smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC ZINC000001490862 561676306 /nfs/dbraw/zinc/67/63/06/561676306.db2.gz FAPFLIWIGPTUPT-FCHUYYIVSA-N 1 0 500.617 3.258 1 0 KGAFRO Cc1cc(-c2nn(C[C@H](O)C[NH+]3CCC(n4c(=O)[nH]c5ccccc54)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1Cl ZINC000001494660 561676615 /nfs/dbraw/zinc/67/66/15/561676615.db2.gz BDILYKJUXTXFME-JOCHJYFZSA-N 1 0 599.157 3.171 1 0 KGAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(I)cc1 ZINC000001539418 561677119 /nfs/dbraw/zinc/67/71/19/561677119.db2.gz ZNTDIRUBXSTBGJ-NRFANRHFSA-N 1 0 568.433 3.370 1 0 in-vitro KGAFRO Cn1nc(C(=O)NCCC[NH+](C)CCCNC(=O)c2nn(C)c3c2Cc2ccccc2-3)c2c1-c1ccccc1C2 ZINC000001658500 561678967 /nfs/dbraw/zinc/67/89/67/561678967.db2.gz ALYPQNQVLSGRNW-UHFFFAOYSA-N 1 0 537.668 3.168 1 0 KGAFRO Cc1cc(C)c2c(n1)sn(C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1sc3nc(C)cc(C)c3c1=O)c2=O ZINC000001659365 561678951 /nfs/dbraw/zinc/67/89/51/561678951.db2.gz PHNZSZARZOGBKP-ZRZAMGCNSA-N 1 0 579.748 3.387 1 0 KGAFRO Cc1cc(C)c2c(n1)sn(C[C@@H](O)C[NH+](Cc1ccccc1)C[C@H](O)Cn1sc3nc(C)cc(C)c3c1=O)c2=O ZINC000001659366 561678980 /nfs/dbraw/zinc/67/89/80/561678980.db2.gz PHNZSZARZOGBKP-GOTSBHOMSA-N 1 0 579.748 3.387 1 0 KGAFRO Cc1cc(C)c2c(n1)sn(C[C@H](O)C[NH+](Cc1ccccc1)C[C@@H](O)Cn1sc3nc(C)cc(C)c3c1=O)c2=O ZINC000001659367 561678949 /nfs/dbraw/zinc/67/89/49/561678949.db2.gz PHNZSZARZOGBKP-DHIUTWEWSA-N 1 0 579.748 3.387 1 0 KGAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)COc2cccnc2)cc1)c1ccc(I)cc1 ZINC000002004598 561680355 /nfs/dbraw/zinc/68/03/55/561680355.db2.gz JKCIKWIXDFDPQX-FQEVSTJZSA-N 1 0 553.422 3.059 1 0 KGAFRO CC(C)([NH3+])CC(=O)N[C@H](CCc1ccccc1)C(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003805926 561682623 /nfs/dbraw/zinc/68/26/23/561682623.db2.gz LROIAJAVXNARID-RUZDIDTESA-N 1 0 511.630 3.395 1 0 KGAFRO CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])C1 ZINC000003812534 561682748 /nfs/dbraw/zinc/68/27/48/561682748.db2.gz QNGCLIBDFQODIR-RNAHPLFWSA-N 1 0 518.658 3.347 1 0 KGAFRO CC(C)([NH3+])CNC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000003813422 561682702 /nfs/dbraw/zinc/68/27/02/561682702.db2.gz YBTHNKZONUHTSQ-XMMPIXPASA-N 1 0 524.629 3.418 1 0 KGAFRO CS(=O)(=O)Nc1ccc(N2CCN(C(=O)CCCCCOc3ccc4[nH]cc(CC[NH3+])c4c3)CC2)cc1 ZINC000003824074 561683296 /nfs/dbraw/zinc/68/32/96/561683296.db2.gz AQUSECISJGGKTA-UHFFFAOYSA-N 1 0 527.691 3.329 1 0 KGAFRO CC1(C)CNc2c(cc(Cl)cc2S(=O)(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N2CCC(CC(F)F)CC2)C1 ZINC000003831738 561683548 /nfs/dbraw/zinc/68/35/48/561683548.db2.gz AAFRZDWLMMZHGP-SFHVURJKSA-N 1 0 563.115 3.138 1 0 KGAFRO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC(C)CC2)c(C)c1C ZINC000003834136 561683770 /nfs/dbraw/zinc/68/37/70/561683770.db2.gz XASLMEPRPDINAK-QFIPXVFZSA-N 1 0 500.665 3.053 1 0 KGAFRO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000003834142 561683746 /nfs/dbraw/zinc/68/37/46/561683746.db2.gz YPWYAMXNARFYGB-WUFINQPMSA-N 1 0 570.671 3.140 1 0 KGAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C(C)C)c1 ZINC000003834157 561683735 /nfs/dbraw/zinc/68/37/35/561683735.db2.gz OBICCCFHLMVXDQ-MHZLTWQESA-N 1 0 619.854 3.334 1 0 KGAFRO CCCCNC(=O)[C@@H](C[C@H](O)[C@@H]([NH3+])CC(C)(C)CC(=O)N1C[C@H](NC(=O)OC)Cc2ccccc21)C(C)C ZINC000003929206 561687036 /nfs/dbraw/zinc/68/70/36/561687036.db2.gz UBIZUKGLAHGVAL-FVEXOFTDSA-N 1 0 532.726 3.374 1 0 KGAFRO CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5ccc[n+](C)c5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O ZINC000003929394 561687101 /nfs/dbraw/zinc/68/71/01/561687101.db2.gz DMGHSMMQEUIYAK-QQJWEHFTSA-N 1 0 598.669 3.185 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 ZINC000003930366 561687267 /nfs/dbraw/zinc/68/72/67/561687267.db2.gz RWJPHGJNZTXMGR-FBQZJRKBSA-N 1 0 515.695 3.269 1 0 KGAFRO C[NH2+]C1CCN(C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSC)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)OC(C)C)CC1 ZINC000003930631 561687339 /nfs/dbraw/zinc/68/73/39/561687339.db2.gz QGEPSKOURWVCMJ-BTURHGITSA-N 1 0 646.895 3.061 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12 ZINC000003930686 561687324 /nfs/dbraw/zinc/68/73/24/561687324.db2.gz LQBLSQUSWJJCSP-XRTFMURDSA-N 1 0 557.732 3.242 1 0 KGAFRO COC(=O)c1nc(Cl)c(N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)[C@H]2CCOC2)nc1N ZINC000003931516 561687511 /nfs/dbraw/zinc/68/75/11/561687511.db2.gz LCKITJOWWCXRAD-DCZJRQIWSA-N 1 0 714.308 3.200 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)CC2)cc1 ZINC000003933985 561688154 /nfs/dbraw/zinc/68/81/54/561688154.db2.gz KSVPPPPQZURBAT-URLMMPGGSA-N 1 0 654.834 3.059 1 0 KGAFRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000003933986 561688245 /nfs/dbraw/zinc/68/82/45/561688245.db2.gz GMQUVXSLXJHXLX-URLMMPGGSA-N 1 0 639.819 3.252 1 0 KGAFRO NC(=O)CN(CCc1ccc(O)cc1)C(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)C[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000003935480 561688346 /nfs/dbraw/zinc/68/83/46/561688346.db2.gz XIYXIBKKOHEHTJ-UHFFFAOYSA-N 1 0 622.722 3.428 1 0 KGAFRO Cn1cc(NC(=O)c2cc3ccccc3cn2)cc1C(=O)Nc1ccc(C(=O)Nc2cn(C)c(C(=O)NCC[NH+]3CCC(O)CC3)n2)cc1 ZINC000003940082 561689181 /nfs/dbraw/zinc/68/91/81/561689181.db2.gz BLNYVDXABPBMFQ-UHFFFAOYSA-N 1 0 663.739 3.250 1 0 KGAFRO COc1c(I)cc(C[C@H]2[NH2+]CCc3nc(N)sc32)cc1I ZINC000003940887 561689308 /nfs/dbraw/zinc/68/93/08/561689308.db2.gz OIXLSYRKUYDFOB-LLVKDONJSA-N 1 0 527.169 3.373 1 0 KGAFRO CCOC(=O)N1CCC([NH2+][C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@@H]32)OCO4)CC1 ZINC000003943682 561689687 /nfs/dbraw/zinc/68/96/87/561689687.db2.gz DUMFAXPMUDPKMH-QNMIOERPSA-N 1 0 554.596 3.324 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000003944633 561689790 /nfs/dbraw/zinc/68/97/90/561689790.db2.gz LQBLSQUSWJJCSP-UZIBIQIJSA-N 1 0 557.732 3.242 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1 ZINC000003944634 561689717 /nfs/dbraw/zinc/68/97/17/561689717.db2.gz RWJPHGJNZTXMGR-GKLJYDMOSA-N 1 0 515.695 3.269 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCCC(N)=O)C(C)C)C(C)C)ccc1OC ZINC000003946137 561689880 /nfs/dbraw/zinc/68/98/80/561689880.db2.gz LMCVDCIHZUTNIB-QORCZRPOSA-N 1 0 537.742 3.048 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCC(=O)N(C)C)C(C)C)C(C)C)ccc1OC ZINC000003946139 561689885 /nfs/dbraw/zinc/68/98/85/561689885.db2.gz HBTLHUNAYHJKLO-CQJMVLFOSA-N 1 0 551.769 3.260 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)N[C@H](C)CC(N)=O)C(C)C)C(C)C)ccc1OC ZINC000003946140 561689892 /nfs/dbraw/zinc/68/98/92/561689892.db2.gz LZIGDCSWGKQHTD-JFOHGXHASA-N 1 0 537.742 3.046 1 0 KGAFRO CCC1=C(C(N)=O)[C@@H](c2ccc(F)c(F)c2)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 ZINC000003946766 561690151 /nfs/dbraw/zinc/69/01/51/561690151.db2.gz YCUQRVLXIFFFNB-RUZDIDTESA-N 1 0 583.636 3.487 1 0 in-vivo KGAFRO COC(=O)C1(c2ccccc2)CC[NH+](CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000003952731 561690691 /nfs/dbraw/zinc/69/06/91/561690691.db2.gz KSCNWOYWUOCFLO-DEOSSOPVSA-N 1 0 568.577 3.149 1 0 KGAFRO COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1csc(C(N)=[NH2+])c1)C(c1ccccc1)c1ccccc1 ZINC000003976740 561692058 /nfs/dbraw/zinc/69/20/58/561692058.db2.gz JIOYYUTWFZPXGR-XUZZJYLKSA-N 1 0 533.654 3.196 1 0 KGAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000003976775 561692036 /nfs/dbraw/zinc/69/20/36/561692036.db2.gz LHLMXUIIDZMSKK-NRFANRHFSA-N 1 0 506.569 3.241 1 0 KGAFRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O ZINC000003979945 561692349 /nfs/dbraw/zinc/69/23/49/561692349.db2.gz QBBPIOZJQQZCKA-YRCZKMHPSA-N 1 0 607.755 3.278 1 0 KGAFRO COc1cccc(-c2nc3c(C(N)=O)c(Nc4cc(OC)cc(OC)c4)nc(N[C@H]4CCCC[C@H]4[NH3+])n3n2)c1 ZINC000003987618 561693043 /nfs/dbraw/zinc/69/30/43/561693043.db2.gz QQVFMNGYKNAGOD-RTWAWAEBSA-N 1 0 532.605 3.341 1 0 KGAFRO COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3[NH3+])n3nc(-c4ccccc4)nc3c2C(N)=O)cc(OC)c1 ZINC000003987620 561692997 /nfs/dbraw/zinc/69/29/97/561692997.db2.gz QMTFEPLRHYDWQT-UXHICEINSA-N 1 0 502.579 3.333 1 0 KGAFRO COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3[NH3+])n3nc(-c4cccc(O)c4)nc3c2C(N)=O)cc(OC)c1 ZINC000003987625 561693004 /nfs/dbraw/zinc/69/30/04/561693004.db2.gz JQVIBYQWWUOARA-UXHICEINSA-N 1 0 518.578 3.038 1 0 KGAFRO O=S(=O)(c1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCOCC1 ZINC000003989230 561693168 /nfs/dbraw/zinc/69/31/68/561693168.db2.gz GUDCLNZMDLKVIJ-LJAQVGFWSA-N 1 0 564.745 3.128 1 0 KGAFRO O=C1CNC(=O)N1c1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1 ZINC000003989497 561693170 /nfs/dbraw/zinc/69/31/70/561693170.db2.gz XEPFQMJBOITFNS-SANMLTNESA-N 1 0 513.635 3.164 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cn1c(=O)c(NCCc2ccccc2)nc(Cl)c1-c1ccccc1)C(=O)c1nccs1 ZINC000003994483 561693697 /nfs/dbraw/zinc/69/36/97/561693697.db2.gz SDJCPIWSKUPZHH-NRFANRHFSA-N 1 0 607.140 3.306 1 0 KGAFRO CC(=[NH2+])N1CCC(Oc2ccc3c(c2)C[C@H](c2ccc4ccc(C(N)=[NH2+])cc4c2)N3S(=O)(=O)CC(=O)[O-])CC1 ZINC000003995071 561693737 /nfs/dbraw/zinc/69/37/37/561693737.db2.gz QAMUTWCSNLVAPY-AREMUKBSSA-N 1 0 549.653 3.482 1 0 KGAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH+](C)C)[C@H](C(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000004098479 561693900 /nfs/dbraw/zinc/69/39/00/561693900.db2.gz OMVRKRVDDRUXPW-RJJCKBEYSA-N 1 0 500.684 3.183 1 0 in-vitro KGAFRO CC[C@H](C)[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@H]1C(C)C)[NH+](C)C ZINC000004098489 560195786 /nfs/dbraw/zinc/19/57/86/560195786.db2.gz ULQXKOIGVXLOOC-RJJCKBEYSA-N 1 0 500.684 3.183 1 0 in-vitro KGAFRO CNC(=O)NCc1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)C(C)(C)[NH3+])C2=O)cc1 ZINC000004383765 561694775 /nfs/dbraw/zinc/69/47/75/561694775.db2.gz DIWDGCJUJQGVOU-RUZDIDTESA-N 1 0 513.642 3.484 1 0 KGAFRO CCOc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCC[NH+](CC)CC)cc2c1 ZINC000006193061 561702798 /nfs/dbraw/zinc/70/27/98/561702798.db2.gz YYASMDQFYHKYJI-UHFFFAOYSA-N 1 0 517.740 3.058 1 0 KGAFRO COc1cccc(OC)c1CNC(=O)Cc1cccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1 ZINC000006717999 561703125 /nfs/dbraw/zinc/70/31/25/561703125.db2.gz RFMOABPNHFLKFM-BCHFMIIMSA-N 1 0 508.615 3.015 1 0 KGAFRO C[NH2+][C@@](CO)(COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)Cc1ccccc1 ZINC000006733377 561703271 /nfs/dbraw/zinc/70/32/71/561703271.db2.gz DUXYVWLGBFHNLM-OLILMLBXSA-N 1 0 571.671 3.063 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2C[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000008035464 561704421 /nfs/dbraw/zinc/70/44/21/561704421.db2.gz QWAXKHKRTORLEM-KUIYVKTLSA-N 1 0 670.855 3.092 1 0 KGAFRO Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)N[C@@H]5CC[N@H+](Cc6ccccc6)C5)cs4)CC3)c(C)n2n1 ZINC000008675930 561706612 /nfs/dbraw/zinc/70/66/12/561706612.db2.gz UBYDKOVBKXBBGQ-JOCHJYFZSA-N 1 0 544.685 3.222 1 0 KGAFRO Cc1cc2nnc(C(=O)N3CCC(c4nc(C(=O)N[C@H]5CC[N@H+](Cc6ccccc6)C5)cs4)CC3)c(C)n2n1 ZINC000008675931 561706619 /nfs/dbraw/zinc/70/66/19/561706619.db2.gz UBYDKOVBKXBBGQ-QFIPXVFZSA-N 1 0 544.685 3.222 1 0 KGAFRO C[C@@H]1C[C@H]([NH+](C)C)[C@@H](O)[C@H](O[C@@H]2[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@H](CCNC(=O)Cc3cccc(-c4ccco4)c3)[C@@]3(C)OC(=O)N[C@@H]3[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O1 ZINC000009575012 561709099 /nfs/dbraw/zinc/70/90/99/561709099.db2.gz DMSLVPBURQTCAM-YIGCMJQASA-N 1 0 797.943 3.423 1 0 KGAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[NH2+]C2CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 ZINC000010339581 561709325 /nfs/dbraw/zinc/70/93/25/561709325.db2.gz VPNIQGRFZCTBEZ-AUDJAPFVSA-N 1 0 578.735 3.027 1 0 KGAFRO NC(=[NH2+])c1cccc(C(=CC(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)Cc2cc[nH]n2)c1 ZINC000013442357 561712886 /nfs/dbraw/zinc/71/28/86/561712886.db2.gz RENRTPDPFRTGRD-SILNSSARSA-N 1 0 500.584 3.273 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1nc2ccccc2[nH]1 ZINC000013472299 561714212 /nfs/dbraw/zinc/71/42/12/561714212.db2.gz DANFDLDCLSODGV-IGKIAQTJSA-N 1 0 511.626 3.068 1 0 KGAFRO Cn1nnc(Cc2ccc3c(c2)c(C2CC[NH+](CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1 ZINC000013477161 561714800 /nfs/dbraw/zinc/71/48/00/561714800.db2.gz FGHKCRNDQSRICR-UHFFFAOYSA-N 1 0 502.598 3.089 1 0 KGAFRO NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C(F)=C(c2cccc(C(=[NH2+])NO)c2)n2cccn2)cc1 ZINC000013487208 561715153 /nfs/dbraw/zinc/71/51/53/561715153.db2.gz QINAPCRWGCPUAF-FCQUAONHSA-N 1 0 520.546 3.327 1 0 KGAFRO CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)c1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000013487648 561715263 /nfs/dbraw/zinc/71/52/63/561715263.db2.gz NEADDJFFXHODFW-UHFFFAOYSA-N 1 0 508.625 3.404 1 0 KGAFRO CCCC[N@@H+]1CC[C@@H](N2CC(=O)N3[C@H](Cc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)C2=O)C1 ZINC000013489198 561715597 /nfs/dbraw/zinc/71/55/97/561715597.db2.gz GAKHBMFZNOOAIA-RRBBIIPZSA-N 1 0 500.599 3.456 1 0 KGAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCCCCCO)nc(Cl)c2-c2ccccc2)cc1 ZINC000013527044 561717314 /nfs/dbraw/zinc/71/73/14/561717314.db2.gz UCXIDRXUYGEBNH-UHFFFAOYSA-N 1 0 511.026 3.129 1 0 KGAFRO O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C[NH2+]CCCOc2ccc(Cl)cc2CN1 ZINC000013537335 561717983 /nfs/dbraw/zinc/71/79/83/561717983.db2.gz XJAFWSHUDKSCOF-FQEVSTJZSA-N 1 0 516.429 3.262 1 0 KGAFRO O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C[NH2+]CCCCCOc2ccccc2CN1 ZINC000013537338 561717981 /nfs/dbraw/zinc/71/79/81/561717981.db2.gz QZIXPYQULZYTPK-QFIPXVFZSA-N 1 0 510.038 3.389 1 0 KGAFRO CCCOc1ccccc1N1CCN(Cc2nc3c(cccc3C(=O)N[C@@H]3C[NH+]4CCC3CC4)[nH]2)CC1 ZINC000013539207 561718227 /nfs/dbraw/zinc/71/82/27/561718227.db2.gz BCVLPDNMZNZKHT-XMMPIXPASA-N 1 0 502.663 3.498 1 0 KGAFRO CCCOc1ccccc1N1CCN(Cc2nc3c(cccc3C(=O)N[C@H]3C[NH+]4CCC3CC4)[nH]2)CC1 ZINC000013539210 561718205 /nfs/dbraw/zinc/71/82/05/561718205.db2.gz BCVLPDNMZNZKHT-DEOSSOPVSA-N 1 0 502.663 3.498 1 0 KGAFRO CC(C)Oc1ccccc1N1CCN(Cc2nc3c(cccc3C(=O)N[C@@H]3C[NH+]4CCC3CC4)[nH]2)CC1 ZINC000013539213 561718222 /nfs/dbraw/zinc/71/82/22/561718222.db2.gz OHAHRRHFJYKMIV-XMMPIXPASA-N 1 0 502.663 3.496 1 0 KGAFRO CC(C)Oc1ccccc1N1CCN(Cc2nc3c(cccc3C(=O)N[C@H]3C[NH+]4CCC3CC4)[nH]2)CC1 ZINC000013539216 561718166 /nfs/dbraw/zinc/71/81/66/561718166.db2.gz OHAHRRHFJYKMIV-DEOSSOPVSA-N 1 0 502.663 3.496 1 0 KGAFRO COc1ccc(CNC(=O)c2[nH]c3ccc(CCN4C(=O)NC(C)(C)C4=O)cc3c2CC[NH+](C)C)cc1 ZINC000013557192 561718829 /nfs/dbraw/zinc/71/88/29/561718829.db2.gz HPLSXVPKLCAXTL-UHFFFAOYSA-N 1 0 505.619 3.084 1 0 KGAFRO COc1cccc(CNC(=O)c2[nH]c3ccc(CCN4C(=O)NC(C)(C)C4=O)cc3c2CC[NH+](C)C)c1 ZINC000013557199 561718921 /nfs/dbraw/zinc/71/89/21/561718921.db2.gz NQNTTYBZOAGTAD-UHFFFAOYSA-N 1 0 505.619 3.084 1 0 KGAFRO CC(=O)Nc1cccc(CNC(=O)c2[nH]c3ccc(CCN4C(=O)NC(C)(C)C4=O)cc3c2CC[NH+](C)C)c1 ZINC000013557210 561718949 /nfs/dbraw/zinc/71/89/49/561718949.db2.gz DQSSWUOTGYWGSE-UHFFFAOYSA-N 1 0 532.645 3.033 1 0 KGAFRO CC(=O)Nc1ccccc1CNC(=O)c1[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc2c1CC[NH+](C)C ZINC000013557211 561718872 /nfs/dbraw/zinc/71/88/72/561718872.db2.gz MAVDIJHEWVTCTC-UHFFFAOYSA-N 1 0 532.645 3.033 1 0 KGAFRO O=C(c1ccco1)N1CCN(c2ccc(=O)n(CCCC[NH+]3CCN(c4ccccc4Cl)CC3)n2)CC1 ZINC000013558464 561719277 /nfs/dbraw/zinc/71/92/77/561719277.db2.gz ZNFGWKYVUXVJNC-UHFFFAOYSA-N 1 0 525.053 3.055 1 0 KGAFRO COc1ccccc1N1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(Cl)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000013583194 561720337 /nfs/dbraw/zinc/72/03/37/561720337.db2.gz OLGPTESPJQDMGI-HSZRJFAPSA-N 1 0 524.065 3.300 1 0 KGAFRO COc1ccccc1N1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(Cl)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000013583198 561720322 /nfs/dbraw/zinc/72/03/22/561720322.db2.gz OLGPTESPJQDMGI-QHCPKHFHSA-N 1 0 524.065 3.300 1 0 KGAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000013587805 561720907 /nfs/dbraw/zinc/72/09/07/561720907.db2.gz MAGRLZJKAKKHGG-HSZRJFAPSA-N 1 0 501.075 3.197 1 0 KGAFRO C[NH2+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000013587806 561720912 /nfs/dbraw/zinc/72/09/12/561720912.db2.gz NGEJNNUETPNCPF-XMMPIXPASA-N 1 0 515.102 3.458 1 0 KGAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)C1C[NH2+]C1 