 2 1 388.537 1.757 50 0 GDAAMP O[C@H](COc1ccccc1C[N@H+]1CCc2n[nH]cc2C1)C[NH+]1CCSCC1 ZINC000095510108 571081581 /nfs/dbraw/zinc/08/15/81/571081581.db2.gz ZDOXJLJMWBUPPR-SFHVURJKSA-N 2 1 388.537 1.757 50 0 GDAAMP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+]2CCCOCC2)c1 ZINC000095516381 571083881 /nfs/dbraw/zinc/08/38/81/571083881.db2.gz DGIHYCXFIMQJCB-IBGZPJMESA-N 2 1 394.512 1.114 50 0 GDAAMP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+]2CCCOCC2)c1 ZINC000095516381 571083885 /nfs/dbraw/zinc/08/38/85/571083885.db2.gz DGIHYCXFIMQJCB-IBGZPJMESA-N 2 1 394.512 1.114 50 0 GDAAMP