ZINC000013587810 561720867 /nfs/dbraw/zinc/72/08/67/561720867.db2.gz KHNQSRNCDZKWEG-XMMPIXPASA-N 1 0 513.086 3.068 1 0 KGAFRO CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC[NH+]1CCN(C(C)=O)CC1)CCCC3)C(=O)N2 ZINC000013588491 561721006 /nfs/dbraw/zinc/72/10/06/561721006.db2.gz IYRNJHJVYCVQQA-MOHJPFBDSA-N 1 0 524.687 3.277 1 0 KGAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(C4CC4)n3)c(F)c2)CC1 ZINC000013589355 561721233 /nfs/dbraw/zinc/72/12/33/561721233.db2.gz UTZKLFQVMQRYFM-GOSISDBHSA-N 1 0 525.581 3.468 1 0 KGAFRO CCc1nc(-c2ccc(OCCC[N@@H+]3CCCN(C(=O)[C@@H](C)NC(=O)c4ccco4)CC3)cc2F)no1 ZINC000013589356 561721141 /nfs/dbraw/zinc/72/11/41/561721141.db2.gz JIOYUZWMHSSLSD-GOSISDBHSA-N 1 0 513.570 3.153 1 0 KGAFRO CC(=O)N[C@H](C)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000013589362 561721324 /nfs/dbraw/zinc/72/13/24/561721324.db2.gz UTOYDNPOAJAXFI-LJQANCHMSA-N 1 0 515.630 3.436 1 0 KGAFRO COc1cccc(N2CCN(C(=O)COc3ccc4cccc(N5CC[NH+](C)CC5)c4c3)CC2)c1OC ZINC000013606640 561721697 /nfs/dbraw/zinc/72/16/97/561721697.db2.gz JHJZWCFGCZBIET-UHFFFAOYSA-N 1 0 504.631 3.336 1 0 KGAFRO C[NH+]1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5cccc6c5OCCO6)CC4)cc32)CC1 ZINC000013606643 561721776 /nfs/dbraw/zinc/72/17/76/561721776.db2.gz ZKDTULNFGWCQJA-UHFFFAOYSA-N 1 0 502.615 3.090 1 0 KGAFRO C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCOC)C(=O)c1nc2ccccc2s1 ZINC000013612371 561722046 /nfs/dbraw/zinc/72/20/46/561722046.db2.gz HZJXAXRMAPNSCH-ZRBLBEILSA-N 1 0 522.671 3.212 1 0 KGAFRO [NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@]1(O)c2cccnc2-c2ccc(Cl)cc21 ZINC000013641403 561722094 /nfs/dbraw/zinc/72/20/94/561722094.db2.gz JOISFXBHQMBJET-NVQXNPDNSA-N 1 0 511.409 3.371 1 0 KGAFRO [NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@]1(O)c2cccnc2-c2ccc(Cl)cc21 ZINC000013641406 561722152 /nfs/dbraw/zinc/72/21/52/561722152.db2.gz JOISFXBHQMBJET-BKMJKUGQSA-N 1 0 511.409 3.371 1 0 KGAFRO CC(C)C[NH+]1CCC(NS(=O)(=O)c2ccc(N(C)C(=O)/C=C/c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000013650018 561722816 /nfs/dbraw/zinc/72/28/16/561722816.db2.gz BQHLYDIZEQBTNG-VGOFMYFVSA-N 1 0 533.716 3.165 1 0 KGAFRO COc1ccc(C(=O)OCC[N@H+](C)CCOC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1OC ZINC000013676189 561724072 /nfs/dbraw/zinc/72/40/72/561724072.db2.gz LOUNQSFGLZLKBD-DHZHZOJOSA-N 1 0 533.574 3.083 1 0 KGAFRO COc1cc(/C=C/C(=O)OCC[N@H+](C)CCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000013676191 561724046 /nfs/dbraw/zinc/72/40/46/561724046.db2.gz OQJUECBOQSHHEM-CMDGGOBGSA-N 1 0 533.574 3.083 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1nc2ccccc2n1C ZINC000013677761 561724325 /nfs/dbraw/zinc/72/43/25/561724325.db2.gz SMTPLKRKLRVDQP-IGKIAQTJSA-N 1 0 511.626 3.035 1 0 KGAFRO Cc1ccc(S(=O)(=O)NCCCC[NH+]2CCN(c3cccc(NS(=O)(=O)C(C)C)c3)CC2)cc1 ZINC000013703816 561724914 /nfs/dbraw/zinc/72/49/14/561724914.db2.gz ZMFVNZUAHQQACM-UHFFFAOYSA-N 1 0 508.710 3.026 1 0 KGAFRO COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC([NH+](C)C)CC1)C(C)=O ZINC000013746504 561726733 /nfs/dbraw/zinc/72/67/33/561726733.db2.gz PSVBEJHDFMPFJD-RUZDIDTESA-N 1 0 519.690 3.279 1 0 KGAFRO COc1ccccc1CN(C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC([NH+](C)C)CC1)C(C)=O ZINC000013746506 561726698 /nfs/dbraw/zinc/72/66/98/561726698.db2.gz PSVBEJHDFMPFJD-VWLOTQADSA-N 1 0 519.690 3.279 1 0 KGAFRO CCN(CC)C(=O)CN1c2ccccc2C(c2cccc[n+]2C)=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O ZINC000013763996 561728314 /nfs/dbraw/zinc/72/83/14/561728314.db2.gz VIVLXTDPYQSRTM-MHZLTWQESA-O 1 0 513.622 3.020 1 0 KGAFRO CNC(=O)c1cnc2c(c(C)nn2C)c1NCCC[NH+]1CCN(c2ccccc2OCC(F)(F)F)CC1 ZINC000013764595 561728271 /nfs/dbraw/zinc/72/82/71/561728271.db2.gz BOCOQKWHWGXVMJ-UHFFFAOYSA-N 1 0 519.572 3.202 1 0 KGAFRO Cc1nn(C)c2ncc(C(=O)N(C)C)c(NCCC[NH+]3CCN(c4ccc(F)cc4-c4ncco4)CC3)c12 ZINC000013764603 561728275 /nfs/dbraw/zinc/72/82/75/561728275.db2.gz FPZDPICFUSMQDJ-UHFFFAOYSA-N 1 0 520.613 3.397 1 0 KGAFRO CCOC(=O)CC1CCN(C(=O)C(C)(C)[C@@H](CC)NC(=O)c2ccc(C(=[NH2+])N3CCOCC3)cc2F)CC1 ZINC000013779891 561728935 /nfs/dbraw/zinc/72/89/35/561728935.db2.gz BCMLZQVZOQFOSL-HSZRJFAPSA-N 1 0 532.657 3.210 1 0 KGAFRO CCOC(=O)CC1CCN(C(=O)C(C)(C)[C@H](CC)NC(=O)c2ccc(C(=[NH2+])N3CCOCC3)cc2F)CC1 ZINC000013779892 561728902 /nfs/dbraw/zinc/72/89/02/561728902.db2.gz BCMLZQVZOQFOSL-QHCPKHFHSA-N 1 0 532.657 3.210 1 0 KGAFRO CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)[NH3+])C1 ZINC000013780011 561728909 /nfs/dbraw/zinc/72/89/09/561728909.db2.gz QNGCLIBDFQODIR-FYBSXPHGSA-N 1 0 518.658 3.347 1 0 KGAFRO CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1cccc(C[NH3+])c1)[C@H](Cc1ccccc1)C(N)=O ZINC000013781189 561729340 /nfs/dbraw/zinc/72/93/40/561729340.db2.gz DVTJSYMMQKACDP-VSGBNLITSA-N 1 0 508.622 3.195 1 0 KGAFRO COc1ccc(NS(=O)(=O)c2cc(I)ccc2C)cc1N1CC[NH+](C)CC1 ZINC000013782732 561729827 /nfs/dbraw/zinc/72/98/27/561729827.db2.gz LVFWTBJPVUYJFU-UHFFFAOYSA-N 1 0 501.390 3.161 1 0 KGAFRO COC(=O)C[C@@]1(C(=O)Nc2ccc(-c3ccccc3C(=O)OC)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799295 561730310 /nfs/dbraw/zinc/73/03/10/561730310.db2.gz KCQKMTHGFMWUGY-MUUNZHRXSA-N 1 0 514.538 3.489 1 0 KGAFRO COC(=O)C[C@]1(C(=O)Nc2ccc(-c3ccccc3C(=O)OC)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000013799298 561730302 /nfs/dbraw/zinc/73/03/02/561730302.db2.gz KCQKMTHGFMWUGY-NDEPHWFRSA-N 1 0 514.538 3.489 1 0 KGAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000013802258 561730805 /nfs/dbraw/zinc/73/08/05/561730805.db2.gz LXRTYSPGPRSKRZ-XMMPIXPASA-N 1 0 527.572 3.400 1 0 KGAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000013802260 561730825 /nfs/dbraw/zinc/73/08/25/561730825.db2.gz LXRTYSPGPRSKRZ-DEOSSOPVSA-N 1 0 527.572 3.400 1 0 KGAFRO CS(=O)(=O)NC[C@H](NC1CC[NH+](CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1 ZINC000013802547 561730781 /nfs/dbraw/zinc/73/07/81/561730781.db2.gz CQARNQWLMLZWRS-MHZLTWQESA-N 1 0 521.691 3.026 1 0 KGAFRO O=c1nc2[nH]c3ccc(OCCCc4nnnn4C4CC[NH+](Cc5ccc(F)cc5)CC4)cc3cc-2[nH]1 ZINC000013833432 561733819 /nfs/dbraw/zinc/73/38/19/561733819.db2.gz JPTSXECDLXVSLG-UHFFFAOYSA-N 1 0 502.554 3.379 1 0 KGAFRO CN(C(=O)/C=C/C(=O)NCCC[NH+](C)C)c1cc2c(cn1)ncnc2Nc1cccc(Br)c1 ZINC000013861832 561734758 /nfs/dbraw/zinc/73/47/58/561734758.db2.gz NXHJGHKRQJSQMH-CMDGGOBGSA-N 1 0 512.412 3.118 1 0 KGAFRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(-n3nnnc3C(F)(F)F)ccc2OC)[C@H](c2ccccc2)C1 ZINC000013975351 561735852 /nfs/dbraw/zinc/73/58/52/561735852.db2.gz LAPDOBVFPRPNFV-PMACEKPBSA-N 1 0 503.529 3.367 1 0 KGAFRO CCNC(=O)N1CC[C@H]([NH2+]Cc2cc(-n3nnnc3C(F)(F)F)cc3c2OCC3)[C@H](c2ccccc2)C1 ZINC000013975359 561735880 /nfs/dbraw/zinc/73/58/80/561735880.db2.gz KFUPBBFSUUJFFY-SFTDATJTSA-N 1 0 515.540 3.293 1 0 KGAFRO COCCOc1ccc(C2CC[NH+](CCn3cnc4c5nc(-c6ccco6)nn5c(N)nc43)CC2)cc1 ZINC000013983487 561735978 /nfs/dbraw/zinc/73/59/78/561735978.db2.gz HYPCCOLGSMPPRJ-UHFFFAOYSA-N 1 0 502.579 3.221 1 0 KGAFRO O=S1(=O)CCc2ccc(CCCCOCCCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)cc21 ZINC000013983855 561736000 /nfs/dbraw/zinc/73/60/00/561736000.db2.gz UWGUEILEOYAYSM-SANMLTNESA-N 1 0 505.677 3.437 1 0 KGAFRO COc1c(I)cc(C[C@@H]2[NH2+]CCc3nc(N)sc32)cc1I ZINC000014114387 561736700 /nfs/dbraw/zinc/73/67/00/561736700.db2.gz OIXLSYRKUYDFOB-NSHDSACASA-N 1 0 527.169 3.373 1 0 KGAFRO Cc1ccccc1N1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(I)cc3)c3c2CCN(C(N)=O)C3)CC1 ZINC000014141621 561737024 /nfs/dbraw/zinc/73/70/24/561737024.db2.gz WNGWMWWYOSHKHO-QFIPXVFZSA-N 1 0 600.505 3.083 1 0 KGAFRO COc1ccc(-n2nnnc2C(F)(F)F)cc1C[NH2+][C@H]1CCN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1c1ccccc1 ZINC000014176509 561737298 /nfs/dbraw/zinc/73/72/98/561737298.db2.gz NFQHQAUXILELGX-DQEYMECFSA-N 1 0 585.631 3.423 1 0 KGAFRO C[NH2+][C@](CO)(COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)Cc1ccccc1 ZINC000014208583 561737751 /nfs/dbraw/zinc/73/77/51/561737751.db2.gz DUXYVWLGBFHNLM-ACSYHNTCSA-N 1 0 571.671 3.063 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)N[C@@H](C)CC(N)=O)C(C)C)C(C)C)ccc1OC ZINC000014294425 561739368 /nfs/dbraw/zinc/73/93/68/561739368.db2.gz LZIGDCSWGKQHTD-NPJMLQJUSA-N 1 0 537.742 3.046 1 0 KGAFRO CCC1=C(C(N)=O)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 ZINC000014294862 561739462 /nfs/dbraw/zinc/73/94/62/561739462.db2.gz YCUQRVLXIFFFNB-VWLOTQADSA-N 1 0 583.636 3.487 1 0 in-vivo KGAFRO CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(-c4ccc[n+](C)c4)oc(=O)c3[C@H](O)[C@H]21 ZINC000014299899 561739558 /nfs/dbraw/zinc/73/95/58/561739558.db2.gz DMGHSMMQEUIYAK-MQGVRPCUSA-N 1 0 598.669 3.185 1 0 KGAFRO CC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5ccc[n+](C)c5)oc(=O)c4[C@H](O)[C@H]3[C@@]2(C)CC[C@@H]1OC(C)=O ZINC000014299900 561739582 /nfs/dbraw/zinc/73/95/82/561739582.db2.gz DMGHSMMQEUIYAK-OSERXXESSA-N 1 0 598.669 3.185 1 0 KGAFRO CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]3[C@@H](O)c4c(cc(-c5ccc[n+](C)c5)oc4=O)O[C@]3(C)[C@@H](OC(C)=O)C[C@H]12 ZINC000014299901 561739612 /nfs/dbraw/zinc/73/96/12/561739612.db2.gz DMGHSMMQEUIYAK-QIEGGUOOSA-N 1 0 598.669 3.185 1 0 KGAFRO CC[C@H](C)[C@H](C(=O)N[C@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C)[NH+](C)C ZINC000014693313 291782725 /nfs/dbraw/zinc/78/27/25/291782725.db2.gz PFSHVBJLBKINQV-ZKRYATBVSA-N 1 0 534.701 3.379 1 0 biogenic,in-vitro KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C ZINC000014881281 561740025 /nfs/dbraw/zinc/74/00/25/561740025.db2.gz QKPXPZYQPBWDHS-MCJAPYMPSA-N 1 0 534.701 3.368 1 0 in-vivo KGAFRO CC(C)C[C@H](C(=O)N[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C)[NH+](C)C ZINC000014884461 561740076 /nfs/dbraw/zinc/74/00/76/561740076.db2.gz KNWLTQIEQCDNSD-NQLYHHMXSA-N 1 0 534.701 3.379 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1C=CCOC1 ZINC000014942899 561740469 /nfs/dbraw/zinc/74/04/69/561740469.db2.gz LYPBPTICLJCIAA-HBEKHWMPSA-N 1 0 527.706 3.435 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C=CCOC1 ZINC000014942901 561740464 /nfs/dbraw/zinc/74/04/64/561740464.db2.gz LYPBPTICLJCIAA-YECVLQETSA-N 1 0 527.706 3.435 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC12CCOC1OCC2 ZINC000014943075 561740814 /nfs/dbraw/zinc/74/08/14/561740814.db2.gz ACUPOAMDZYDNCK-WZVTUQSJSA-N 1 0 557.732 3.386 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2CCO[C@H]12 ZINC000014943077 561740727 /nfs/dbraw/zinc/74/07/27/561740727.db2.gz UADOOGITMYZIDM-QHVVJTBISA-N 1 0 557.732 3.037 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1cccc(O)c1)NC(=O)OC(C)(C)C ZINC000014943106 561740852 /nfs/dbraw/zinc/74/08/52/561740852.db2.gz KOHJMQXAUBCBFT-QEGGNFSNSA-N 1 0 559.704 3.275 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000014943107 561740906 /nfs/dbraw/zinc/74/09/06/561740906.db2.gz WAQDMMDIFOJGCP-IHBRBHLJSA-N 1 0 559.704 3.275 1 0 KGAFRO C[C@@H](O)COc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000014943110 561740918 /nfs/dbraw/zinc/74/09/18/561740918.db2.gz SPEPPPKXFJRIFN-VUGKQVTMSA-N 1 0 617.784 3.329 1 0 KGAFRO C[C@H](O)COc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000014943111 561740878 /nfs/dbraw/zinc/74/08/78/561740878.db2.gz SPEPPPKXFJRIFN-AVFWISQGSA-N 1 0 617.784 3.329 1 0 KGAFRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@H](c1cc2ccccc2[nH]1)c1ccccc1 ZINC000014943221 561741107 /nfs/dbraw/zinc/74/11/07/561741107.db2.gz PMFRGRJAWCHTET-DUHIPYBCSA-N 1 0 569.706 3.094 1 0 KGAFRO C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)N[C@@H](c1cc2ccccc2[nH]1)c1ccccc1 ZINC000014943222 561741129 /nfs/dbraw/zinc/74/11/29/561741129.db2.gz PMFRGRJAWCHTET-TWRHIWMGSA-N 1 0 569.706 3.094 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C ZINC000014943227 561741153 /nfs/dbraw/zinc/74/11/53/561741153.db2.gz QVGOLNUEBCOLGS-QEGGNFSNSA-N 1 0 559.704 3.275 1 0 KGAFRO CC(C)(C)NC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000014943232 561741121 /nfs/dbraw/zinc/74/11/21/561741121.db2.gz QPXSFMLHUCDSGF-QEGGNFSNSA-N 1 0 542.721 3.143 1 0 KGAFRO CC(=O)NCc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000014943365 561741467 /nfs/dbraw/zinc/74/14/67/561741467.db2.gz JINBNBDWOWBTIS-KVUXJRKHSA-N 1 0 616.759 3.052 1 0 KGAFRO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H](Cc1cccc(-c2ccccc2)c1)C(N)=O ZINC000014945945 561743469 /nfs/dbraw/zinc/74/34/69/561743469.db2.gz HUPMEFWUWBYIQC-YRCZKMHPSA-N 1 0 607.755 3.278 1 0 KGAFRO CC(C)C[N@H+](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)[C@@]1(C)C(=O)Nc2ccccc21 ZINC000014946406 561743706 /nfs/dbraw/zinc/74/37/06/561743706.db2.gz TVXXCEMEGNEGDU-RKXIUHAJSA-N 1 0 537.657 3.272 1 0 KGAFRO CC(C)C[N@H+](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)[C@]1(C)C(=O)Nc2ccccc21 ZINC000014946407 561743685 /nfs/dbraw/zinc/74/36/85/561743685.db2.gz TVXXCEMEGNEGDU-BQHYLKNRSA-N 1 0 537.657 3.272 1 0 KGAFRO CC(C)C[N@H+](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)[C@]1(C)c2ccccc2N(C)C1=O ZINC000014946416 561743865 /nfs/dbraw/zinc/74/38/65/561743865.db2.gz GCGBTQJHRQVAMC-WCWDJGILSA-N 1 0 551.684 3.296 1 0 KGAFRO CC(C)C[N@H+](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)[C@@]1(C)c2ccccc2N(C)C1=O ZINC000014946417 561743897 /nfs/dbraw/zinc/74/38/97/561743897.db2.gz GCGBTQJHRQVAMC-LAPDRWSTSA-N 1 0 551.684 3.296 1 0 KGAFRO O=C(N[C@@H]1CCC[NH2+]C[C@H]1NC(=O)c1ccncc1)c1ccc(C(=O)c2cc(N3CCCCC3)ccc2O)cc1 ZINC000014948574 561744881 /nfs/dbraw/zinc/74/48/81/561744881.db2.gz VXVVBHZWCMDJPJ-KAYWLYCHSA-N 1 0 541.652 3.289 1 0 in-vitro KGAFRO CC(C)N(CC[NH+]1CCCCC1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014950041 561745481 /nfs/dbraw/zinc/74/54/81/561745481.db2.gz XDQOHEUNOFFJAQ-CPJSRVTESA-N 1 0 549.137 3.484 1 0 KGAFRO COc1cc(C)c(S(=O)(=O)NC[C@@H](O)[C@H](Cc2ccccc2)[NH2+]Cc2cc(Cl)ccc2-n2cnnn2)c(C)c1C ZINC000014950194 561745465 /nfs/dbraw/zinc/74/54/65/561745465.db2.gz GHSSNLVCKZBAIY-AZGAKELHSA-N 1 0 585.130 3.290 1 0 KGAFRO NC(=[NH2+])c1cccc(-n2nc(Cn3ccnn3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000014950706 561745768 /nfs/dbraw/zinc/74/57/68/561745768.db2.gz LQFYPYCYEHAMOM-UHFFFAOYSA-N 1 0 502.542 3.387 1 0 KGAFRO CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)C1=CS(=O)(=O)c2ccc(C(N)=[NH2+])cc21 ZINC000014951093 561745848 /nfs/dbraw/zinc/74/58/48/561745848.db2.gz IJAUZAZYLHIGKV-NWSQWKLXSA-N 1 0 509.628 3.196 1 0 KGAFRO CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)C1=CS(=O)(=O)c2ccc(C(N)=[NH2+])cc21 ZINC000014951097 561745891 /nfs/dbraw/zinc/74/58/91/561745891.db2.gz IJAUZAZYLHIGKV-LSWJPFSZSA-N 1 0 509.628 3.196 1 0 KGAFRO CC[C@@H](C)[C@@H]1NC(=O)[C@@H]([NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)OCCCNC1=O ZINC000014954124 561746892 /nfs/dbraw/zinc/74/68/92/561746892.db2.gz RFUKEYSMPSCDLJ-OMNZJWBCSA-N 1 0 596.769 3.114 1 0 KGAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H]([NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)OCCCNC1=O ZINC000014954127 581099299 /nfs/dbraw/zinc/09/92/99/581099299.db2.gz RFUKEYSMPSCDLJ-CLFZCTPNSA-N 1 0 596.769 3.114 1 0 in-vitro KGAFRO NC(=[NH2+])c1ccc(CNC(=O)Cn2c(=O)c(NCCc3ccccc3)nc(Cl)c2-c2cccc(N)c2)cc1 ZINC000014956013 561747641 /nfs/dbraw/zinc/74/76/41/561747641.db2.gz ANQBXKZWDGUESC-UHFFFAOYSA-N 1 0 530.032 3.401 1 0 KGAFRO CS(=O)(=O)Nc1cccc(-c2c(Cl)nc(NCCc3ccccc3)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1 ZINC000014956033 561747639 /nfs/dbraw/zinc/74/76/39/561747639.db2.gz AXZMLQRFBDPEMG-UHFFFAOYSA-N 1 0 608.124 3.190 1 0 KGAFRO CN(c1cc(Cc2ccccc2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)c1)S(C)(=O)=O ZINC000014960396 561748363 /nfs/dbraw/zinc/74/83/63/561748363.db2.gz BWNOBGAXCWKDGO-WUFINQPMSA-N 1 0 521.683 3.127 1 0 KGAFRO CN(c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(C(=O)C2CCCCC2)c1)S(C)(=O)=O ZINC000014960400 561748354 /nfs/dbraw/zinc/74/83/54/561748354.db2.gz JVMKYZPYHJJVGU-RRPNLBNLSA-N 1 0 541.714 3.299 1 0 KGAFRO C[C@@H](NC(=O)c1cc(COC[C@@]([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000014960447 561748344 /nfs/dbraw/zinc/74/83/44/561748344.db2.gz KWOISCWHVUWIQV-NGOKVRLYSA-N 1 0 543.661 3.162 1 0 KGAFRO C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)c1)c1ccc(F)cc1 ZINC000014961368 561748503 /nfs/dbraw/zinc/74/85/03/561748503.db2.gz XMAYUKKFZWBWNS-KHWNGSORSA-N 1 0 582.698 3.142 1 0 KGAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000014961372 561748487 /nfs/dbraw/zinc/74/84/87/561748487.db2.gz MVZMAKPUNIWJGT-IEXUNWISSA-N 1 0 596.725 3.167 1 0 KGAFRO CC[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1 ZINC000014961379 561748482 /nfs/dbraw/zinc/74/84/82/561748482.db2.gz BSKMMOMBNBKWTC-JTOILGAVSA-N 1 0 584.714 3.024 1 0 KGAFRO CCCC[C@H]([NH3+])[C@H](Cc1ccccc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000014961845 561748496 /nfs/dbraw/zinc/74/84/96/561748496.db2.gz NWXMMDTWUBTQIQ-AWDZXFJFSA-N 1 0 501.697 3.404 1 0 KGAFRO CCCC[C@H]([NH3+])[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000014961854 561748492 /nfs/dbraw/zinc/74/84/92/561748492.db2.gz MSSOOXCWRUWADA-CZGNIMDHSA-N 1 0 507.726 3.465 1 0 in-vitro KGAFRO CCCC[C@H]([NH3+])[C@H](Cc1ccccc1)NC(=O)c1cc(N(C)C[C@H]2C[C@@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000014961862 561748489 /nfs/dbraw/zinc/74/84/89/561748489.db2.gz BKPZGMYGZNAAMM-UQAQOTMJSA-N 1 0 515.724 3.428 1 0 KGAFRO CCCN(c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc(N(C)C[C@H]2C[C@@H]2C)n1)S(C)(=O)=O ZINC000014961871 561748563 /nfs/dbraw/zinc/74/85/63/561748563.db2.gz RSJGSKPMYGFGRC-LBVMUVSTSA-N 1 0 501.697 3.038 1 0 KGAFRO CCOC[C@H]([NH3+])[C@H](Cc1ccccc1)NC(=O)c1cc(N(C)C[C@H]2C[C@@H]2C)nc(N(C)S(=O)(=O)C(C)C)c1 ZINC000014961883 561748556 /nfs/dbraw/zinc/74/85/56/561748556.db2.gz XMJFCPSVBYPKJQ-PQVVKJAFSA-N 1 0 545.750 3.053 1 0 KGAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@H](C[NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000014961895 561748547 /nfs/dbraw/zinc/74/85/47/561748547.db2.gz YZEIFYCEDBCRSP-KOSHJBKYSA-N 1 0 526.634 3.012 1 0 KGAFRO CC(C)CNC(=O)C[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1 ZINC000014961899 561748586 /nfs/dbraw/zinc/74/85/86/561748586.db2.gz DBCFJBGCSOIBHU-BTYSJIOQSA-N 1 0 639.794 3.415 1 0 KGAFRO CCNC(=O)[C@H](C)[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1 ZINC000014961903 561748564 /nfs/dbraw/zinc/74/85/64/561748564.db2.gz IMMRYWIKOQDHDP-WENCSYSZSA-N 1 0 625.767 3.168 1 0 KGAFRO CC[C@H]([NH2+]C[C@@H]1Cc2cccc(c2)CCCCc2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(=O)NCC(C)C ZINC000014961976 561748590 /nfs/dbraw/zinc/74/85/90/561748590.db2.gz ABGNOCQONIAVFH-XCZPVHLTSA-N 1 0 556.773 3.443 1 0 KGAFRO CC[C@H]([NH2+]C[C@H]1Cc2cccc(c2)CCCCc2cc(cc(N(C)S(C)(=O)=O)c2)C(=O)N1)C(=O)NCC(C)C ZINC000014961980 561748579 /nfs/dbraw/zinc/74/85/79/561748579.db2.gz ABGNOCQONIAVFH-IAPPQJPRSA-N 1 0 556.773 3.443 1 0 KGAFRO CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(=O)OC)C(=O)[C@](C)(c1cc(F)cc(F)c1)O2 ZINC000014966473 561750026 /nfs/dbraw/zinc/75/00/26/561750026.db2.gz MNEZWRIUOPOINT-VWLOTQADSA-N 1 0 512.517 3.145 1 0 KGAFRO CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(=O)OC)C(=O)[C@@](C)(c1cc(F)cc(F)c1)O2 ZINC000014966477 561750030 /nfs/dbraw/zinc/75/00/30/561750030.db2.gz MNEZWRIUOPOINT-RUZDIDTESA-N 1 0 512.517 3.145 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCN2C[C@@H](C)O[C@@H](C)C2)C(C)C)ccc1OC ZINC000014967557 561750121 /nfs/dbraw/zinc/75/01/21/561750121.db2.gz FJPZRFMUNBBITF-VHSORMFHSA-N 1 0 565.796 3.255 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCC(C)(C)N2CCOCC2)C(C)C)ccc1OC ZINC000014967561 561750101 /nfs/dbraw/zinc/75/01/01/561750101.db2.gz PIRXRJFXHHVWQE-BDGPUAICSA-N 1 0 565.796 3.257 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCN2CCSCC2)C(C)C)ccc1OC ZINC000014967568 561750093 /nfs/dbraw/zinc/75/00/93/561750093.db2.gz ZLNLLXMJYGLSPC-DNZIZEQUSA-N 1 0 553.810 3.195 1 0 KGAFRO CCOC(=O)CCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C ZINC000014967590 561750091 /nfs/dbraw/zinc/75/00/91/561750091.db2.gz CKOOPCQQFYOAEC-KAMZKSLDSA-N 1 0 524.699 3.099 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)OC)C(C)C)ccc1OC ZINC000014967594 561750105 /nfs/dbraw/zinc/75/01/05/561750105.db2.gz NROMLGQKAFLGFR-KAMZKSLDSA-N 1 0 524.699 3.099 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCCOC(C)=O)C(C)C)ccc1OC ZINC000014967598 561750060 /nfs/dbraw/zinc/75/00/60/561750060.db2.gz WTTJOVMSIMZPJD-NDEVUPSOSA-N 1 0 538.726 3.489 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCc2nc(C)no2)C(C)C)ccc1OC ZINC000014967654 561750229 /nfs/dbraw/zinc/75/02/29/561750229.db2.gz MFOAMUSEPUAMJH-OCFYOKIWSA-N 1 0 548.725 3.470 1 0 KGAFRO CC[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C)C(N)=O ZINC000014967670 561750231 /nfs/dbraw/zinc/75/02/31/561750231.db2.gz SGCDBYALYCBEJZ-KEOOTSPTSA-N 1 0 537.742 3.046 1 0 KGAFRO CNC(=O)[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C ZINC000014967692 561750265 /nfs/dbraw/zinc/75/02/65/561750265.db2.gz BFIDKKSZGRMHCA-GKKOWRRISA-N 1 0 551.769 3.164 1 0 KGAFRO CNC(=O)[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C ZINC000014967696 561750203 /nfs/dbraw/zinc/75/02/03/561750203.db2.gz BFIDKKSZGRMHCA-KAPZOZIZSA-N 1 0 551.769 3.164 1 0 KGAFRO CNC(=O)CCCNC(=O)[C@@H](C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C ZINC000014967704 561750266 /nfs/dbraw/zinc/75/02/66/561750266.db2.gz YTAHXBZTLOJJPG-CQJMVLFOSA-N 1 0 551.769 3.308 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NC[C@@H]2CCC(=O)N2)C(C)C)C(C)C)ccc1OC ZINC000014967713 561750207 /nfs/dbraw/zinc/75/02/07/561750207.db2.gz BXRXSNOPXSYVNH-LROMGURASA-N 1 0 549.753 3.061 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NC[C@H]2CCC(=O)N2)C(C)C)C(C)C)ccc1OC ZINC000014967717 561750233 /nfs/dbraw/zinc/75/02/33/561750233.db2.gz BXRXSNOPXSYVNH-UUNMLIRYSA-N 1 0 549.753 3.061 1 0 KGAFRO COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969391 561750539 /nfs/dbraw/zinc/75/05/39/561750539.db2.gz DHISSSXEEMPPQB-XMMPIXPASA-N 1 0 537.620 3.416 1 0 KGAFRO COc1ccc(-n2nc(-c3nn[nH]n3)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969430 561750703 /nfs/dbraw/zinc/75/07/03/561750703.db2.gz RCLCUBQVOBFWDF-XMMPIXPASA-N 1 0 562.634 3.498 1 0 KGAFRO COc1ccc(-n2nc(Cn3cnnn3)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969448 561750725 /nfs/dbraw/zinc/75/07/25/561750725.db2.gz XSEZTBVLOUTJTF-AREMUKBSSA-N 1 0 576.661 3.352 1 0 KGAFRO COc1ccc(-n2nc(Cn3ncnn3)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000014969454 561750735 /nfs/dbraw/zinc/75/07/35/561750735.db2.gz UAIGJMNMKWFEGL-AREMUKBSSA-N 1 0 576.661 3.352 1 0 KGAFRO CS(=O)(=O)c1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(C[NH3+])c2)CC1 ZINC000014969532 561750728 /nfs/dbraw/zinc/75/07/28/561750728.db2.gz FTPSVXUIIJXBJT-UHFFFAOYSA-N 1 0 521.565 3.152 1 0 KGAFRO CS(=O)(=O)c1ccccc1N1CCC(NC(=O)c2cc(C(F)(F)F)nn2-c2ccccc2C[NH3+])CC1 ZINC000014969536 561750701 /nfs/dbraw/zinc/75/07/01/561750701.db2.gz WDSKYLNBSGAMDR-UHFFFAOYSA-N 1 0 521.565 3.152 1 0 KGAFRO COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4C[NH+]4CCCC4)CC2)CC3)cc1 ZINC000014969577 561750858 /nfs/dbraw/zinc/75/08/58/561750858.db2.gz DPXWCKIVLONPSP-UHFFFAOYSA-N 1 0 528.657 3.243 1 0 KGAFRO CC[NH+](CC)Cc1ccccc1N1CCC(N2CCc3c(C(N)=O)nn(-c4ccc(OC)cc4)c3C2=O)CC1 ZINC000014969593 561750827 /nfs/dbraw/zinc/75/08/27/561750827.db2.gz ITHCVPPZUXPRGP-UHFFFAOYSA-N 1 0 530.673 3.489 1 0 KGAFRO C[NH2+][C@H](Cc1ccccc1)C(=O)N[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C ZINC000015217766 291785646 /nfs/dbraw/zinc/78/56/46/291785646.db2.gz RZPGHGRAYXXUEA-CXVSMPTMSA-N 1 0 520.674 3.037 1 0 biogenic,in-vitro KGAFRO C[C@@H]1CN(c2ccc(Nc3ncc4c(n3)n(-c3ccc5c(c3)CCC5)cc(C(N)=O)c4=O)cc2)C[C@@H](C)[NH2+]1 ZINC000016052773 561754070 /nfs/dbraw/zinc/75/40/70/561754070.db2.gz AHBSXTVFKVCNCE-QZTJIDSGSA-N 1 0 509.614 3.299 1 0 KGAFRO C[C@@H]1CN(c2ccc(Nc3ncc4c(n3)n(-c3ccc5c(c3)CCC5)cc(C(N)=O)c4=O)cc2)C[C@H](C)[NH2+]1 ZINC000016052775 561754035 /nfs/dbraw/zinc/75/40/35/561754035.db2.gz AHBSXTVFKVCNCE-HDICACEKSA-N 1 0 509.614 3.299 1 0 in-vitro KGAFRO C[C@H]1CN(c2ccc(Nc3ncc4c(n3)n(-c3ccc5c(c3)CCC5)cc(C(N)=O)c4=O)cc2)C[C@H](C)[NH2+]1 ZINC000016052776 561753993 /nfs/dbraw/zinc/75/39/93/561753993.db2.gz AHBSXTVFKVCNCE-ROUUACIJSA-N 1 0 509.614 3.299 1 0 KGAFRO O=C([C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020285170 561758657 /nfs/dbraw/zinc/75/86/57/561758657.db2.gz PALIJJSFOGDBFJ-AREMUKBSSA-N 1 0 510.660 3.068 1 0 KGAFRO O=C([C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020285172 561758647 /nfs/dbraw/zinc/75/86/47/561758647.db2.gz PALIJJSFOGDBFJ-SANMLTNESA-N 1 0 510.660 3.068 1 0 KGAFRO C[NH+]1CCN(CCNC(=O)c2cnn(-c3ccc(F)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000020575566 561758717 /nfs/dbraw/zinc/75/87/17/561758717.db2.gz UESMBZOPRWELTR-UHFFFAOYSA-N 1 0 514.646 3.103 1 0 KGAFRO Cc1ccc(-n2ncc(C(=O)NCCN3CC[NH+](C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000020575583 561758726 /nfs/dbraw/zinc/75/87/26/561758726.db2.gz LTQZIMFSPQALFM-UHFFFAOYSA-N 1 0 510.683 3.272 1 0 KGAFRO COc1cc([C@H]2c3cc4c(cc3[C@@H]([NH2+]CCN3CCCCC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000022039898 561759035 /nfs/dbraw/zinc/75/90/35/561759035.db2.gz BVESBBFTRAGARG-UAZYKBCHSA-N 1 0 510.587 3.189 1 0 KGAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]CCN3CCCCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000022450113 561759252 /nfs/dbraw/zinc/75/92/52/561759252.db2.gz BVESBBFTRAGARG-QNMIOERPSA-N 1 0 510.587 3.189 1 0 KGAFRO COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)/C=N\CC[NH2+]CCNCC/N=C\2 ZINC000022859968 561759586 /nfs/dbraw/zinc/75/95/86/561759586.db2.gz XMEUERRTPNIWEK-VRONRDDVSA-N 1 0 517.630 3.287 1 0 KGAFRO NC(=O)N1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000022927863 561760056 /nfs/dbraw/zinc/76/00/56/561760056.db2.gz BGDPOOZYXVGESF-RUZDIDTESA-N 1 0 508.494 3.034 1 0 KGAFRO CN1CCOCCn2cc(c3ccccc32)C2=C(c3cn(c4ccccc34)CC[N@H+](C)CC1)C(=O)NC2=O ZINC000022930700 561760307 /nfs/dbraw/zinc/76/03/07/561760307.db2.gz UXKZMYMPEYJJKA-UHFFFAOYSA-N 1 0 511.626 3.057 1 0 KGAFRO CN1CC[NH+](C[C@@H]2CCn3cc(c4ccccc43)C3=C(c4cn(c5ccccc45)CCO2)C(=O)NC3=O)CC1 ZINC000022933140 561760421 /nfs/dbraw/zinc/76/04/21/561760421.db2.gz QKXPAKQCFJVAFI-NRFANRHFSA-N 1 0 523.637 3.200 1 0 KGAFRO Cc1cnn(-c2ncnc3c2ncn3C[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022937608 561760854 /nfs/dbraw/zinc/76/08/54/561760854.db2.gz YZHCCUCYDYPJER-VWLOTQADSA-N 1 0 508.630 3.089 1 0 KGAFRO Cc1cnn(-c2ncnc3c2ncn3C[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022937611 561760810 /nfs/dbraw/zinc/76/08/10/561760810.db2.gz YZHCCUCYDYPJER-RUZDIDTESA-N 1 0 508.630 3.089 1 0 KGAFRO Cc1nccn1-c1ncnc2c1ncn2C[C@@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937638 561760867 /nfs/dbraw/zinc/76/08/67/561760867.db2.gz LPHDCIWVOPKFOI-VWLOTQADSA-N 1 0 508.630 3.089 1 0 KGAFRO Cc1nccn1-c1ncnc2c1ncn2C[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022937641 561760823 /nfs/dbraw/zinc/76/08/23/561760823.db2.gz LPHDCIWVOPKFOI-RUZDIDTESA-N 1 0 508.630 3.089 1 0 KGAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@H+](C)CCN(C)C)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000022940570 561761065 /nfs/dbraw/zinc/76/10/65/561761065.db2.gz KLCCMMSKRMSMKI-MQZIHTSUSA-N 1 0 512.603 3.040 1 0 KGAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](C3CCCCC3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000023357728 561761531 /nfs/dbraw/zinc/76/15/31/561761531.db2.gz ORYDIKCVEIVVEP-ATAZIPLOSA-N 1 0 634.884 3.130 1 0 KGAFRO CC[C@@H](C)NC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2C(=O)Nc2ccncc2)c1 ZINC000024715631 561762412 /nfs/dbraw/zinc/76/24/12/561762412.db2.gz HLQIVSDFLBJBKY-HXUWFJFHSA-N 1 0 652.760 3.089 1 0 in-vitro KGAFRO C[NH+](C)CCCn1cc(C2=C(c3cn(CCOCCO)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000025973516 561763453 /nfs/dbraw/zinc/76/34/53/561763453.db2.gz YZPURXCELLQHER-UHFFFAOYSA-N 1 0 500.599 3.124 1 0 KGAFRO C[NH+](C)CCCn1cc(C2=C(c3cn(CCOCCOCCO)c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000025974769 561763518 /nfs/dbraw/zinc/76/35/18/561763518.db2.gz YAEMHJPKGNLLLP-UHFFFAOYSA-N 1 0 544.652 3.140 1 0 KGAFRO COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])cc1)C(c1ccccc1)c1ccccc1 ZINC000025977759 561763669 /nfs/dbraw/zinc/76/36/69/561763669.db2.gz MNSLHONIQQUMSX-AZGAKELHSA-N 1 0 527.625 3.135 1 0 KGAFRO Cn1cc(NC(=O)Cn2cc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)cc1C(=O)NCCC[NH+](C)C ZINC000026000880 561765409 /nfs/dbraw/zinc/76/54/09/561765409.db2.gz XEHLOWUQJDBYNM-UHFFFAOYSA-N 1 0 591.672 3.349 1 0 KGAFRO COC(=O)[C@@](O)(CCCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000026006211 561765642 /nfs/dbraw/zinc/76/56/42/561765642.db2.gz AXNLSACSJTXPHB-ZBVBGGFBSA-N 1 0 515.603 3.076 1 0 KGAFRO COC(=O)[C@](O)(CCCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000026006217 561765630 /nfs/dbraw/zinc/76/56/30/561765630.db2.gz AXNLSACSJTXPHB-KSZYUSJVSA-N 1 0 515.603 3.076 1 0 KGAFRO COC(=O)C[C@@](O)(CCCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000026009291 561765779 /nfs/dbraw/zinc/76/57/79/561765779.db2.gz PWVLSBZKROUYKM-KFADFNFCSA-N 1 0 529.630 3.466 1 0 KGAFRO COC(=O)C[C@](O)(CCCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000026009298 561765725 /nfs/dbraw/zinc/76/57/25/561765725.db2.gz PWVLSBZKROUYKM-PPTZAKONSA-N 1 0 529.630 3.466 1 0 KGAFRO CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(=O)OCc1ccccc1 ZINC000026015030 561766139 /nfs/dbraw/zinc/76/61/39/561766139.db2.gz RKTCQUKRUWVINW-HZFUHODCSA-N 1 0 545.680 3.307 1 0 KGAFRO Cc1nccn1CCCCc1ccc([C@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC2CCCCC2)cc1 ZINC000026146588 561767325 /nfs/dbraw/zinc/76/73/25/561767325.db2.gz XSCWSEUDIADRCA-YYXXCONNSA-N 1 0 610.844 3.495 1 0 KGAFRO CN1CCN(CCOc2ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)cc2)C1=O ZINC000026151748 561767632 /nfs/dbraw/zinc/76/76/32/561767632.db2.gz KQBXKNMHEJHPCA-SYQUUIDJSA-N 1 0 685.863 3.316 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026152162 561767777 /nfs/dbraw/zinc/76/77/77/561767777.db2.gz LQBLSQUSWJJCSP-DYZDJISQSA-N 1 0 557.732 3.242 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026152169 561767802 /nfs/dbraw/zinc/76/78/02/561767802.db2.gz LQBLSQUSWJJCSP-OUQRXDASSA-N 1 0 557.732 3.242 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCCN2CCOC2=O)cc1)NC(=O)OC(C)(C)C ZINC000026158174 561768374 /nfs/dbraw/zinc/76/83/74/561768374.db2.gz SGPZLDNIZDMEIK-VZNYXHRGSA-N 1 0 672.820 3.401 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCCN2CCOCC2)cc1)NC(=O)OC(C)(C)C ZINC000026160225 561768489 /nfs/dbraw/zinc/76/84/89/561768489.db2.gz RCFQGEMHANXIRS-GASGPIRDSA-N 1 0 672.864 3.281 1 0 KGAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1ccc(I)cc1 ZINC000026165199 561769100 /nfs/dbraw/zinc/76/91/00/561769100.db2.gz DAGJHZONMYFRMK-NRFANRHFSA-N 1 0 523.396 3.353 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(CCC(=O)N2CCOCC2)cc1)NC(=O)OC(C)(C)C ZINC000026167857 561769459 /nfs/dbraw/zinc/76/94/59/561769459.db2.gz SGSVELRCCSUWEU-GASGPIRDSA-N 1 0 684.875 3.361 1 0 KGAFRO CCOC(=O)C[C@@H](CC(=O)N1CCC2(CCN(c3ccc(C(=[NH2+])NO)cc3)C2=O)CC1)c1ccccc1 ZINC000026169734 561769779 /nfs/dbraw/zinc/76/97/79/561769779.db2.gz HAODQULROWPVAF-JOCHJYFZSA-N 1 0 506.603 3.463 1 0 KGAFRO CCOC(=O)C[C@H](CC(=O)N1CCC2(CCN(c3ccc(C(=[NH2+])NO)cc3)C2=O)CC1)c1ccccc1 ZINC000026169736 561769776 /nfs/dbraw/zinc/76/97/76/561769776.db2.gz HAODQULROWPVAF-QFIPXVFZSA-N 1 0 506.603 3.463 1 0 KGAFRO [NH2+]=C(c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)CC2)cc1)N1CCOCC1 ZINC000026172720 561770316 /nfs/dbraw/zinc/77/03/16/561770316.db2.gz JMQKFPYHLCESRV-UHFFFAOYSA-N 1 0 571.497 3.407 1 0 KGAFRO NC(=[NH2+])c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)CC2)cc1 ZINC000026172738 561770262 /nfs/dbraw/zinc/77/02/62/561770262.db2.gz LBCUUCWBGBAERQ-UHFFFAOYSA-N 1 0 501.406 3.033 1 0 KGAFRO [NH2+]=C(c1ccc(CN2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC2=O)cc1)N1CCCC1 ZINC000026174388 561770621 /nfs/dbraw/zinc/77/06/21/561770621.db2.gz NIBCKROGHPDMBC-UHFFFAOYSA-N 1 0 500.024 3.276 1 0 KGAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@@H]2CC(=O)N2CCCCC2)cc1 ZINC000026175035 561770759 /nfs/dbraw/zinc/77/07/59/561770759.db2.gz BYTQLBBGDDKNNJ-VWLOTQADSA-N 1 0 611.168 3.431 1 0 KGAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2CC(=O)N2CCCCC2)cc1 ZINC000026175042 561770740 /nfs/dbraw/zinc/77/07/40/561770740.db2.gz BYTQLBBGDDKNNJ-RUZDIDTESA-N 1 0 611.168 3.431 1 0 KGAFRO CCN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000026175139 561770761 /nfs/dbraw/zinc/77/07/61/561770761.db2.gz RYYBIXFSKONWMM-UHFFFAOYSA-N 1 0 500.024 3.050 1 0 KGAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@@H]2CC(=O)N2CCCC2)cc1 ZINC000026175485 561770746 /nfs/dbraw/zinc/77/07/46/561770746.db2.gz JNJKQEYKUFZSKV-DEOSSOPVSA-N 1 0 597.141 3.041 1 0 KGAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)C[C@H]2CC(=O)N2CCCC2)cc1 ZINC000026175493 561770756 /nfs/dbraw/zinc/77/07/56/561770756.db2.gz JNJKQEYKUFZSKV-XMMPIXPASA-N 1 0 597.141 3.041 1 0 KGAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4s3)CC2)cc1 ZINC000026177108 561770948 /nfs/dbraw/zinc/77/09/48/561770948.db2.gz KUUPCMFDTHAEBO-UHFFFAOYSA-N 1 0 503.049 3.393 1 0 KGAFRO O=C(c1ccc(C2=[NH+]CCN2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000026177205 561771079 /nfs/dbraw/zinc/77/10/79/561771079.db2.gz OBCUHLZHIJDNHA-UHFFFAOYSA-N 1 0 527.444 3.099 1 0 KGAFRO [NH2+]=C(c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1)N1CCCC1 ZINC000026177456 561771068 /nfs/dbraw/zinc/77/10/68/561771068.db2.gz DSROOOBGZJXPRH-UHFFFAOYSA-N 1 0 500.024 3.389 1 0 KGAFRO O=C(c1ccc(C2=[NH+]CCCN2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000026178537 561771180 /nfs/dbraw/zinc/77/11/80/561771180.db2.gz ZUNJSFCKYIGUOQ-UHFFFAOYSA-N 1 0 541.471 3.489 1 0 KGAFRO CN(C)C(=O)C[C@@H]1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1C(=O)c1ccc(C2=[NH+]CCN2C)cc1 ZINC000026179939 561771538 /nfs/dbraw/zinc/77/15/38/561771538.db2.gz ZNSSDWNRJIFALT-JOCHJYFZSA-N 1 0 588.155 3.240 1 0 KGAFRO CN(C)C(=O)C[C@H]1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1C(=O)c1ccc(C2=[NH+]CCN2C)cc1 ZINC000026179944 561771545 /nfs/dbraw/zinc/77/15/45/561771545.db2.gz ZNSSDWNRJIFALT-QFIPXVFZSA-N 1 0 588.155 3.240 1 0 KGAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Br)ccc4c3)CC2)cc1 ZINC000026180691 561771618 /nfs/dbraw/zinc/77/16/18/561771618.db2.gz YWLFJGUFYABFRF-UHFFFAOYSA-N 1 0 541.471 3.441 1 0 KGAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)C[C@@H]2CC(=O)N2CCOCC2)cc1 ZINC000026181598 561771844 /nfs/dbraw/zinc/77/18/44/561771844.db2.gz WEZCXOSTNFUHCF-DEOSSOPVSA-N 1 0 630.192 3.011 1 0 KGAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)C[C@H]2CC(=O)N2CCOCC2)cc1 ZINC000026181604 561771849 /nfs/dbraw/zinc/77/18/49/561771849.db2.gz WEZCXOSTNFUHCF-XMMPIXPASA-N 1 0 630.192 3.011 1 0 KGAFRO CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cn(CC[NH+](C)C)c2ccccc12 ZINC000026182202 561771957 /nfs/dbraw/zinc/77/19/57/561771957.db2.gz QZYSMYBDECLSSY-FTOUHTJISA-N 1 0 595.744 3.164 1 0 KGAFRO CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn(CC[NH+](C)C)c2ccccc12 ZINC000026182203 561771963 /nfs/dbraw/zinc/77/19/63/561771963.db2.gz QZYSMYBDECLSSY-VUSUJWAUSA-N 1 0 595.744 3.164 1 0 KGAFRO O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)COc2cccnc2)cc1)c1ccc(Br)cc1 ZINC000026183487 561772166 /nfs/dbraw/zinc/77/21/66/561772166.db2.gz XAIVJWNZTMSMKF-FQEVSTJZSA-N 1 0 506.422 3.217 1 0 KGAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)C[C@@H]2CC(=O)N2CCC2)cc1 ZINC000026183804 561772243 /nfs/dbraw/zinc/77/22/43/561772243.db2.gz ZJCVOHVQUWQEPQ-QHCPKHFHSA-N 1 0 600.166 3.384 1 0 KGAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)C[C@H]2CC(=O)N2CCC2)cc1 ZINC000026183811 561772248 /nfs/dbraw/zinc/77/22/48/561772248.db2.gz ZJCVOHVQUWQEPQ-HSZRJFAPSA-N 1 0 600.166 3.384 1 0 KGAFRO CN1CC[NH+]=C1c1ccc(C(=O)N2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2)cc1 ZINC000026185753 561772536 /nfs/dbraw/zinc/77/25/36/561772536.db2.gz ICIKOHAEIYEYSE-UHFFFAOYSA-N 1 0 503.049 3.393 1 0 KGAFRO COC(=O)C[C@@H]1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1C(=O)c1ccc(C2=[NH+]CCN2C)cc1 ZINC000026185853 561772615 /nfs/dbraw/zinc/77/26/15/561772615.db2.gz VIFUJJWPUCXRLN-OAQYLSRUSA-N 1 0 575.112 3.325 1 0 KGAFRO COC(=O)C[C@H]1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1C(=O)c1ccc(C2=[NH+]CCN2C)cc1 ZINC000026185859 561772654 /nfs/dbraw/zinc/77/26/54/561772654.db2.gz VIFUJJWPUCXRLN-NRFANRHFSA-N 1 0 575.112 3.325 1 0 KGAFRO O=C(c1ccco1)N1CCN(c2ccc(=O)n(CCCCC[NH+]3CCN(c4ccccc4Cl)CC3)n2)CC1 ZINC000026186009 561772647 /nfs/dbraw/zinc/77/26/47/561772647.db2.gz OBOGYKVWLPQVDO-UHFFFAOYSA-N 1 0 539.080 3.445 1 0 KGAFRO COc1ccccc1N1CC[NH+](CCCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000026188845 561773080 /nfs/dbraw/zinc/77/30/80/561773080.db2.gz ZKHFPEVAXTZZJB-UHFFFAOYSA-N 1 0 569.106 3.453 1 0 KGAFRO CN1CC[NH+]=C1c1ccc(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc1 ZINC000026189447 561773269 /nfs/dbraw/zinc/77/32/69/561773269.db2.gz ZQQIKMCTJBJOSW-UHFFFAOYSA-N 1 0 503.049 3.280 1 0 KGAFRO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCC[NH3+] ZINC000026248157 561773649 /nfs/dbraw/zinc/77/36/49/561773649.db2.gz PFVFFXGXQQCNMP-KCHLEUMXSA-N 1 0 566.743 3.055 1 0 KGAFRO Nc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1 ZINC000026250966 561774060 /nfs/dbraw/zinc/77/40/60/561774060.db2.gz TYQULXNTIHTDSG-KRWDZBQOSA-N 1 0 511.431 3.343 1 0 KGAFRO COc1ccccc1OCCN1CCN(c2ccc(=O)n(CCCCC[NH+]3CCN(c4ccccc4OC)CC3)n2)CC1 ZINC000026251352 561774271 /nfs/dbraw/zinc/77/42/71/561774271.db2.gz HZFDSBWZDWPAOS-UHFFFAOYSA-N 1 0 590.769 3.454 1 0 KGAFRO COc1ccccc1OCCN1CCN(c2cnn(CCC[NH+]3CCN(c4ccccc4OC)CC3)c(=O)c2Cl)CC1 ZINC000026252334 561774277 /nfs/dbraw/zinc/77/42/77/561774277.db2.gz LCQDYHSIAYYJQU-UHFFFAOYSA-N 1 0 597.160 3.327 1 0 KGAFRO COc1ccccc1OCCN1CCN(c2ccc(=O)n(CCCC[NH+]3CCN(c4ccccc4OC)CC3)n2)CC1 ZINC000026260047 561775468 /nfs/dbraw/zinc/77/54/68/561775468.db2.gz BMDUFJCFZKSOPF-UHFFFAOYSA-N 1 0 576.742 3.064 1 0 KGAFRO CC(C)S(=O)(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026260470 561775401 /nfs/dbraw/zinc/77/54/01/561775401.db2.gz MSYMOQJMJNWUKQ-DZUOILHNSA-N 1 0 652.899 3.376 1 0 KGAFRO O=C(CN1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026260656 561775446 /nfs/dbraw/zinc/77/54/46/561775446.db2.gz BVHKIDFKISASAG-UHFFFAOYSA-N 1 0 538.608 3.006 1 0 KGAFRO O=C(CN1CC[NH+](CCCCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000026262459 561775748 /nfs/dbraw/zinc/77/57/48/561775748.db2.gz ZTTSJHWCSXDEGV-UHFFFAOYSA-N 1 0 552.635 3.396 1 0 KGAFRO Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC[NH+](C)C)n(C)c2)n(C2CCCC2)c1 ZINC000026263141 561775887 /nfs/dbraw/zinc/77/58/87/561775887.db2.gz QLQVEVALIKPICT-UHFFFAOYSA-N 1 0 550.664 3.035 1 0 KGAFRO COc1ccccc1N1CC[NH+](CCCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000026263371 561775878 /nfs/dbraw/zinc/77/58/78/561775878.db2.gz IMHVHKFVGODJEV-UHFFFAOYSA-N 1 0 555.079 3.063 1 0 KGAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@H](Cc2cccc3ccccc32)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O ZINC000026264176 561776047 /nfs/dbraw/zinc/77/60/47/561776047.db2.gz JIMRCJBXXYUAMO-VSGBNLITSA-N 1 0 566.706 3.441 1 0 KGAFRO CC(=O)Nc1nc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC[NH+](C)C)n(C)c3)n(C)c2)c(C(C)C)s1 ZINC000026264264 561776102 /nfs/dbraw/zinc/77/61/02/561776102.db2.gz XIYOGORVLURGAG-UHFFFAOYSA-N 1 0 556.693 3.088 1 0 KGAFRO COc1ccccc1N1CC[NH+](CCCCCCn2nc(N3CCN(C(=O)c4ccco4)CC3)ccc2=O)CC1 ZINC000026264387 561776075 /nfs/dbraw/zinc/77/60/75/561776075.db2.gz QRJXKNKTDPVDIM-UHFFFAOYSA-N 1 0 548.688 3.190 1 0 KGAFRO C[C@H](O)C[NH2+]C(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 ZINC000026264904 561776146 /nfs/dbraw/zinc/77/61/46/561776146.db2.gz MJYKVDHARZPMCZ-KDYSTLNUSA-N 1 0 516.686 3.451 1 0 KGAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@H](CC2CCCCC2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O ZINC000026268488 561776665 /nfs/dbraw/zinc/77/66/65/561776665.db2.gz MTXZTZAKNBDVIP-DNQXCXABSA-N 1 0 522.694 3.016 1 0 KGAFRO CS(=O)(=O)N(c1ccc(CC[N@H+](Cc2ccccc2)Cc2ccc3c(c2)OCO3)cc1)S(C)(=O)=O ZINC000026268922 561776879 /nfs/dbraw/zinc/77/68/79/561776879.db2.gz VJUMHZNLYZLHJT-UHFFFAOYSA-N 1 0 516.641 3.386 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026269039 561776869 /nfs/dbraw/zinc/77/68/69/561776869.db2.gz QHSSQFJZPOJIOL-NODASKEBSA-N 1 0 559.707 3.459 1 0 KGAFRO CC(C)n1cc(NC(=O)c2cc(NC=O)cn2C)cc1C(=O)Nc1cc(C(=O)NCCC[NH+]2CCCC2)n(C)c1 ZINC000026270580 561777127 /nfs/dbraw/zinc/77/71/27/561777127.db2.gz QBQNCTAKWXFKLN-UHFFFAOYSA-N 1 0 550.664 3.035 1 0 KGAFRO COc1cccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)n(C)c2)c1 ZINC000026273059 561777641 /nfs/dbraw/zinc/77/76/41/561777641.db2.gz MVEANWPQILQZMS-UHFFFAOYSA-N 1 0 602.696 3.149 1 0 KGAFRO NC(=[NH2+])NCCCC[C@H]1NC(=O)N([C@H](CC2CCCCC2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O ZINC000026275681 561778130 /nfs/dbraw/zinc/77/81/30/561778130.db2.gz MXGGGAHLHFUQKS-JWQCQUIFSA-N 1 0 536.721 3.406 1 0 KGAFRO NC(=[NH2+])NCCC[C@H]1NC(=O)N([C@H](Cc2ccc3ccccc3c2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O ZINC000026277326 561778509 /nfs/dbraw/zinc/77/85/09/561778509.db2.gz DFOXHMIEIXQOGI-VSGBNLITSA-N 1 0 566.706 3.441 1 0 KGAFRO CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3nc(C(=O)NCCC[NH+](C)C)c(C(C)C)s3)n(C)c2)n(C)c1 ZINC000026277876 561778612 /nfs/dbraw/zinc/77/86/12/561778612.db2.gz BWUYSJXUFSBRNE-UHFFFAOYSA-N 1 0 556.693 3.088 1 0 KGAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]C2CCN(S(=O)(=O)c3ccc4oc5ccccc5c4c3)CC2)ccc1O ZINC000026279537 561778761 /nfs/dbraw/zinc/77/87/61/561778761.db2.gz SHUMLMXHWRHUSZ-DEOSSOPVSA-N 1 0 559.666 3.139 1 0 KGAFRO CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](O)COc3ccc(O)cc3)CC2)cc1 ZINC000026282028 561779156 /nfs/dbraw/zinc/77/91/56/561779156.db2.gz JBKNIJVKNBLHCV-DEOSSOPVSA-N 1 0 548.706 3.277 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026288317 561780169 /nfs/dbraw/zinc/78/01/69/561780169.db2.gz BXXKSGNCOZTWCZ-KCWCWIANSA-N 1 0 727.903 3.469 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026288323 561780200 /nfs/dbraw/zinc/78/02/00/561780200.db2.gz BXXKSGNCOZTWCZ-QMZRASJZSA-N 1 0 727.903 3.469 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[N@@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026288329 561780142 /nfs/dbraw/zinc/78/01/42/561780142.db2.gz BXXKSGNCOZTWCZ-IDYQOJRDSA-N 1 0 727.903 3.469 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2C[N@@H+]1C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCOc2cc3ccccc3cc2C(=O)N[C@@H](CC(N)=O)C(=O)N1 ZINC000026288333 561780160 /nfs/dbraw/zinc/78/01/60/561780160.db2.gz BXXKSGNCOZTWCZ-BUYZLOASSA-N 1 0 727.903 3.469 1 0 KGAFRO CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C)C(C)C ZINC000026375473 561781724 /nfs/dbraw/zinc/78/17/24/561781724.db2.gz YDVBUHNKHQLBCZ-QIWICACLSA-N 1 0 542.765 3.031 1 0 KGAFRO CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C)C(C)C ZINC000026375475 561781786 /nfs/dbraw/zinc/78/17/86/561781786.db2.gz YDVBUHNKHQLBCZ-NUFRCSJQSA-N 1 0 542.765 3.031 1 0 KGAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3C(=O)NCCO)cc2)C1=O ZINC000026375628 561781714 /nfs/dbraw/zinc/78/17/14/561781714.db2.gz FKUBCMLSEZAHSL-AREMUKBSSA-N 1 0 528.653 3.167 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[N@H+](CCCc2ccccc2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 ZINC000026378283 561782857 /nfs/dbraw/zinc/78/28/57/561782857.db2.gz QIZHTCXZLIEVJQ-GCXHJFECSA-N 1 0 580.770 3.007 1 0 KGAFRO COC(=O)C[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026379367 561783127 /nfs/dbraw/zinc/78/31/27/561783127.db2.gz QNIDUDSVRHVHHV-HHHXNRCGSA-N 1 0 534.594 3.106 1 0 KGAFRO COC(=O)C[C@]1(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026379371 561783122 /nfs/dbraw/zinc/78/31/22/561783122.db2.gz QNIDUDSVRHVHHV-MHZLTWQESA-N 1 0 534.594 3.106 1 0 KGAFRO CN(C)c1ncc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)[C@H]2CCOC2)nc1Cl ZINC000026382023 561783611 /nfs/dbraw/zinc/78/36/11/561783611.db2.gz BIHYGUVPMSZAHD-ULAXQUARSA-N 1 0 712.336 3.215 1 0 KGAFRO COC(=O)[C@@H](C(=O)N1CCN(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(NC(N)=[NH2+])cc1 ZINC000026390026 561785523 /nfs/dbraw/zinc/78/55/23/561785523.db2.gz KPMHCXVNLMHBSS-HHHXNRCGSA-N 1 0 556.667 3.325 1 0 KGAFRO COC(=O)[C@H](C(=O)N1CCN(C(=O)NCCC(c2ccccc2)c2ccccc2)CC1)c1ccc(NC(N)=[NH2+])cc1 ZINC000026390030 561785539 /nfs/dbraw/zinc/78/55/39/561785539.db2.gz KPMHCXVNLMHBSS-MHZLTWQESA-N 1 0 556.667 3.325 1 0 KGAFRO CC(C)(C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000026393998 561786362 /nfs/dbraw/zinc/78/63/62/561786362.db2.gz QWAXKHKRTORLEM-RAJLFYKPSA-N 1 0 670.855 3.092 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cn1c(Cc2ccccc2)c(Cl)nc(NCCc2ccccc2)c1=O)C(=O)c1nccs1 ZINC000026395489 561786781 /nfs/dbraw/zinc/78/67/81/561786781.db2.gz VCHDSLCNSXYYJG-QFIPXVFZSA-N 1 0 621.167 3.230 1 0 KGAFRO CCOC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000026395981 561786970 /nfs/dbraw/zinc/78/69/70/561786970.db2.gz BMHZPGDJAJDPLA-ILBGXUMGSA-N 1 0 521.658 3.036 1 0 KGAFRO CCOC(=O)CC1CCN(C(=O)C(C)(C)[C@@H](CC)NC(=O)c2ccc(C(=[NH2+])N3CCC(O)CC3)cc2F)CC1 ZINC000026396817 561787140 /nfs/dbraw/zinc/78/71/40/561787140.db2.gz NSXMNJVSOKYCEJ-XMMPIXPASA-N 1 0 546.684 3.334 1 0 KGAFRO CCOC(=O)CC1CCN(C(=O)C(C)(C)[C@H](CC)NC(=O)c2ccc(C(=[NH2+])N3CCC(O)CC3)cc2F)CC1 ZINC000026396822 561787143 /nfs/dbraw/zinc/78/71/43/561787143.db2.gz NSXMNJVSOKYCEJ-DEOSSOPVSA-N 1 0 546.684 3.334 1 0 KGAFRO CCOC(=O)CC1CCN(C(=O)C(C)(C)[C@@H](CC)NC(=O)c2ccc(C(=[NH2+])N3CCN(C)CC3)cc2F)CC1 ZINC000026397882 561787553 /nfs/dbraw/zinc/78/75/53/561787553.db2.gz UJVHDCIYLCPNMX-XMMPIXPASA-N 1 0 545.700 3.125 1 0 KGAFRO CCOC(=O)CC1CCN(C(=O)C(C)(C)[C@H](CC)NC(=O)c2ccc(C(=[NH2+])N3CCN(C)CC3)cc2F)CC1 ZINC000026397886 561787524 /nfs/dbraw/zinc/78/75/24/561787524.db2.gz UJVHDCIYLCPNMX-DEOSSOPVSA-N 1 0 545.700 3.125 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000026400739 561788193 /nfs/dbraw/zinc/78/81/93/561788193.db2.gz NHLAELFPWRAGHL-YTCPBCGMSA-N 1 0 724.309 3.186 1 0 KGAFRO CCOC(=O)[C@H]1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000026401942 561788644 /nfs/dbraw/zinc/78/86/44/561788644.db2.gz BMHZPGDJAJDPLA-UKILVPOCSA-N 1 0 521.658 3.036 1 0 KGAFRO CCNC(=O)[C@@H]1C[N@@H+](C(C)(C)c2cc3cnccc3o2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1O ZINC000026492366 561793604 /nfs/dbraw/zinc/79/36/04/561793604.db2.gz JZXMAVVBPXQVSM-ISNJGAFBSA-N 1 0 669.823 3.406 1 0 KGAFRO O=C(CCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)C1=O)N1CCCC1 ZINC000026495270 561794223 /nfs/dbraw/zinc/79/42/23/561794223.db2.gz QWTOGYQGEDWWIR-LJAQVGFWSA-N 1 0 606.749 3.003 1 0 KGAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(Cc3ccccc3)C(=O)[C@@H]2Cc2ccc3ccccc3c2)C(=O)c2nccs2)C1 ZINC000026496795 561794432 /nfs/dbraw/zinc/79/44/32/561794432.db2.gz AHUSMYLIXHLALB-NSGJQZOKSA-N 1 0 665.820 3.442 1 0 KGAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(Cc3ccccc3)C(=O)[C@@H]2Cc2ccc3ccccc3c2)C(=O)c2nccs2)C1 ZINC000026496799 561794456 /nfs/dbraw/zinc/79/44/56/561794456.db2.gz AHUSMYLIXHLALB-POLDFPFKSA-N 1 0 665.820 3.442 1 0 KGAFRO COc1ccc2cc(S(=O)(=O)N[C@@H](Cc3ccc(C(=[NH2+])NN)cc3F)C(=O)N(C)C3CCCC3)ccc2c1 ZINC000026497823 561794723 /nfs/dbraw/zinc/79/47/23/561794723.db2.gz BSIWRNJURNSESA-VWLOTQADSA-N 1 0 541.649 3.067 1 0 in-vivo KGAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccc(Cl)cc2)C(=O)c2nccs2)C1 ZINC000026498411 561794789 /nfs/dbraw/zinc/79/47/89/561794789.db2.gz VTQJRINODAZATN-RZDMPUFOSA-N 1 0 678.259 3.374 1 0 KGAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccc(Cl)cc2)C(=O)c2nccs2)C1 ZINC000026498416 561794798 /nfs/dbraw/zinc/79/47/98/561794798.db2.gz VTQJRINODAZATN-FPNNDXFKSA-N 1 0 678.259 3.374 1 0 KGAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2CCc2ccccc2)C(=O)c2nccs2)C1 ZINC000026499809 561795126 /nfs/dbraw/zinc/79/51/26/561795126.db2.gz LAERJHXEXPFRGS-AWCRTANDSA-N 1 0 657.841 3.111 1 0 KGAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2CCc2ccccc2)C(=O)c2nccs2)C1 ZINC000026499813 561795138 /nfs/dbraw/zinc/79/51/38/561795138.db2.gz LAERJHXEXPFRGS-ULNSLHSMSA-N 1 0 657.841 3.111 1 0 KGAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccccc2Cl)C(=O)c2nccs2)C1 ZINC000026500733 561795307 /nfs/dbraw/zinc/79/53/07/561795307.db2.gz CTVGDUDNNKYLJB-SAAIGDAKSA-N 1 0 678.259 3.374 1 0 KGAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2ccccc2Cl)C(=O)c2nccs2)C1 ZINC000026500736 561795355 /nfs/dbraw/zinc/79/53/55/561795355.db2.gz CTVGDUDNNKYLJB-FQLPYIGMSA-N 1 0 678.259 3.374 1 0 KGAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccc(Cl)cc3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nccs2)C1 ZINC000026501060 561795432 /nfs/dbraw/zinc/79/54/32/561795432.db2.gz MUGUPBQORMXUFS-RZDMPUFOSA-N 1 0 678.259 3.374 1 0 KGAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccc(Cl)cc3)C(=O)[C@H]2Cc2ccccc2)C(=O)c2nccs2)C1 ZINC000026501063 561795433 /nfs/dbraw/zinc/79/54/33/561795433.db2.gz MUGUPBQORMXUFS-FPNNDXFKSA-N 1 0 678.259 3.374 1 0 KGAFRO Cc1ccc(CCCN2CC(=O)N(CC(=O)N[C@@H](C[C@@H]3CCCN(C(N)=[NH2+])C3)C(=O)c3nccs3)[C@H](Cc3ccccc3)C2=O)cc1 ZINC000026501067 561795492 /nfs/dbraw/zinc/79/54/92/561795492.db2.gz UKRYFUADBJXOAG-YTCPBCGMSA-N 1 0 657.841 3.029 1 0 KGAFRO Cc1ccc(CCCN2CC(=O)N(CC(=O)N[C@@H](C[C@H]3CCCN(C(N)=[NH2+])C3)C(=O)c3nccs3)[C@H](Cc3ccccc3)C2=O)cc1 ZINC000026501071 561795428 /nfs/dbraw/zinc/79/54/28/561795428.db2.gz UKRYFUADBJXOAG-SSBOKUKZSA-N 1 0 657.841 3.029 1 0 KGAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2cccc(Cl)c2)C(=O)c2nccs2)C1 ZINC000026501124 561795455 /nfs/dbraw/zinc/79/54/55/561795455.db2.gz VADHIQCYDRQPNN-RZDMPUFOSA-N 1 0 678.259 3.374 1 0 KGAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@H]2Cc2cccc(Cl)c2)C(=O)c2nccs2)C1 ZINC000026501128 561795592 /nfs/dbraw/zinc/79/55/92/561795592.db2.gz VADHIQCYDRQPNN-FPNNDXFKSA-N 1 0 678.259 3.374 1 0 KGAFRO CN(C(=O)[C@H](Cc1ccc(C(=[NH2+])NN)c(F)c1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1 ZINC000026501137 561795618 /nfs/dbraw/zinc/79/56/18/561795618.db2.gz FOXDLYNAIDWKIH-DEOSSOPVSA-N 1 0 511.623 3.058 1 0 KGAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2Cc2ccc(Cl)cc2)C(=O)c2nccs2)C1 ZINC000026502647 561795922 /nfs/dbraw/zinc/79/59/22/561795922.db2.gz VTQJRINODAZATN-MYKRZTLLSA-N 1 0 678.259 3.374 1 0 KGAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2Cc2ccc(Cl)cc2)C(=O)c2nccs2)C1 ZINC000026502651 561795920 /nfs/dbraw/zinc/79/59/20/561795920.db2.gz VTQJRINODAZATN-PKXQUSJVSA-N 1 0 678.259 3.374 1 0 KGAFRO NC(=[NH2+])N1CCC[C@@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2CC2CCCCC2)C(=O)c2nccs2)C1 ZINC000026503957 561796173 /nfs/dbraw/zinc/79/61/73/561796173.db2.gz PHTPDNUYIUJPMG-KCHLEUMXSA-N 1 0 649.862 3.449 1 0 KGAFRO NC(=[NH2+])N1CCC[C@H](C[C@H](NC(=O)CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@@H]2CC2CCCCC2)C(=O)c2nccs2)C1 ZINC000026503962 561796138 /nfs/dbraw/zinc/79/61/38/561796138.db2.gz PHTPDNUYIUJPMG-PKTNWEFCSA-N 1 0 649.862 3.449 1 0 KGAFRO CN(C(=O)[C@H](Cc1ccc(C(=[NH2+])NN)cc1F)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1 ZINC000026506348 561796623 /nfs/dbraw/zinc/79/66/23/561796623.db2.gz DAUJKEUFSFEEBX-DEOSSOPVSA-N 1 0 511.623 3.058 1 0 in-vivo KGAFRO CC[C@@H](C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CCCC(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026569914 561797908 /nfs/dbraw/zinc/79/79/08/561797908.db2.gz YLERTPVDPYZKJN-MOBIUZRASA-N 1 0 644.817 3.122 1 0 KGAFRO CC[C@H](C)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CCCC(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026569917 561797897 /nfs/dbraw/zinc/79/78/97/561797897.db2.gz YLERTPVDPYZKJN-XTPLGNKUSA-N 1 0 644.817 3.122 1 0 KGAFRO C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000026570025 561797876 /nfs/dbraw/zinc/79/78/76/561797876.db2.gz GCCUZOJMHMCLLZ-NPHRAETBSA-N 1 0 660.816 3.483 1 0 KGAFRO C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000026570030 561797879 /nfs/dbraw/zinc/79/78/79/561797879.db2.gz GCCUZOJMHMCLLZ-MXGGMJLHSA-N 1 0 660.816 3.483 1 0 KGAFRO COc1ccc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cc5c(cc[nH+]c5N)cc4OC)C3=O)cc2c1 ZINC000026572684 561798406 /nfs/dbraw/zinc/79/84/06/561798406.db2.gz RTZPSFNQGNYELJ-QHCPKHFHSA-N 1 0 506.584 3.067 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H]1CCC(=O)N([C@@H](CCCC[NH3+])C(=O)NCCc2c[nH]c3ccccc23)C(=O)[C@@H](Cc2ccccc2)NC1=O ZINC000026574078 561798732 /nfs/dbraw/zinc/79/87/32/561798732.db2.gz OBBVSYZBWPICHJ-NLDZOOGBSA-N 1 0 646.789 3.094 1 0 KGAFRO CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026574288 561798808 /nfs/dbraw/zinc/79/88/08/561798808.db2.gz HSOSMQBCQQNBJI-BQYLNSIHSA-N 1 0 735.930 3.152 1 0 KGAFRO CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)[C@@H](Cc2ccccc2)NCC(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026575795 561799594 /nfs/dbraw/zinc/79/95/94/561799594.db2.gz OUIAKBNPNUTXHE-NBRFXYHLSA-N 1 0 735.930 3.152 1 0 KGAFRO CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)[C@H](Cc2ccccc2)NCC(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026575796 561799554 /nfs/dbraw/zinc/79/95/54/561799554.db2.gz OUIAKBNPNUTXHE-BQYLNSIHSA-N 1 0 735.930 3.152 1 0 KGAFRO CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCC[NH3+])N1C(=O)CN[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000026575797 561799528 /nfs/dbraw/zinc/79/95/28/561799528.db2.gz HSOSMQBCQQNBJI-HQPLKVBUSA-N 1 0 735.930 3.152 1 0 KGAFRO CCc1nccn1CCCCc1ccc(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC2CCCCC2)cc1 ZINC000026576159 561799950 /nfs/dbraw/zinc/79/99/50/561799950.db2.gz LZBMUKLGBZVMDG-KYJUHHDHSA-N 1 0 610.844 3.188 1 0 KGAFRO Cc1ccn(-c2ncnc3c2ncn3C[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000026576305 561800073 /nfs/dbraw/zinc/80/00/73/561800073.db2.gz JOQUUXNNESFENM-VWLOTQADSA-N 1 0 508.630 3.089 1 0 KGAFRO Cc1ccn(-c2ncnc3c2ncn3C[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000026576306 561800125 /nfs/dbraw/zinc/80/01/25/561800125.db2.gz JOQUUXNNESFENM-RUZDIDTESA-N 1 0 508.630 3.089 1 0 KGAFRO O=Cc1ccn(-c2ncnc3c2ncn3C[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000026576330 561800110 /nfs/dbraw/zinc/80/01/10/561800110.db2.gz CORMDZWOTMPBKG-SANMLTNESA-N 1 0 521.625 3.198 1 0 KGAFRO Nc1nc(-c2ccncc2)nc2c1ncn2C[C@@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026576405 561800247 /nfs/dbraw/zinc/80/02/47/561800247.db2.gz CJLYKDHLUZWPOC-VWLOTQADSA-N 1 0 520.641 3.239 1 0 KGAFRO Nc1nc(-c2ccncc2)nc2c1ncn2C[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026576406 561800223 /nfs/dbraw/zinc/80/02/23/561800223.db2.gz CJLYKDHLUZWPOC-RUZDIDTESA-N 1 0 520.641 3.239 1 0 KGAFRO O=Cc1cccn1-c1ncnc2c1ncn2C[C@@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026576824 561800768 /nfs/dbraw/zinc/80/07/68/561800768.db2.gz BPJAWQQZGRAANE-SANMLTNESA-N 1 0 521.625 3.198 1 0 KGAFRO Cc1cn(-c2ncnc3c2ncn3C[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000026577098 561800943 /nfs/dbraw/zinc/80/09/43/561800943.db2.gz FXLLIADMPZWBHS-VWLOTQADSA-N 1 0 508.630 3.089 1 0 KGAFRO Cc1cn(-c2ncnc3c2ncn3C[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000026577099 561801008 /nfs/dbraw/zinc/80/10/08/561801008.db2.gz FXLLIADMPZWBHS-RUZDIDTESA-N 1 0 508.630 3.089 1 0 KGAFRO O[C@H](Cn1cnc2c1ncnc2-n1cccc1)CN1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000026577222 561801190 /nfs/dbraw/zinc/80/11/90/561801190.db2.gz XFHRVXXUEWPVFC-SANMLTNESA-N 1 0 507.642 3.428 1 0 KGAFRO O[C@@H](Cn1cnc2c1ncnc2-n1cccc1)CN1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000026577223 561801290 /nfs/dbraw/zinc/80/12/90/561801290.db2.gz XFHRVXXUEWPVFC-AREMUKBSSA-N 1 0 507.642 3.428 1 0 KGAFRO [NH3+]CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCCCCCCn1ccnc1)C(=O)NCCC1CCCCC1 ZINC000026578333 561803162 /nfs/dbraw/zinc/80/31/62/561803162.db2.gz MWGUXTQFAWWYKY-SVBPBHIXSA-N 1 0 562.800 3.181 1 0 KGAFRO [NH3+]CCCC[C@H](NC(=O)[C@H](CO)NC(=O)Cc1ccc(CCCCCn2ccnc2)cc1)C(=O)NCCC1CCCCC1 ZINC000026578335 561803106 /nfs/dbraw/zinc/80/31/06/561803106.db2.gz VYTGCVWQZZPAAD-KYJUHHDHSA-N 1 0 596.817 3.016 1 0 KGAFRO [NH3+]CCCC[C@H](NC(=O)[C@H](CO)NC(=O)Cc1ccc(CCCCn2ccnc2I)cc1)C(=O)NCCC1CCCCC1 ZINC000026579035 561804034 /nfs/dbraw/zinc/80/40/34/561804034.db2.gz IYJXFVDKAMAUQC-NSOVKSMOSA-N 1 0 708.686 3.231 1 0 KGAFRO COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C(=O)CCCC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000026580003 561805325 /nfs/dbraw/zinc/80/53/25/561805325.db2.gz DTGMIMFTXAKEOP-UHFFFAOYSA-N 1 0 549.049 3.176 1 0 KGAFRO C=C(Br)C(=O)Nc1ccc2c(cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)n2C)c1 ZINC000026637104 561805893 /nfs/dbraw/zinc/80/58/93/561805893.db2.gz SIMUSWWQDQZUOW-UHFFFAOYSA-N 1 0 636.511 3.263 1 0 KGAFRO CC[C@H](NC(=O)[C@H]([NH2+]C)[C@@H](OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000026651049 561808303 /nfs/dbraw/zinc/80/83/03/561808303.db2.gz VOOWKQLTXMDXLZ-RIRIGPCISA-N 1 0 642.794 3.364 1 0 KGAFRO CC(C)(C)NC(=O)[C@H]1N(C(=O)[C@@H](OC(=O)Cc2ccccc2)[C@@H]([NH3+])Cc2ccccc2)CSC1(C)C ZINC000026652753 561808694 /nfs/dbraw/zinc/80/86/94/561808694.db2.gz QXSAOMZAHBYZLV-OEMFJLHTSA-N 1 0 511.688 3.306 1 0 KGAFRO C[C@H](O)C[NH2+]C(C)(C)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026653384 561808705 /nfs/dbraw/zinc/80/87/05/561808705.db2.gz SVVUPQGHOYWEIT-RXFWQSSRSA-N 1 0 553.667 3.247 1 0 KGAFRO COc1ccc(C(=O)O[C@H](C(=O)N2CSC(C)(C)[C@H]2C(=O)NC(C)(C)C)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000026658531 561809911 /nfs/dbraw/zinc/80/99/11/561809911.db2.gz XHZQCESNKTXHIG-RJGXRXQPSA-N 1 0 527.687 3.385 1 0 KGAFRO CC(C)COC[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026658704 561809934 /nfs/dbraw/zinc/80/99/34/561809934.db2.gz BRDWSYKDGOVQJG-MUUNZHRXSA-N 1 0 549.653 3.460 1 0 KGAFRO CC(C)COC[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026658709 561809897 /nfs/dbraw/zinc/80/98/97/561809897.db2.gz BRDWSYKDGOVQJG-NDEPHWFRSA-N 1 0 549.653 3.460 1 0 KGAFRO CCCOC[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026659111 561810014 /nfs/dbraw/zinc/81/00/14/561810014.db2.gz KNDRHFIIOXMOMD-HHHXNRCGSA-N 1 0 535.626 3.214 1 0 KGAFRO CCCOC[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026659117 561810030 /nfs/dbraw/zinc/81/00/30/561810030.db2.gz KNDRHFIIOXMOMD-MHZLTWQESA-N 1 0 535.626 3.214 1 0 KGAFRO C[C@@H](O)C[NH2+]C(C)(C)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026659209 561810023 /nfs/dbraw/zinc/81/00/23/561810023.db2.gz SVVUPQGHOYWEIT-FQRUVTKNSA-N 1 0 553.667 3.247 1 0 KGAFRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000026661024 561810372 /nfs/dbraw/zinc/81/03/72/561810372.db2.gz PJSSGYOORDRLIP-WUFINQPMSA-N 1 0 604.752 3.202 1 0 KGAFRO CC(C)OC[C@@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026662562 561810613 /nfs/dbraw/zinc/81/06/13/561810613.db2.gz BJQLQULIQREYIS-HHHXNRCGSA-N 1 0 535.626 3.212 1 0 KGAFRO CC(C)OC[C@]1(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)CC(c2cccc(C(N)=[NH2+])c2)=NO1 ZINC000026662568 561810614 /nfs/dbraw/zinc/81/06/14/561810614.db2.gz BJQLQULIQREYIS-MHZLTWQESA-N 1 0 535.626 3.212 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000026664090 561810875 /nfs/dbraw/zinc/81/08/75/561810875.db2.gz QWAXKHKRTORLEM-AZFKVOMOSA-N 1 0 670.855 3.092 1 0 fda KGAFRO NC(=[NH2+])c1cccc(C2=NO[C@@](C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)(C(F)(F)F)C2)c1 ZINC000026665389 561811149 /nfs/dbraw/zinc/81/11/49/561811149.db2.gz MFKRXTPHKUWERL-QHCPKHFHSA-N 1 0 531.516 3.349 1 0 KGAFRO NC(=[NH2+])c1cccc(C2=NO[C@](C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)(C(F)(F)F)C2)c1 ZINC000026665394 561811178 /nfs/dbraw/zinc/81/11/78/561811178.db2.gz MFKRXTPHKUWERL-HSZRJFAPSA-N 1 0 531.516 3.349 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000026668958 561811922 /nfs/dbraw/zinc/81/19/22/561811922.db2.gz PGNVZOWWCORLLI-ALJNDBQTSA-N 1 0 754.011 3.333 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSCC(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000026668963 561811951 /nfs/dbraw/zinc/81/19/51/561811951.db2.gz PGNVZOWWCORLLI-LJADHVKFSA-N 1 0 754.011 3.333 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cnc2ccccc2c1 ZINC000026671992 561812650 /nfs/dbraw/zinc/81/26/50/561812650.db2.gz WQMKRGQVCNMUGS-VYSQGZTMSA-N 1 0 670.855 3.092 1 0 KGAFRO CSC[C@H](NC(=O)[C@@H](CC(=O)N1CCC([NH3+])CC1)Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CCc1ccccn1 ZINC000026674548 561813451 /nfs/dbraw/zinc/81/34/51/561813451.db2.gz CODOKNHEUZGLDK-JUPBFQDBSA-N 1 0 681.944 3.238 1 0 KGAFRO C[NH2+]CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C ZINC000026726660 561815986 /nfs/dbraw/zinc/81/59/86/561815986.db2.gz CGKLNZWWFBDLEG-UNFRKHOWSA-N 1 0 568.759 3.209 1 0 KGAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[NH+](C)C)c(Cl)c(=O)oc3c2C)OC1(C)C ZINC000026728208 561816300 /nfs/dbraw/zinc/81/63/00/561816300.db2.gz BNLDPGBKNUNMHV-WJKQRCEYSA-N 1 0 579.046 3.447 1 0 KGAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(C[NH+]4CCCC4)cc(=O)oc3c2C)OC1(C)C ZINC000026729407 561816539 /nfs/dbraw/zinc/81/65/39/561816539.db2.gz NQLCXUMKJKJCJV-REEOSCTQSA-N 1 0 540.613 3.449 1 0 KGAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCCN4CC[NH+](C)CC4)c(Cl)c(=O)oc3c2C)OC1(C)C ZINC000026730355 561816611 /nfs/dbraw/zinc/81/66/11/561816611.db2.gz DCWZRWOIVNSIHR-GVKHJSTMSA-N 1 0 634.126 3.133 1 0 KGAFRO NC(=[NH2+])c1cccc(C(=O)N[C@@H](C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2ccccc2)c1 ZINC000026736738 561817593 /nfs/dbraw/zinc/81/75/93/561817593.db2.gz FYNBULMHFONNTQ-RUZDIDTESA-N 1 0 527.606 3.395 1 0 KGAFRO NC(=[NH2+])c1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000026736816 561817621 /nfs/dbraw/zinc/81/76/21/561817621.db2.gz GFNNYWHGGRIURL-AREMUKBSSA-N 1 0 553.644 3.491 1 0 KGAFRO NC(=[NH2+])c1cccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000026736821 561817645 /nfs/dbraw/zinc/81/76/45/561817645.db2.gz GFNNYWHGGRIURL-SANMLTNESA-N 1 0 553.644 3.491 1 0 KGAFRO NC(=[NH2+])c1cccc(C(=O)N2Cc3ccc(O)cc3C[C@H]2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000026740451 561818062 /nfs/dbraw/zinc/81/80/62/561818062.db2.gz PLMQGUCIDWXZIM-SANMLTNESA-N 1 0 569.643 3.196 1 0 KGAFRO NC(=[NH2+])c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000026741949 561818244 /nfs/dbraw/zinc/81/82/44/561818244.db2.gz CHQNQZTUBMLBST-VWLOTQADSA-N 1 0 541.633 3.265 1 0 KGAFRO CS(=O)(=O)Nc1cc([C@@H](O)C[NH2+]CC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O ZINC000026742384 561818266 /nfs/dbraw/zinc/81/82/66/561818266.db2.gz DUPYGVGICIIQTC-NDEPHWFRSA-N 1 0 667.757 3.088 1 0 KGAFRO NC(=[NH2+])c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000026745191 561818631 /nfs/dbraw/zinc/81/86/31/561818631.db2.gz CHQNQZTUBMLBST-RUZDIDTESA-N 1 0 541.633 3.265 1 0 KGAFRO NC(=[NH2+])c1cccc(C(=O)N[C@H](C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c2ccccc2)c1 ZINC000026748062 561819176 /nfs/dbraw/zinc/81/91/76/561819176.db2.gz FYNBULMHFONNTQ-VWLOTQADSA-N 1 0 527.606 3.395 1 0 KGAFRO NC(=[NH2+])c1cccc(C(=O)N2Cc3ccc(O)cc3C[C@@H]2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000026748893 561819397 /nfs/dbraw/zinc/81/93/97/561819397.db2.gz PLMQGUCIDWXZIM-AREMUKBSSA-N 1 0 569.643 3.196 1 0 KGAFRO NC(=[NH2+])c1cccc(C(=O)N[C@@H](CC(=O)OC2CCCCC2)C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000026748917 561819381 /nfs/dbraw/zinc/81/93/81/561819381.db2.gz GDZVMDRTIMYAIH-VWLOTQADSA-N 1 0 591.690 3.288 1 0 KGAFRO O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(C[NH2+]C[C@H](O)COc3ccc(O)cc3)CC2)cc1 ZINC000026749208 561819390 /nfs/dbraw/zinc/81/93/90/561819390.db2.gz QAKKTLZWZARYJA-VWLOTQADSA-N 1 0 604.676 3.422 1 0 KGAFRO O=C(Nc1ccc(S(=O)(=O)N2CCC(C[NH2+]C[C@H](O)COc3ccc(O)cc3)CC2)cc1)NC1CCCCC1 ZINC000026749807 561819515 /nfs/dbraw/zinc/81/95/15/561819515.db2.gz IEPISVCAMUYFSM-VWLOTQADSA-N 1 0 560.717 3.277 1 0 KGAFRO O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCC(C[NH2+]C[C@H](O)COc3ccc(O)cc3)CC2)cc1 ZINC000026749812 561819475 /nfs/dbraw/zinc/81/94/75/561819475.db2.gz JKBJGEBTZREIFV-VWLOTQADSA-N 1 0 554.669 3.466 1 0 KGAFRO NC(=[NH2+])c1cccc(/C(=C(/F)C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n2cccn2)c1 ZINC000026752948 561820168 /nfs/dbraw/zinc/82/01/68/561820168.db2.gz PRFXVILGMVRHGM-FCQUAONHSA-N 1 0 504.547 3.307 1 0 KGAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(N(CCF)CCF)cc4)cn3C)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000026817011 561820374 /nfs/dbraw/zinc/82/03/74/561820374.db2.gz UJBUJYUKEIXDQI-UHFFFAOYSA-N 1 0 664.718 3.260 1 0 KGAFRO CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCCCC[NH3+])C(C)C)C(=O)NCc1ccccc1 ZINC000026825996 561821988 /nfs/dbraw/zinc/82/19/88/561821988.db2.gz NNIGRBMKHHHZSZ-ALKAVZJCSA-N 1 0 714.952 3.350 1 0 KGAFRO COCc1ccc(C([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(COC)cc2)cc1 ZINC000026827019 561822134 /nfs/dbraw/zinc/82/21/34/561822134.db2.gz GFZZBNMEORSAMA-VWLOTQADSA-N 1 0 500.617 3.469 1 0 KGAFRO C[C@H](O)C[NH2+]C(C)(C)CNC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026830433 561822830 /nfs/dbraw/zinc/82/28/30/561822830.db2.gz AOSRCFXXOGHDIG-KDYSTLNUSA-N 1 0 582.709 3.430 1 0 KGAFRO C[C@@H](O)C[NH2+]C(C)(C)CNC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026830437 561822880 /nfs/dbraw/zinc/82/28/80/561822880.db2.gz AOSRCFXXOGHDIG-JIPXPUAJSA-N 1 0 582.709 3.430 1 0 KGAFRO NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000026831333 561823080 /nfs/dbraw/zinc/82/30/80/561823080.db2.gz ZPXYCOTYQCAIOD-MUUNZHRXSA-N 1 0 575.735 3.265 1 0 KGAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000026831338 561823127 /nfs/dbraw/zinc/82/31/27/561823127.db2.gz ZPXYCOTYQCAIOD-NDEPHWFRSA-N 1 0 575.735 3.265 1 0 KGAFRO CC(C)([NH3+])NC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000026832626 561823335 /nfs/dbraw/zinc/82/33/35/561823335.db2.gz BLNNLBPPRNJHAT-HSZRJFAPSA-N 1 0 510.602 3.376 1 0 KGAFRO NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000026833218 561823409 /nfs/dbraw/zinc/82/34/09/561823409.db2.gz FVLGQHJQXSNNFU-MUUNZHRXSA-N 1 0 541.677 3.362 1 0 KGAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000026833222 561823471 /nfs/dbraw/zinc/82/34/71/561823471.db2.gz FVLGQHJQXSNNFU-NDEPHWFRSA-N 1 0 541.677 3.362 1 0 KGAFRO NC(=[NH2+])N[C@@H](C(=O)NCC(=O)N1CCC(c2nc(-c3ccc(Cl)cc3Cl)no2)CC1)C1CCCCC1 ZINC000026834678 561823873 /nfs/dbraw/zinc/82/38/73/561823873.db2.gz GDKUZGFWZLGNRP-HXUWFJFHSA-N 1 0 536.464 3.298 1 0 KGAFRO CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(S(C)(=O)=O)CC2)c(C(C)C)c1 ZINC000026835206 561824106 /nfs/dbraw/zinc/82/41/06/561824106.db2.gz OBICCCFHLMVXDQ-HHHXNRCGSA-N 1 0 619.854 3.334 1 0 KGAFRO NC(=[NH2+])c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000026836421 561824548 /nfs/dbraw/zinc/82/45/48/561824548.db2.gz WXGVLBLPMZPYCV-MUUNZHRXSA-N 1 0 585.686 3.357 1 0 KGAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)Oc3ccccc3)CC2)c1 ZINC000026836425 561824542 /nfs/dbraw/zinc/82/45/42/561824542.db2.gz WXGVLBLPMZPYCV-NDEPHWFRSA-N 1 0 585.686 3.357 1 0 KGAFRO CCCCCC(=O)N1CCN(C(=O)[C@@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026838941 561825234 /nfs/dbraw/zinc/82/52/34/561825234.db2.gz CROIYCWSNRBUTI-HHHXNRCGSA-N 1 0 563.724 3.265 1 0 KGAFRO CCCCCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026838945 561825201 /nfs/dbraw/zinc/82/52/01/561825201.db2.gz CROIYCWSNRBUTI-MHZLTWQESA-N 1 0 563.724 3.265 1 0 KGAFRO CC(C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C ZINC000026841086 561825862 /nfs/dbraw/zinc/82/58/62/561825862.db2.gz MPJMHWQKYUWWPT-UNHBOTDCSA-N 1 0 550.744 3.353 1 0 KGAFRO CC(C)OC(=O)CN(CCOc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=[NH2+])c1 ZINC000026847692 561826811 /nfs/dbraw/zinc/82/68/11/561826811.db2.gz XGDZNKOSUZDLAP-UHFFFAOYSA-N 1 0 510.616 3.122 1 0 KGAFRO CCSCC[C@@H]([NH3+])[C@H](O)C(=O)Nc1ccc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000026936178 561827564 /nfs/dbraw/zinc/82/75/64/561827564.db2.gz LHZSYOAHKZZQNZ-XQXXAQTASA-N 1 0 503.621 3.134 1 0 KGAFRO COc1cc(/C=C/C(=O)Nc2ccc(NC(=O)[C@@H](O)[C@H]([NH3+])Cc3ccccc3)cc2)cc(OC)c1OC ZINC000026938004 561827851 /nfs/dbraw/zinc/82/78/51/561827851.db2.gz RFZREDVZJWUYCP-PEDYAIFJSA-N 1 0 505.571 3.234 1 0 KGAFRO CCNC(=O)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000026944413 561828340 /nfs/dbraw/zinc/82/83/40/561828340.db2.gz SUVVGGNTFOTDPX-FSYRHIKOSA-N 1 0 528.653 3.434 1 0 KGAFRO CC(C)(Cc1ccc(NS(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)[NH2+]C[C@H](O)c1cccnc1 ZINC000026944941 561828323 /nfs/dbraw/zinc/82/83/23/561828323.db2.gz JZVJBLHFGKBANL-MHZLTWQESA-N 1 0 523.703 3.200 1 0 KGAFRO CC[C@@H](C)C[NH2+]CCc1c2c(nc3cc4c(cc31)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC ZINC000026945452 561828472 /nfs/dbraw/zinc/82/84/72/561828472.db2.gz HCYDKNZCBDCGFI-HYDGNGQDSA-N 1 0 519.598 3.029 1 0 KGAFRO CC[C@H](C)C[NH2+]CCc1c2c(nc3cc4c(cc31)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC ZINC000026945464 561828400 /nfs/dbraw/zinc/82/84/00/561828400.db2.gz HCYDKNZCBDCGFI-GUNSETOZSA-N 1 0 519.598 3.029 1 0 KGAFRO CC[C@@H](C)C[NH2+]CCc1c2c(nc3cc4c(cc31)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000026945472 561828457 /nfs/dbraw/zinc/82/84/57/561828457.db2.gz HCYDKNZCBDCGFI-BCOMRZATSA-N 1 0 519.598 3.029 1 0 KGAFRO CC[C@H](C)C[NH2+]CCc1c2c(nc3cc4c(cc31)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000026945481 561828418 /nfs/dbraw/zinc/82/84/18/561828418.db2.gz HCYDKNZCBDCGFI-OFJJUDJNSA-N 1 0 519.598 3.029 1 0 KGAFRO CC(C)([NH3+])CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026965054 561829916 /nfs/dbraw/zinc/82/99/16/561829916.db2.gz OUGXQCHJTXJTGP-AREMUKBSSA-N 1 0 536.640 3.486 1 0 KGAFRO CN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(=O)[C@@H](CCc1ccccc1)NC(=O)C(C)(C)[NH3+] ZINC000026965174 561829999 /nfs/dbraw/zinc/82/99/99/561829999.db2.gz WORBOXCALCGZPG-RUZDIDTESA-N 1 0 511.630 3.347 1 0 KGAFRO NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)Nc5ccc(-c6c[nH]cn6)cc5)cc4)CC3)cc2c1 ZINC000026974046 561830651 /nfs/dbraw/zinc/83/06/51/561830651.db2.gz VBAJPKSMBCMKKL-UHFFFAOYSA-N 1 0 621.654 3.488 1 0 KGAFRO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CCN(Cc2cc3ccccc3o2)C[C@H]1C(=O)NCC(F)(F)F ZINC000026983596 561831614 /nfs/dbraw/zinc/83/16/14/561831614.db2.gz LLRKKARNQCFJDO-NKBKYVEPSA-N 1 0 695.739 3.213 1 0 KGAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(C(C)(C)C)C(=O)[C@]2(Cc2ccccc2)C1 ZINC000026984751 561831743 /nfs/dbraw/zinc/83/17/43/561831743.db2.gz HOIUDRXSGSZSMJ-WBBHLRKXSA-N 1 0 583.680 3.162 1 0 KGAFRO CC(C)([NH3+])C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(C(C)(C)C)C(=O)[C@@]2(Cc2ccccc2)C1 ZINC000026984759 561831709 /nfs/dbraw/zinc/83/17/09/561831709.db2.gz HOIUDRXSGSZSMJ-XJFCNFDWSA-N 1 0 583.680 3.162 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000026985532 561831880 /nfs/dbraw/zinc/83/18/80/561831880.db2.gz QWAXKHKRTORLEM-RWVVMXMGSA-N 1 0 670.855 3.092 1 0 fda KGAFRO O=C(N[C@H]1c2ccccc2OC[C@H]1O)[C@H](Cc1cccnc1)C[C@H](O)CN1CCN(CC2=C[C@@H]3C=CS[C@@H]3S2)C[C@H]1C(=O)NCC(F)(F)F ZINC000026986787 561831946 /nfs/dbraw/zinc/83/19/46/561831946.db2.gz XJPWYIFOSHVNSZ-LUBZPWGASA-N 1 0 719.852 3.100 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000026990443 561832375 /nfs/dbraw/zinc/83/23/75/561832375.db2.gz KWJAFFUEDWUZAR-WOVUZPOESA-N 1 0 649.833 3.041 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000026990458 561832541 /nfs/dbraw/zinc/83/25/41/561832541.db2.gz KWJAFFUEDWUZAR-HBWLJETMSA-N 1 0 649.833 3.041 1 0 KGAFRO CC(=O)Nc1ccc(C[NH2+]CC2(O)CC[NH+](CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1 ZINC000026997746 561833557 /nfs/dbraw/zinc/83/35/57/561833557.db2.gz QHSQQOSVPLHIRM-UHFFFAOYSA-N 1 0 501.635 3.256 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027087502 561836604 /nfs/dbraw/zinc/83/66/04/561836604.db2.gz VYIHZJSZTPZPBS-GMKPQLIGSA-N 1 0 521.702 3.140 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000027087509 561836687 /nfs/dbraw/zinc/83/66/87/561836687.db2.gz VYIHZJSZTPZPBS-NLAWYYDQSA-N 1 0 521.702 3.140 1 0 KGAFRO CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)COc1ccccn1 ZINC000027101856 561839030 /nfs/dbraw/zinc/83/90/30/561839030.db2.gz GLGHTVSPWJNXLJ-KRCBVYEFSA-N 1 0 655.862 3.295 1 0 KGAFRO CCCNC(=O)c1ccc(NC(=O)[C@@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 ZINC000027102253 561839006 /nfs/dbraw/zinc/83/90/06/561839006.db2.gz JGCVLBQWIPMLIG-WNJJXGMVSA-N 1 0 584.695 3.089 1 0 KGAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000027102312 561839089 /nfs/dbraw/zinc/83/90/89/561839089.db2.gz YFSMSVTWATWTTE-AHWVRZQESA-N 1 0 513.616 3.258 1 0 KGAFRO C[NH2+][C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000027104724 561839728 /nfs/dbraw/zinc/83/97/28/561839728.db2.gz OEJIVAWEKRZHJP-ZYADHFCISA-N 1 0 675.830 3.033 1 0 KGAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2C)cc1 ZINC000027105767 561839956 /nfs/dbraw/zinc/83/99/56/561839956.db2.gz YPBNVIORRRKXKG-AHWVRZQESA-N 1 0 513.616 3.258 1 0 KGAFRO CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ncc(CO)n1C ZINC000027105854 561840137 /nfs/dbraw/zinc/84/01/37/561840137.db2.gz UICFCOFDSWADFQ-ORYMTKCHSA-N 1 0 718.987 3.230 1 0 KGAFRO CCOC(=O)[C@@H]1C[C@@H](Oc2c(F)c(Oc3cccc(C4=[NH+]CCN4C)c3)nc(Oc3cc(C(N)=[NH2+])ccc3[O-])c2F)CN1 ZINC000027106256 561840237 /nfs/dbraw/zinc/84/02/37/561840237.db2.gz AOOVDEATYRPCIJ-MOPGFXCFSA-N 1 0 596.591 3.298 1 0 KGAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ncccc2c1 ZINC000027106262 561840339 /nfs/dbraw/zinc/84/03/39/561840339.db2.gz NMHRYPDIQPXOOQ-ZXRKZBAXSA-N 1 0 551.647 3.167 1 0 KGAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1 ZINC000027106533 561840228 /nfs/dbraw/zinc/84/02/28/561840228.db2.gz RJEBRRIKWARPIG-ZXRKZBAXSA-N 1 0 551.647 3.167 1 0 KGAFRO CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC([NH3+])CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)COc1ccncc1 ZINC000027108570 561840841 /nfs/dbraw/zinc/84/08/41/561840841.db2.gz KLENYDNRGAWIAG-ORYMTKCHSA-N 1 0 655.862 3.295 1 0 in-vitro KGAFRO COc1ccc([C@H]([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000027109315 561840956 /nfs/dbraw/zinc/84/09/56/561840956.db2.gz DTIGTHXBZCFSQT-GOTSBHOMSA-N 1 0 520.007 3.429 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000027179768 561841639 /nfs/dbraw/zinc/84/16/39/561841639.db2.gz RCJHFKYFTWOAKY-KCHLEUMXSA-N 1 0 528.653 3.236 1 0 KGAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cnccc21 ZINC000027182218 561842007 /nfs/dbraw/zinc/84/20/07/561842007.db2.gz DQJSXDFUBSMJPO-ZXRKZBAXSA-N 1 0 551.647 3.167 1 0 KGAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2cccnc21 ZINC000027183987 561842192 /nfs/dbraw/zinc/84/21/92/561842192.db2.gz KDBLJIPARKRCBG-MYKRZTLLSA-N 1 0 551.647 3.167 1 0 KGAFRO COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(N)=[NH2+])s1)C(c1ccccc1)c1ccccc1 ZINC000027187089 561842800 /nfs/dbraw/zinc/84/28/00/561842800.db2.gz CYNABVDJWVHYLL-XUZZJYLKSA-N 1 0 533.654 3.196 1 0 KGAFRO COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(C(N)=[NH2+])cs1)C(c1ccccc1)c1ccccc1 ZINC000027189815 561843331 /nfs/dbraw/zinc/84/33/31/561843331.db2.gz LSPQMWDIHSJKDD-LADGPHEKSA-N 1 0 533.654 3.196 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@H](O)CNC(=O)[C@@H]1N[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027196417 561844413 /nfs/dbraw/zinc/84/44/13/561844413.db2.gz XJHMCPFZQMVQJB-WDJZTPSCSA-N 1 0 735.008 3.113 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@H](O)CNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027196425 561844369 /nfs/dbraw/zinc/84/43/69/561844369.db2.gz XJHMCPFZQMVQJB-MEYBDYHWSA-N 1 0 735.008 3.113 1 0 KGAFRO C[C@@H](O)CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)[NH3+] ZINC000027197078 561844507 /nfs/dbraw/zinc/84/45/07/561844507.db2.gz DWUSBSNQJAVZQW-LBBUWDOLSA-N 1 0 572.750 3.460 1 0 KGAFRO CC[NH+](CC)C[C@@H]1CCCC(=O)OC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027203246 561845463 /nfs/dbraw/zinc/84/54/63/561845463.db2.gz MBXIQNNQZWUDGS-QOJCGITLSA-N 1 0 702.890 3.404 1 0 KGAFRO CC[NH+](CC)C[C@H]1CCCC(=O)OC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027203251 561845459 /nfs/dbraw/zinc/84/54/59/561845459.db2.gz MBXIQNNQZWUDGS-TWAXBAAASA-N 1 0 702.890 3.404 1 0 KGAFRO CC[NH+](CC)C[C@@H]1CCCC(=O)OC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027203257 561845503 /nfs/dbraw/zinc/84/55/03/561845503.db2.gz MBXIQNNQZWUDGS-WRPDIKACSA-N 1 0 702.890 3.404 1 0 KGAFRO CC[NH+](CC)C[C@H]1CCCC(=O)OC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)C(=O)O1 ZINC000027203261 561845489 /nfs/dbraw/zinc/84/54/89/561845489.db2.gz MBXIQNNQZWUDGS-MCLUNMOSSA-N 1 0 702.890 3.404 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1N[C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027203470 561845570 /nfs/dbraw/zinc/84/55/70/561845570.db2.gz XJHMCPFZQMVQJB-BUGQMNOXSA-N 1 0 735.008 3.113 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)CNC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000027203476 561845586 /nfs/dbraw/zinc/84/55/86/561845586.db2.gz XJHMCPFZQMVQJB-LKCRZQLKSA-N 1 0 735.008 3.113 1 0 KGAFRO COC(=O)c1cc([C@@H](C)NC(=O)CNC(=O)Nc2ccc(C(N)=[NH2+])cc2)ccc1OCc1ccccc1 ZINC000027206215 561845932 /nfs/dbraw/zinc/84/59/32/561845932.db2.gz ILFVJSGGVQDQIN-QGZVFWFLSA-N 1 0 503.559 3.335 1 0 KGAFRO COC(=O)c1cc([C@H](C)NC(=O)CNC(=O)Nc2ccc(C(N)=[NH2+])cc2)ccc1OCc1ccccc1 ZINC000027206220 561845973 /nfs/dbraw/zinc/84/59/73/561845973.db2.gz ILFVJSGGVQDQIN-KRWDZBQOSA-N 1 0 503.559 3.335 1 0 KGAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4nccc5ccccc54)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027308772 561850208 /nfs/dbraw/zinc/85/02/08/561850208.db2.gz KNBGGQZOOWDCFX-UHFFFAOYSA-N 1 0 608.703 3.484 1 0 KGAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000027309174 561850352 /nfs/dbraw/zinc/85/03/52/561850352.db2.gz ZHPIUVNWFCMHKG-UHFFFAOYSA-N 1 0 654.197 3.151 1 0 KGAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4sccc4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000027309179 561850387 /nfs/dbraw/zinc/85/03/87/561850387.db2.gz JDGJXKRLLUPBIT-UHFFFAOYSA-N 1 0 655.181 3.360 1 0 KGAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4csc(-c5cccnc5)n4)cn3C)cn2C)cc1C(=O)NCCN1CCOCC1 ZINC000027309367 561850346 /nfs/dbraw/zinc/85/03/46/561850346.db2.gz GGJUVEWOHIKZRU-UHFFFAOYSA-N 1 0 641.758 3.454 1 0 KGAFRO CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@@H](c1ccccc1)[NH+](C)C ZINC000027312492 561850933 /nfs/dbraw/zinc/85/09/33/561850933.db2.gz BAMOWEPNOWRITR-LGUCMKPVSA-N 1 0 683.795 3.390 1 0 KGAFRO CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@H](O)[C@H](c1ccccc1)[NH+](C)C ZINC000027312497 291777263 /nfs/dbraw/zinc/77/72/63/291777263.db2.gz BAMOWEPNOWRITR-CHPRBJBJSA-N 1 0 683.795 3.390 1 0 biogenic,in-vitro KGAFRO CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@@H](O)[C@@H](c1ccccc1)[NH+](C)C ZINC000027312500 561850937 /nfs/dbraw/zinc/85/09/37/561850937.db2.gz BAMOWEPNOWRITR-UTPYVNHNSA-N 1 0 683.795 3.390 1 0 KGAFRO CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)[C@@H](O)[C@H](c1ccccc1)[NH+](C)C ZINC000027312504 561850947 /nfs/dbraw/zinc/85/09/47/561850947.db2.gz BAMOWEPNOWRITR-RAROPTEOSA-N 1 0 683.795 3.390 1 0 KGAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC000027317322 561851881 /nfs/dbraw/zinc/85/18/81/561851881.db2.gz IXUVYBXOOQUFFT-BYMHMWHSSA-N 1 0 567.796 3.392 1 0 KGAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC000027317324 561851924 /nfs/dbraw/zinc/85/19/24/561851924.db2.gz IXUVYBXOOQUFFT-QWGWHRCQSA-N 1 0 567.796 3.392 1 0 KGAFRO CC(C)[C@H]([NH3+])C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C ZINC000027318819 561852165 /nfs/dbraw/zinc/85/21/65/561852165.db2.gz PPWHAMJHWSQFJG-TVFROPFISA-N 1 0 529.747 3.034 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000027320509 561852561 /nfs/dbraw/zinc/85/25/61/561852561.db2.gz RWANRVIIPZQBLE-YTCPBCGMSA-N 1 0 695.912 3.260 1 0 KGAFRO CC(C)C[C@H]([NH3+])C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C ZINC000027321629 561852700 /nfs/dbraw/zinc/85/27/00/561852700.db2.gz ZJESXGUEVDCNLC-YXUAIILISA-N 1 0 543.774 3.424 1 0 KGAFRO COc1ccc([C@H](c2ccccc2)C2CC[NH+](CCCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000027322851 561852988 /nfs/dbraw/zinc/85/29/88/561852988.db2.gz ORHSPBYMZSXKOO-VWLOTQADSA-N 1 0 501.631 3.377 1 0 KGAFRO COc1ccc([C@@H](c2ccccc2)C2CC[NH+](CCCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000027322857 561853018 /nfs/dbraw/zinc/85/30/18/561853018.db2.gz ORHSPBYMZSXKOO-RUZDIDTESA-N 1 0 501.631 3.377 1 0 KGAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC000027324521 561853242 /nfs/dbraw/zinc/85/32/42/561853242.db2.gz MJYXHDTVRYPNCQ-PEMRLZPOSA-N 1 0 541.758 3.050 1 0 KGAFRO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@H]1CCC[NH2+]C1)C2 ZINC000027324526 561853281 /nfs/dbraw/zinc/85/32/81/561853281.db2.gz MJYXHDTVRYPNCQ-NKHHQPSRSA-N 1 0 541.758 3.050 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 ZINC000027330149 561854664 /nfs/dbraw/zinc/85/46/64/561854664.db2.gz DTHUWSMUMMQSMV-YTCPBCGMSA-N 1 0 724.309 3.186 1 0 KGAFRO CC(C)S(=O)(=O)N1CCC(C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)CC1 ZINC000027407015 561855645 /nfs/dbraw/zinc/85/56/45/561855645.db2.gz WNWXKXRXXZUWLW-PUUVEUEGSA-N 1 0 619.829 3.162 1 0 KGAFRO CC(C)S(=O)(=O)N1CCC(C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)CC1 ZINC000027407019 561855646 /nfs/dbraw/zinc/85/56/46/561855646.db2.gz WNWXKXRXXZUWLW-NJTBCWBZSA-N 1 0 619.829 3.162 1 0 KGAFRO Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCCC(=O)NCC[NH3+])C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C ZINC000027412823 561856703 /nfs/dbraw/zinc/85/67/03/561856703.db2.gz IMOPEGCRCTVYIF-ZIINUWHCSA-N 1 0 711.926 3.162 1 0 KGAFRO CC(C)S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)C1 ZINC000027413536 561856817 /nfs/dbraw/zinc/85/68/17/561856817.db2.gz NZILHJXIEFUDNZ-ZKBLBJRCSA-N 1 0 619.829 3.162 1 0 KGAFRO CC(C)S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)C1 ZINC000027413541 561856840 /nfs/dbraw/zinc/85/68/40/561856840.db2.gz NZILHJXIEFUDNZ-XQVMISGQSA-N 1 0 619.829 3.162 1 0 KGAFRO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1 ZINC000027430225 561859179 /nfs/dbraw/zinc/85/91/79/561859179.db2.gz SMGJLVKJUBCWKY-STXQHDJLSA-N 1 0 519.690 3.416 1 0 KGAFRO O=C(CCNC(=O)[C@H]1CCC[NH2+]C1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000027433000 561859589 /nfs/dbraw/zinc/85/95/89/561859589.db2.gz PYZNQWVWNZMBOX-LBNVMWSVSA-N 1 0 612.219 3.354 1 0 KGAFRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]C1)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000027434405 561859813 /nfs/dbraw/zinc/85/98/13/561859813.db2.gz PYZNQWVWNZMBOX-LEAFIULHSA-N 1 0 612.219 3.354 1 0 KGAFRO C[NH+](C)CCC(=O)NCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000027435195 561859983 /nfs/dbraw/zinc/85/99/83/561859983.db2.gz RQMFORFDNYSMEN-HHHXNRCGSA-N 1 0 600.208 3.306 1 0 KGAFRO COc1ccc(C[C@H](NC(=O)C2CC[NH+](C)CC2)C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 ZINC000027521602 561864017 /nfs/dbraw/zinc/86/40/17/561864017.db2.gz UDNLZERMUNITOB-PJRHAEEISA-N 1 0 699.959 3.471 1 0 KGAFRO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC(C)(C)[NH3+])OC1=O ZINC000027521729 561864179 /nfs/dbraw/zinc/86/41/79/561864179.db2.gz TUHDBWXMKMTGCV-WRPDIKACSA-N 1 0 699.915 3.296 1 0 KGAFRO COc1ccc(C[C@H](NC(=O)CC(C)(C)[NH3+])C(=O)N[C@@H](Cc2cscn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 ZINC000027521730 561864191 /nfs/dbraw/zinc/86/41/91/561864191.db2.gz HNBXPQHKNAVDFZ-WRPDIKACSA-N 1 0 673.921 3.257 1 0 KGAFRO CCOC(=O)CCCN(C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(N)=[NH2+])cc2)cc1)C(C(=O)OCC)C(=O)OCC ZINC000027522946 561864639 /nfs/dbraw/zinc/86/46/39/561864639.db2.gz PDPPCSUXTNJIFU-FMQUCBEESA-N 1 0 595.649 3.260 1 0 KGAFRO COCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000027523977 561865458 /nfs/dbraw/zinc/86/54/58/561865458.db2.gz AOKZGGWSSNWWSS-GWMMUDDPSA-N 1 0 573.731 3.196 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)CCCO ZINC000027524160 561865517 /nfs/dbraw/zinc/86/55/17/561865517.db2.gz ZMYTWNFXWBZWBX-YVHASNINSA-N 1 0 587.758 3.322 1 0 KGAFRO CC(C)OC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000027524356 561865680 /nfs/dbraw/zinc/86/56/80/561865680.db2.gz SHSFKTFXOCOVTL-SANMLTNESA-N 1 0 550.681 3.204 1 0 KGAFRO CC(C)OC(=O)[C@H]1CCCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000027525855 561866140 /nfs/dbraw/zinc/86/61/40/561866140.db2.gz QANKSDVNEIMBIU-AHWVRZQESA-N 1 0 550.681 3.204 1 0 KGAFRO COC(=O)c1ccccc1N1CC[NH+](CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000027526393 561866233 /nfs/dbraw/zinc/86/62/33/561866233.db2.gz FANFEKCLDFPOHE-RUZDIDTESA-N 1 0 585.608 3.187 1 0 KGAFRO COC(=O)c1ccccc1N1CC[NH+](CCCNC(=O)N2C(=O)NC(C)=C(C(=O)OC)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000027526395 561866237 /nfs/dbraw/zinc/86/62/37/561866237.db2.gz FANFEKCLDFPOHE-VWLOTQADSA-N 1 0 585.608 3.187 1 0 KGAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccccc3O)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027526859 561866365 /nfs/dbraw/zinc/86/63/65/561866365.db2.gz FDRLNNNWCSSRPY-XMMPIXPASA-N 1 0 543.571 3.106 1 0 KGAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccccc3O)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027526861 561866422 /nfs/dbraw/zinc/86/64/22/561866422.db2.gz FDRLNNNWCSSRPY-DEOSSOPVSA-N 1 0 543.571 3.106 1 0 KGAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc2nonc2c1 ZINC000027526913 561866392 /nfs/dbraw/zinc/86/63/92/561866392.db2.gz LUKZCSDJGOLWJZ-RUZDIDTESA-N 1 0 590.637 3.043 1 0 KGAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc2nonc2c1 ZINC000027526915 561866373 /nfs/dbraw/zinc/86/63/73/561866373.db2.gz LUKZCSDJGOLWJZ-VWLOTQADSA-N 1 0 590.637 3.043 1 0 KGAFRO CCC1=C(C(N)=O)[C@@H](c2ccc(F)cc2F)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 ZINC000027546988 561866888 /nfs/dbraw/zinc/86/68/88/561866888.db2.gz OAFCUWPULJWWTF-RUZDIDTESA-N 1 0 583.636 3.487 1 0 KGAFRO CCC1=C(C(N)=O)[C@H](c2ccc(F)cc2F)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 ZINC000027546991 561866876 /nfs/dbraw/zinc/86/68/76/561866876.db2.gz OAFCUWPULJWWTF-VWLOTQADSA-N 1 0 583.636 3.487 1 0 KGAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccccc3OC)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000027547473 561867110 /nfs/dbraw/zinc/86/71/10/561867110.db2.gz VRERDSWPFMZSEX-RUZDIDTESA-N 1 0 557.598 3.409 1 0 KGAFRO COC(=O)C1=C(C)NC(=O)N(C(=O)NCCC[NH+]2CCN(c3ccccc3OC)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000027547476 561867177 /nfs/dbraw/zinc/86/71/77/561867177.db2.gz VRERDSWPFMZSEX-VWLOTQADSA-N 1 0 557.598 3.409 1 0 KGAFRO CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 ZINC000027549459 561867598 /nfs/dbraw/zinc/86/75/98/561867598.db2.gz LNSBIIRHKIFEDU-JXHHNEAKSA-N 1 0 577.129 3.063 1 0 KGAFRO CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])C(C)(C)C)C(=O)NCc1ccccc1 ZINC000027549520 561867655 /nfs/dbraw/zinc/86/76/55/561867655.db2.gz VJHZDWQWSCSDRT-PCYHVKPNSA-N 1 0 615.819 3.064 1 0 KGAFRO COC(=O)[C@@H](NC(=O)[C@H]([NH2+]Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000027552162 561868219 /nfs/dbraw/zinc/86/82/19/561868219.db2.gz BTSNEWNEOLLQIV-IJLINHMISA-N 1 0 660.812 3.498 1 0 KGAFRO COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2)[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000027554347 561869071 /nfs/dbraw/zinc/86/90/71/561869071.db2.gz FMZBEPMTBRXYIO-PPHPCMLKSA-N 1 0 606.727 3.135 1 0 KGAFRO CCOC(=O)[C@H](NCc1ccc(C[NH3+])cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C ZINC000027554623 561869094 /nfs/dbraw/zinc/86/90/94/561869094.db2.gz IGVLORCHXZNEBW-SYQUUIDJSA-N 1 0 604.748 3.206 1 0 KGAFRO CC(=O)NCc1ccc(C[NH2+][C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 ZINC000027555212 561869341 /nfs/dbraw/zinc/86/93/41/561869341.db2.gz JINBNBDWOWBTIS-WTOCPUKLSA-N 1 0 616.759 3.052 1 0 KGAFRO COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCC[NH+](C)C)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 ZINC000027555342 561869316 /nfs/dbraw/zinc/86/93/16/561869316.db2.gz QZXHATGDDANHJQ-RHAMUZCRSA-N 1 0 746.950 3.011 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000027555416 561869349 /nfs/dbraw/zinc/86/93/49/561869349.db2.gz HBPNWVMJYWUYSY-GLUANXAPSA-N 1 0 572.750 3.422 1 0 KGAFRO CCOC(=O)C1(c2ccccc2)CC[NH+](CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000027563283 561871412 /nfs/dbraw/zinc/87/14/12/561871412.db2.gz RZKNQTFDVDQOIV-LJAQVGFWSA-N 1 0 588.705 3.239 1 0 KGAFRO CCOC(=O)C1(c2ccccc2)CC[NH+](CCCNC(=O)C2=C(C)NC(C)=C(C(N)=O)[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000027563285 561871416 /nfs/dbraw/zinc/87/14/16/561871416.db2.gz RZKNQTFDVDQOIV-GDLZYMKVSA-N 1 0 588.705 3.239 1 0 KGAFRO NC(=O)N1CCN(C2C[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027564647 561871988 /nfs/dbraw/zinc/87/19/88/561871988.db2.gz BGDPOOZYXVGESF-VWLOTQADSA-N 1 0 508.494 3.034 1 0 KGAFRO CS(=O)(=O)NC1CCN(C2C[NH+](CC[C@@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027619730 561872389 /nfs/dbraw/zinc/87/23/89/561872389.db2.gz HEXDZNMIGUYTNE-SANMLTNESA-N 1 0 557.588 3.352 1 0 KGAFRO CS(=O)(=O)NC1CCN(C2C[NH+](CC[C@]3(c4ccc(Cl)c(Cl)c4)CCC(=O)N(CC4CC4)C3)C2)CC1 ZINC000027619735 561872401 /nfs/dbraw/zinc/87/24/01/561872401.db2.gz HEXDZNMIGUYTNE-AREMUKBSSA-N 1 0 557.588 3.352 1 0 KGAFRO O=C1c2cccc3cccc(c32)C(=O)N1CCNCC[NH2+]CCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000027630776 561873716 /nfs/dbraw/zinc/87/37/16/561873716.db2.gz UDCPZLTXBGJAEN-UHFFFAOYSA-N 1 0 506.562 3.064 1 0 KGAFRO CC(C)(C)OC(=O)NCC(=O)NCCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000027641312 561875325 /nfs/dbraw/zinc/87/53/25/561875325.db2.gz SKOOWXKYRWAFOE-UHFFFAOYSA-N 1 0 519.090 3.339 1 0 KGAFRO NC(=[NH2+])c1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)c1 ZINC000027645152 561875654 /nfs/dbraw/zinc/87/56/54/561875654.db2.gz OBSWDYLRJXHFOL-UHFFFAOYSA-N 1 0 529.504 3.137 1 0 KGAFRO CC(=[NH2+])N1CCC(Oc2ccc(N(Cc3cc4cc(C(N)=[NH2+])ccc4s3)S(=O)(=O)CC(=O)[O-])cc2)CC1 ZINC000027645341 561875669 /nfs/dbraw/zinc/87/56/69/561875669.db2.gz WOTDACOLCVTNCC-UHFFFAOYSA-N 1 0 543.671 3.447 1 0 KGAFRO COc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Br)cc1N1CC[NH2+]CC1 ZINC000027653119 561876921 /nfs/dbraw/zinc/87/69/21/561876921.db2.gz OCIBSJABYJIGGA-UHFFFAOYSA-N 1 0 505.232 3.431 1 0 KGAFRO Cc1nc2cc3c4c(cccc4C(=O)N(CCNCC[NH2+]CCN4C(=O)c5cccc6c7[nH]c(C)nc7cc(c65)C4=O)C3=O)c2[nH]1 ZINC000027653350 561876999 /nfs/dbraw/zinc/87/69/99/561876999.db2.gz NSFHQOHCCKKTBA-UHFFFAOYSA-N 1 0 614.666 3.434 1 0 KGAFRO COc1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2)cc1N1CC[NH2+]CC1 ZINC000027656703 561877781 /nfs/dbraw/zinc/87/77/81/561877781.db2.gz UVOSGSZEWAWRAU-UHFFFAOYSA-N 1 0 505.232 3.431 1 0 KGAFRO Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CC(C)(C)C(=O)NCC[NH3+])C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C ZINC000027709365 561879393 /nfs/dbraw/zinc/87/93/93/561879393.db2.gz OLIOXOHCRQSCND-SUXPEFEVSA-N 1 0 725.953 3.408 1 0 KGAFRO Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](OC(=O)CCC(=O)NCC[NH+](C)C)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C ZINC000027709833 561879411 /nfs/dbraw/zinc/87/94/11/561879411.db2.gz BLJPUTVOPJFZIE-VEYDHLCMSA-N 1 0 725.953 3.374 1 0 KGAFRO CCN(C(=O)[C@H](Cc1ccc(C(=[NH2+])NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCC1 ZINC000027710465 561879564 /nfs/dbraw/zinc/87/95/64/561879564.db2.gz RJEDXWKHDGAPOQ-VWLOTQADSA-N 1 0 507.660 3.309 1 0 KGAFRO CN(C(=O)[C@H](Cc1ccc(C(=[NH2+])NN)cc1)NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000027713048 561879884 /nfs/dbraw/zinc/87/98/84/561879884.db2.gz GYTCLWBKTAXCEI-VWLOTQADSA-N 1 0 507.660 3.309 1 0 KGAFRO CN1C(=O)[C@]23C[C@@H]4CC(C)(C)[C@@]5(C[C@@]41C[N@@H+]2CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000027713591 561879994 /nfs/dbraw/zinc/87/99/94/561879994.db2.gz BYZODIZALFDRTM-SVQMPZDQSA-N 1 0 507.631 3.186 1 0 KGAFRO CN1C(=O)[C@]23C[C@H]4CC(C)(C)[C@@]5(C[C@@]41C[N@@H+]2CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000027713596 561880040 /nfs/dbraw/zinc/88/00/40/561880040.db2.gz BYZODIZALFDRTM-MKLOUVIRSA-N 1 0 507.631 3.186 1 0 KGAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc([C@@H]4CCCO4)n3)c(F)c2)CC1 ZINC000027728408 561881123 /nfs/dbraw/zinc/88/11/23/561881123.db2.gz MXZBLJQANKORGT-DVECYGJZSA-N 1 0 555.607 3.442 1 0 KGAFRO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc([C@H]4CCCO4)n3)c(F)c2)CC1 ZINC000027728417 561881160 /nfs/dbraw/zinc/88/11/60/561881160.db2.gz MXZBLJQANKORGT-NTKDMRAZSA-N 1 0 555.607 3.442 1 0 KGAFRO Cn1c2ncn(CCCCCC[NH+]3CCN(CCCCSc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000027729044 561881155 /nfs/dbraw/zinc/88/11/55/561881155.db2.gz NNYCGWURAHRPNA-UHFFFAOYSA-N 1 0 512.724 3.184 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000027734012 561881595 /nfs/dbraw/zinc/88/15/95/561881595.db2.gz UCHJCPCIOFYUCC-BLFUYLKOSA-N 1 0 546.708 3.126 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])[C@@H](O)C/C=C/[C@H](O)[C@@H](Cc1ccccc1)C(=O)O[C@@H](Cc1ccccc1)C(N)=O ZINC000027738708 561882128 /nfs/dbraw/zinc/88/21/28/561882128.db2.gz DCJFBZIBSWVDCC-ZJQIPYTLSA-N 1 0 560.691 3.046 1 0 KGAFRO COC(=O)Cn1c(CN2CCN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2=O)cc2c[nH+]ccc21 ZINC000027738940 561882302 /nfs/dbraw/zinc/88/23/02/561882302.db2.gz QTWOUIZTPSVGGJ-UHFFFAOYSA-N 1 0 533.031 3.111 1 0 KGAFRO C[C@@H](NC(=O)CCN1CCOCC1)C(=O)N1CCC[N@H+](CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027739678 561882308 /nfs/dbraw/zinc/88/23/08/561882308.db2.gz ITKGTSPABAPZEV-XMMPIXPASA-N 1 0 614.763 3.139 1 0 KGAFRO COCc1onc(-c2cccc(C(N)=[NH2+])c2)c1C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000027756257 561883660 /nfs/dbraw/zinc/88/36/60/561883660.db2.gz GLMPXCWPQNWBLX-UHFFFAOYSA-N 1 0 505.556 3.339 1 0 KGAFRO COc1cc2c(c(C(C)C)c1)C(=O)N(COC(=O)c1c(Cl)ccc(S(=O)(=O)N(C)CC[NH+](C)C)c1Cl)S2(=O)=O ZINC000027763565 561884330 /nfs/dbraw/zinc/88/43/30/561884330.db2.gz DKGGYBQSOCROOV-UHFFFAOYSA-N 1 0 622.549 3.267 1 0 KGAFRO COc1ccccc1-c1cccc(C[C@H]([NH2+]C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)C(N)=O)c1 ZINC000027848825 561885878 /nfs/dbraw/zinc/88/58/78/561885878.db2.gz NHXBRMTYDNOYDY-SUGCFTRWSA-N 1 0 637.781 3.286 1 0 KGAFRO COc1ccccc1-c1ccc(C[C@H]([NH2+]C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)C(N)=O)cc1 ZINC000027848833 561885828 /nfs/dbraw/zinc/88/58/28/561885828.db2.gz KNBUMBGSBPCJDJ-SUGCFTRWSA-N 1 0 637.781 3.286 1 0 KGAFRO CCOC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+] ZINC000027849741 561885984 /nfs/dbraw/zinc/88/59/84/561885984.db2.gz ZQYHBNRTJLLJDT-FTJBHMTQSA-N 1 0 514.626 3.376 1 0 KGAFRO CCOC(=O)[C@H](Cc1cccc2ccccc21)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+] ZINC000027850383 561885975 /nfs/dbraw/zinc/88/59/75/561885975.db2.gz UBDVIXYCJLMHRA-FTJBHMTQSA-N 1 0 514.626 3.376 1 0 KGAFRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000027860493 561886985 /nfs/dbraw/zinc/88/69/85/561886985.db2.gz BWCPEJTYOIDPGP-FQLXRVMXSA-N 1 0 590.168 3.371 1 0 KGAFRO C[NH+](C)Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000027860502 561886968 /nfs/dbraw/zinc/88/69/68/561886968.db2.gz VJWZUOKQCXSJRH-FQLXRVMXSA-N 1 0 560.142 3.492 1 0 KGAFRO COCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)C1=O ZINC000027872593 561888393 /nfs/dbraw/zinc/88/83/93/561888393.db2.gz GQZKUHJUDVPPDA-NDEPHWFRSA-N 1 0 567.712 3.417 1 0 KGAFRO [NH3+]CCC[n+]1ccc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)cc1 ZINC000027887609 561889574 /nfs/dbraw/zinc/88/95/74/561889574.db2.gz CIKCRDDEHOMKBX-NFBKMPQASA-O 1 0 600.595 3.253 1 0 KGAFRO NC(=[NH2+])c1cccc(C[C@@H](NC(=O)[C@@H]2CC[C@H]3CN(C(=O)CCc4ccccc4)CC(=O)N32)C(=O)c2nc3ccccc3s2)c1 ZINC000027896766 561890270 /nfs/dbraw/zinc/89/02/70/561890270.db2.gz GOBFKUOZUDEDMD-OIKPOIBNSA-N 1 0 622.751 3.325 1 0 KGAFRO NC(=[NH2+])c1cccc(C[C@H](NC(=O)[C@@H]2CC[C@H]3CN(C(=O)CCc4ccccc4)CC(=O)N32)C(=O)c2nc3ccccc3s2)c1 ZINC000027896772 561890404 /nfs/dbraw/zinc/89/04/04/561890404.db2.gz GOBFKUOZUDEDMD-URORMMCBSA-N 1 0 622.751 3.325 1 0 KGAFRO NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)N1CCC(c2ccccc2)CC1 ZINC000027980092 561891617 /nfs/dbraw/zinc/89/16/17/561891617.db2.gz PURSXEVTAUPBFJ-XMMPIXPASA-N 1 0 507.660 3.156 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)N1CCC(c2ccccc2)CC1 ZINC000027980097 561891618 /nfs/dbraw/zinc/89/16/18/561891618.db2.gz PURSXEVTAUPBFJ-DEOSSOPVSA-N 1 0 507.660 3.156 1 0 KGAFRO C[NH+]1CCN(CCNC(=O)CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 ZINC000027988583 561892679 /nfs/dbraw/zinc/89/26/79/561892679.db2.gz SSGSQDWMTRVGLY-XMMPIXPASA-N 1 0 566.574 3.418 1 0 KGAFRO C[NH+]1CCN(CCNC(=O)CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N2CCC3(CCCC3)CC2)CC1 ZINC000027988591 561892661 /nfs/dbraw/zinc/89/26/61/561892661.db2.gz SSGSQDWMTRVGLY-DEOSSOPVSA-N 1 0 566.574 3.418 1 0 KGAFRO COc1ccc(CC[N@H+](C)CCOc2ccc(NS(C)(=O)=O)cc2I)cc1OC ZINC000027994901 561893682 /nfs/dbraw/zinc/89/36/82/561893682.db2.gz ICLUSGGLIKEWDL-UHFFFAOYSA-N 1 0 534.416 3.233 1 0 KGAFRO CCOCC(=O)N1CCC([NH+]2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 ZINC000028002356 561894959 /nfs/dbraw/zinc/89/49/59/561894959.db2.gz RALSSEKCMJNMAN-UHFFFAOYSA-N 1 0 530.643 3.119 1 0 KGAFRO COc1cc2cccnc2c(N[C@@H](C)CCC[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000028002569 561894969 /nfs/dbraw/zinc/89/49/69/561894969.db2.gz VAVHMTIFAZUYKL-IMBWNBOCSA-N 1 0 572.751 3.031 1 0 KGAFRO COc1cc2cccnc2c(N[C@H](C)CCC[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000028002574 561894963 /nfs/dbraw/zinc/89/49/63/561894963.db2.gz VAVHMTIFAZUYKL-QADMTWKBSA-N 1 0 572.751 3.031 1 0 KGAFRO C[C@H]([NH3+])C(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000028005161 561895388 /nfs/dbraw/zinc/89/53/88/561895388.db2.gz LMUBVYBHYAXIBH-UZTOHYMASA-N 1 0 510.082 3.043 1 0 KGAFRO C[C@H]([NH3+])C(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1 ZINC000028005166 561895314 /nfs/dbraw/zinc/89/53/14/561895314.db2.gz LMUBVYBHYAXIBH-PPHZAIPVSA-N 1 0 510.082 3.043 1 0 KGAFRO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccc3ccccc3n1)N(C)[C@@H]2c1ccc2ccccc2n1 ZINC000028105782 561902205 /nfs/dbraw/zinc/90/22/05/561902205.db2.gz UHYKARPTRKJNJF-OSCFFGAZSA-N 1 0 538.604 3.344 1 0 KGAFRO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@@H](c1ccnc3ccccc31)N(C)[C@@H]2c1ccnc2ccccc21 ZINC000028106680 561902533 /nfs/dbraw/zinc/90/25/33/561902533.db2.gz UIHCXYXGFGNYNJ-OSCFFGAZSA-N 1 0 538.604 3.344 1 0 KGAFRO COc1cccc(-n2c(=O)n(Cc3c(Cl)cccc3Cl)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000028112858 561903276 /nfs/dbraw/zinc/90/32/76/561903276.db2.gz PLVINTUOSAHYSC-IBGZPJMESA-N 1 0 531.371 3.364 1 0 KGAFRO COc1cccc(-n2c(=O)n(CC[C@@H]([NH3+])c3ccccc3Cl)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028112919 561903427 /nfs/dbraw/zinc/90/34/27/561903427.db2.gz XQZJMVTZEMKIHB-HSZRJFAPSA-N 1 0 528.943 3.240 1 0 KGAFRO COc1cccc(-n2c(=O)n(CC[C@H]([NH3+])c3ccccc3Cl)c(=O)n(Cc3c(F)cccc3F)c2=O)c1 ZINC000028112925 561903408 /nfs/dbraw/zinc/90/34/08/561903408.db2.gz XQZJMVTZEMKIHB-QHCPKHFHSA-N 1 0 528.943 3.240 1 0 KGAFRO COc1cccc(-n2c(=O)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000028114101 561903493 /nfs/dbraw/zinc/90/34/93/561903493.db2.gz AVTHMVNRODCACK-IBGZPJMESA-N 1 0 548.468 3.215 1 0 KGAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)C1c2ccccc2-c2ccccc21)C(=O)c1nc2ccccc2s1 ZINC000028114832 561903666 /nfs/dbraw/zinc/90/36/66/561903666.db2.gz RQVVJGCQLROSFF-AHPZMPFVSA-N 1 0 610.740 3.391 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)C1c2ccccc2-c2ccccc21)C(=O)c1nc2ccccc2s1 ZINC000028114840 561903635 /nfs/dbraw/zinc/90/36/35/561903635.db2.gz RQVVJGCQLROSFF-QEMZJVQQSA-N 1 0 610.740 3.391 1 0 KGAFRO CC(=O)N1CCc2c(c(-c3ccc(I)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028128008 561905311 /nfs/dbraw/zinc/90/53/11/561905311.db2.gz YJFZKXTYNORCSU-QHCPKHFHSA-N 1 0 640.526 3.400 1 0 KGAFRO CC(=O)N1CCc2c(c(-c3ccc(I)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028128014 561905315 /nfs/dbraw/zinc/90/53/15/561905315.db2.gz YJFZKXTYNORCSU-HSZRJFAPSA-N 1 0 640.526 3.400 1 0 KGAFRO CCCN(CCCNS(=O)(=O)N1CCC(c2cc(-c3cccc(Cl)c3Cl)nn2C)CC1)C(N)=[NH2+] ZINC000028128672 561905380 /nfs/dbraw/zinc/90/53/80/561905380.db2.gz BYASVLICYMSNGO-UHFFFAOYSA-N 1 0 530.526 3.403 1 0 KGAFRO CC(C)N(CCCNS(=O)(=O)N1CCC(c2cc(-c3cccc(Cl)c3Cl)nn2C)CC1)C(N)=[NH2+] ZINC000028132692 561906040 /nfs/dbraw/zinc/90/60/40/561906040.db2.gz OMSBZMRSWCTKJX-UHFFFAOYSA-N 1 0 530.526 3.402 1 0 KGAFRO CC(C)OC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)O[C@H]1c1cccc(C(N)=[NH2+])c1 ZINC000028220439 561907248 /nfs/dbraw/zinc/90/72/48/561907248.db2.gz MPIZHZHLXIHDRD-NOZRDPDXSA-N 1 0 522.627 3.341 1 0 KGAFRO CC(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)[NH3+] ZINC000028222608 561907521 /nfs/dbraw/zinc/90/75/21/561907521.db2.gz VGGXXSMWIWPDKM-CLJLJLNGSA-N 1 0 530.673 3.261 1 0 KGAFRO CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1ccccc1 ZINC000028223587 561907678 /nfs/dbraw/zinc/90/76/78/561907678.db2.gz KPJXUJAKTAQSNR-FQLXRVMXSA-N 1 0 564.690 3.458 1 0 KGAFRO CC[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000028227859 561908419 /nfs/dbraw/zinc/90/84/19/561908419.db2.gz WQYLWNQAMGCVOP-IWHWMRIYSA-N 1 0 527.731 3.228 1 0 KGAFRO Cn1cc(NC(=O)c2cc(NC(=O)CCCCOc3ccc4ccc(=O)oc4c3)cn2C)cc1C(=O)NCC[NH+](C)C ZINC000028228505 561908628 /nfs/dbraw/zinc/90/86/28/561908628.db2.gz PKYWMIIYXFKNGZ-UHFFFAOYSA-N 1 0 576.654 3.202 1 0 KGAFRO C[NH+](C)CCCN[C@@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000028228547 561908639 /nfs/dbraw/zinc/90/86/39/561908639.db2.gz ZHPPDUIKQXCRCG-QROPHJSOSA-N 1 0 584.827 3.160 1 0 KGAFRO Cc1cc(C(=O)Nc2ccc(N3CC[NH2+]CCC3=O)cc2F)n(-c2cc3ccccc3cc2S(C)(=O)=O)n1 ZINC000028233257 561909336 /nfs/dbraw/zinc/90/93/36/561909336.db2.gz XKWFITBTBHJPRG-UHFFFAOYSA-N 1 0 535.601 3.455 1 0 KGAFRO CC(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCCN4CC[NH+](C)CC4)n(C)c3)n(CCC(C)C)c2)n(C)c1 ZINC000028239612 561910226 /nfs/dbraw/zinc/91/02/26/561910226.db2.gz NAEPVSQVKFZCPL-UHFFFAOYSA-N 1 0 621.787 3.042 1 0 KGAFRO CCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)c1=O ZINC000028254445 561911261 /nfs/dbraw/zinc/91/12/61/561911261.db2.gz YDTUSTDADUHRPH-MHZLTWQESA-N 1 0 565.700 3.071 1 0 KGAFRO CC(C)([NH3+])CC(=O)N[C@@H]1C[C@@H](O)c2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000028261391 561912255 /nfs/dbraw/zinc/91/22/55/561912255.db2.gz GLUBWGLSMAVPJR-ILBGXUMGSA-N 1 0 525.613 3.116 1 0 KGAFRO CC(C)([NH3+])CC(=O)N[C@@H]1C[C@H](O)c2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000028261397 561912201 /nfs/dbraw/zinc/91/22/01/561912201.db2.gz GLUBWGLSMAVPJR-NOZRDPDXSA-N 1 0 525.613 3.116 1 0 KGAFRO CC1=N[C@@H](NC(=O)CC(C)(C)[NH3+])C(=O)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc21 ZINC000028261404 561912238 /nfs/dbraw/zinc/91/22/38/561912238.db2.gz HZQYXKGJVLWXMY-MHZLTWQESA-N 1 0 522.613 3.459 1 0 KGAFRO CC1=N[C@H](NC(=O)CC(C)(C)[NH3+])C(=O)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccccc21 ZINC000028261410 561912264 /nfs/dbraw/zinc/91/22/64/561912264.db2.gz HZQYXKGJVLWXMY-HHHXNRCGSA-N 1 0 522.613 3.459 1 0 KGAFRO C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=[NH2+])N(C)C)n(C)c4)n(C)c3)n(C)c2)n(C)c1 ZINC000028261458 561912244 /nfs/dbraw/zinc/91/22/44/561912244.db2.gz OFOFYCHTHDMAED-UHFFFAOYSA-N 1 0 736.632 3.303 1 0 KGAFRO CC(C)([NH3+])CC(=O)N[C@@H]1COc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000028261560 561912225 /nfs/dbraw/zinc/91/22/25/561912225.db2.gz PJFIRCYASUNIFO-JOCHJYFZSA-N 1 0 511.586 3.072 1 0 KGAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CC(=O)c2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000028261566 561912178 /nfs/dbraw/zinc/91/21/78/561912178.db2.gz JGGMBBBUQFKBOB-HSZRJFAPSA-N 1 0 523.597 3.266 1 0 KGAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H]([C@@H]([NH3+])C[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)OCCCNC1=O ZINC000028261932 561912328 /nfs/dbraw/zinc/91/23/28/561912328.db2.gz YHDUTAZHCZODDF-ZBHNMXDSSA-N 1 0 610.796 3.489 1 0 KGAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H]([C@H]([NH3+])C[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)OCCCNC1=O ZINC000028261943 561912347 /nfs/dbraw/zinc/91/23/47/561912347.db2.gz YHDUTAZHCZODDF-UMMHXVJRSA-N 1 0 610.796 3.489 1 0 KGAFRO CC(C)[NH+](CCNC(=O)[C@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)N(C)C)C(C)C ZINC000028332712 561912918 /nfs/dbraw/zinc/91/29/18/561912918.db2.gz HEXYYUCZTBGJCE-AREMUKBSSA-N 1 0 544.718 3.411 1 0 KGAFRO CC(C)[NH+](CCNC(=O)[C@@H]1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)N(C)C)C(C)C ZINC000028332719 561912941 /nfs/dbraw/zinc/91/29/41/561912941.db2.gz HEXYYUCZTBGJCE-SANMLTNESA-N 1 0 544.718 3.411 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028339842 561913843 /nfs/dbraw/zinc/91/38/43/561913843.db2.gz BKOASLQLTJLPLS-QFIPXVFZSA-N 1 0 618.682 3.228 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028339851 561913869 /nfs/dbraw/zinc/91/38/69/561913869.db2.gz BKOASLQLTJLPLS-JOCHJYFZSA-N 1 0 618.682 3.228 1 0 KGAFRO CCCC1CCN(S(=O)(=O)CCC[NH+]2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1 ZINC000028340118 561913827 /nfs/dbraw/zinc/91/38/27/561913827.db2.gz PUTJZJHDHDITBW-UHFFFAOYSA-N 1 0 507.697 3.132 1 0 KGAFRO CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2C[C@@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028340969 561914030 /nfs/dbraw/zinc/91/40/30/561914030.db2.gz SCWHFQRBBAOZEQ-QHCPKHFHSA-N 1 0 549.075 3.449 1 0 KGAFRO CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2C[C@H](O)C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 ZINC000028340976 561914025 /nfs/dbraw/zinc/91/40/25/561914025.db2.gz SCWHFQRBBAOZEQ-HSZRJFAPSA-N 1 0 549.075 3.449 1 0 KGAFRO O=C(NCC1CC[NH+](CCCS(=O)(=O)N2CCC3(CCCC3)CC2)CC1)c1cccc2c1OCCO2 ZINC000028344286 561914602 /nfs/dbraw/zinc/91/46/02/561914602.db2.gz LGNCCZBHJPSZTR-UHFFFAOYSA-N 1 0 519.708 3.276 1 0 KGAFRO C[C@@H]([NH2+]CCN1CCOCC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028345841 561914900 /nfs/dbraw/zinc/91/49/00/561914900.db2.gz DKMUIQJKELMNOP-WTWHSOPRSA-N 1 0 659.275 3.413 1 0 KGAFRO C[C@H]([NH2+]CCN1CCOCC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028345848 561914872 /nfs/dbraw/zinc/91/48/72/561914872.db2.gz DKMUIQJKELMNOP-HOMOBGQPSA-N 1 0 659.275 3.413 1 0 KGAFRO CC[N@@H+]1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 ZINC000028348069 561915156 /nfs/dbraw/zinc/91/51/56/561915156.db2.gz MATWBKBLAHOJSM-SXOMAYOGSA-N 1 0 571.782 3.251 1 0 KGAFRO CCOC(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)C1=CS(=O)(=O)c2ccc(C(N)=[NH2+])cc21 ZINC000028352210 561915684 /nfs/dbraw/zinc/91/56/84/561915684.db2.gz IJAUZAZYLHIGKV-UNWVZKJWSA-N 1 0 509.628 3.196 1 0 KGAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CC=C[C@@H]1C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028356809 561916217 /nfs/dbraw/zinc/91/62/17/561916217.db2.gz KAKQLFHTJRDQDJ-ULOHSEQHSA-N 1 0 582.786 3.452 1 0 KGAFRO CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCCC[n+]4cccc(C(C)=O)c4)ccc3nc2-1 ZINC000028359820 561916633 /nfs/dbraw/zinc/91/66/33/561916633.db2.gz SRUITXWUBYCUEV-PMERELPUSA-N 1 0 526.569 3.039 1 0 KGAFRO CCOC(=O)[C@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H]([NH2+]C)C(C)(C)c1ccccc1)C(C)(C)C ZINC000028363729 561917172 /nfs/dbraw/zinc/91/71/72/561917172.db2.gz UWGZPMYFQCBWNN-ZFFYZDHPSA-N 1 0 558.764 3.120 1 0 KGAFRO COc1cc2c(cc1OCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccccn2)CC1 ZINC000028365684 561917571 /nfs/dbraw/zinc/91/75/71/561917571.db2.gz JXXLJDZKYNEXDA-UHFFFAOYSA-N 1 0 521.691 3.095 1 0 KGAFRO CCCCN1C(=O)N(Cc2cccc(C(=[NH2+])NO)c2)[C@H](Cc2ccccc2)[C@H](O)CN1S(=O)(=O)c1cccc(O)c1 ZINC000028367926 561917838 /nfs/dbraw/zinc/91/78/38/561917838.db2.gz CQJJNPFCHLLUSV-KAYWLYCHSA-N 1 0 581.695 3.312 1 0 KGAFRO CO[C@@H]1C[C@@H](C(=O)NCC[NH+](C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 ZINC000028370213 561918168 /nfs/dbraw/zinc/91/81/68/561918168.db2.gz FCHGZKUNZPQIBE-OFNKIYASSA-N 1 0 562.136 3.361 1 0 KGAFRO C[C@@H](N[C@H]1CC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028372968 561918570 /nfs/dbraw/zinc/91/85/70/561918570.db2.gz YUWKIIAXKBDHDF-XKVUGKNPSA-N 1 0 615.222 3.443 1 0 KGAFRO C[C@H](N[C@H]1CC[NH2+]C1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000028372976 561918581 /nfs/dbraw/zinc/91/85/81/561918581.db2.gz YUWKIIAXKBDHDF-ZXNUCTKFSA-N 1 0 615.222 3.443 1 0 KGAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccncc2)CC1 ZINC000028374935 561919075 /nfs/dbraw/zinc/91/90/75/561919075.db2.gz AZWMTFYZTWXQRL-UHFFFAOYSA-N 1 0 535.718 3.485 1 0 KGAFRO Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1ccnc(OC2CC[NH+](C)CC2)n1 ZINC000028375814 561919212 /nfs/dbraw/zinc/91/92/12/561919212.db2.gz IYXXHXAZYORMBJ-UHFFFAOYSA-N 1 0 503.607 3.486 1 0 KGAFRO Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1cc(N2CCC[N@@H+](C)CC2)ncn1 ZINC000028378915 561919734 /nfs/dbraw/zinc/91/97/34/561919734.db2.gz PMESOEAIFXXPLV-UHFFFAOYSA-N 1 0 502.623 3.154 1 0 KGAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+]([C@@H]2CCCC[C@@H]2Cn2cncn2)CC1)[C@@H]1Cc2ccccc2CN1 ZINC000028379668 561919777 /nfs/dbraw/zinc/91/97/77/561919777.db2.gz IGHTWKPRGHQWSS-RRFVUZEHSA-N 1 0 590.172 3.077 1 0 KGAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+]([C@@H]2CCCC[C@@H]2Cn2cncn2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000028379677 561919791 /nfs/dbraw/zinc/91/97/91/561919791.db2.gz IGHTWKPRGHQWSS-PYYPWFDZSA-N 1 0 590.172 3.077 1 0 KGAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(Cn3cncn3)CCCCC2)CC1)[C@@H]1Cc2ccccc2CN1 ZINC000028379705 561919747 /nfs/dbraw/zinc/91/97/47/561919747.db2.gz UADIYHHRKSUFNM-URLMMPGGSA-N 1 0 590.172 3.221 1 0 KGAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+](C2(Cn3cncn3)CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000028379714 561919961 /nfs/dbraw/zinc/91/99/61/561919961.db2.gz UADIYHHRKSUFNM-FQLXRVMXSA-N 1 0 590.172 3.221 1 0 KGAFRO COc1cc2c(cc1OCC[NH+]1CCCC1)ncnc2N1CCN(C(=S)NCc2ccc3c(c2)OCO3)CC1 ZINC000028383025 561920521 /nfs/dbraw/zinc/92/05/21/561920521.db2.gz YRPZHVXTMXWGGW-UHFFFAOYSA-N 1 0 550.685 3.038 1 0 KGAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2cnc(C)cn2)CC1 ZINC000028383982 561920630 /nfs/dbraw/zinc/92/06/30/561920630.db2.gz MBMKNEGOAUNGDW-UHFFFAOYSA-N 1 0 550.733 3.188 1 0 KGAFRO COc1cc2c(cc1OCCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2cccnc2)CC1 ZINC000028384212 561920687 /nfs/dbraw/zinc/92/06/87/561920687.db2.gz KTICIQUAKHPVLB-UHFFFAOYSA-N 1 0 535.718 3.485 1 0 KGAFRO COc1cc2c(cc1OCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2ccncc2)CC1 ZINC000028385338 561920921 /nfs/dbraw/zinc/92/09/21/561920921.db2.gz VQZAQWGYQWKWRQ-UHFFFAOYSA-N 1 0 521.691 3.095 1 0 KGAFRO C[NH+](C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5[nH]c(=O)c(=O)[nH]c5c4)c3)o2)C(N)=O)cc1 ZINC000028386457 561921229 /nfs/dbraw/zinc/92/12/29/561921229.db2.gz UBRNXTSDXNMBLB-MUUNZHRXSA-N 1 0 624.654 3.016 1 0 KGAFRO C[NH+](C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5[nH]c(=O)c(=O)[nH]c5c4)c3)o2)C(N)=O)cc1 ZINC000028386463 561921234 /nfs/dbraw/zinc/92/12/34/561921234.db2.gz UBRNXTSDXNMBLB-NDEPHWFRSA-N 1 0 624.654 3.016 1 0 KGAFRO Cc1c(-c2csc(N3CCOCC3)n2)c(=O)n(C[C@H]([NH3+])c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028389827 561921882 /nfs/dbraw/zinc/92/18/82/561921882.db2.gz RIAQKEQOLFAILW-QFIPXVFZSA-N 1 0 539.608 3.305 1 0 KGAFRO COc1cc2c(cc1OCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)Nc2nccs2)CC1 ZINC000028389963 561922099 /nfs/dbraw/zinc/92/20/99/561922099.db2.gz LGRCNNMPZYSUPO-UHFFFAOYSA-N 1 0 513.693 3.479 1 0 KGAFRO Cc1c(Cl)nc(N2CCC(n3cnc4ccccc43)CC2)c(=O)n1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000028391263 561922260 /nfs/dbraw/zinc/92/22/60/561922260.db2.gz YHIGIZVEFZKTDE-UHFFFAOYSA-N 1 0 506.010 3.494 1 0 KGAFRO CS(=O)(=O)c1ccc(CN2CCC[N@H+](CC[C@@](O)(c3ccccc3)c3cccc(CO)c3)CC2)cc1 ZINC000028391845 561922366 /nfs/dbraw/zinc/92/23/66/561922366.db2.gz GEPFBLJYMJOADE-GDLZYMKVSA-N 1 0 508.684 3.416 1 0 KGAFRO COc1cc2c(cc1OCC[NH+]1CCCCC1)ncnc2N1CCN(C(=S)NCc2cccnc2)CC1 ZINC000028392228 561922505 /nfs/dbraw/zinc/92/25/05/561922505.db2.gz XOMXLJWSXFOKGB-UHFFFAOYSA-N 1 0 521.691 3.095 1 0 KGAFRO CS(=O)(=O)c1cccc2c(CC[NH2+]C[C@H](O)c3cccc(NS(=O)(=O)c4cccc(F)c4)c3)c[nH]c21 ZINC000028393554 561922797 /nfs/dbraw/zinc/92/27/97/561922797.db2.gz UBVQLYCPJXTQSE-QHCPKHFHSA-N 1 0 531.631 3.377 1 0 KGAFRO NC(=[NH2+])c1cccc(-n2nc(Cn3cncn3)cc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000028398263 581100974 /nfs/dbraw/zinc/10/09/74/581100974.db2.gz QMMXCSQBTSXHMF-UHFFFAOYSA-N 1 0 502.542 3.387 1 0 KGAFRO Cn1cc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cc2)cc1C(=O)NCCN1CC[NH+](CCO)CC1 ZINC000028455431 561923576 /nfs/dbraw/zinc/92/35/76/561923576.db2.gz FGCRRNZHRJUBBS-UHFFFAOYSA-N 1 0 691.793 3.008 1 0 KGAFRO COc1ccccc1N1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(I)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000028455931 561923715 /nfs/dbraw/zinc/92/37/15/561923715.db2.gz UOANLNCCXWZSES-HSZRJFAPSA-N 1 0 615.516 3.251 1 0 KGAFRO COc1ccccc1N1CC[NH+](C[C@H](O)Cn2nc(-c3ccc(I)cc3)c3c2CCN(C(C)=O)C3)CC1 ZINC000028455934 561923690 /nfs/dbraw/zinc/92/36/90/561923690.db2.gz UOANLNCCXWZSES-QHCPKHFHSA-N 1 0 615.516 3.251 1 0 KGAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCOCC1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028456820 561923941 /nfs/dbraw/zinc/92/39/41/561923941.db2.gz CPIVWYXQHLMZSJ-FJYXNKMESA-N 1 0 542.765 3.371 1 0 KGAFRO Cc1ccccc1N1CC[NH+](C[C@@H](O)Cn2nc(-c3ccc(I)cc3)c3c2CCN(C(N)=O)C3)CC1 ZINC000028457028 561924162 /nfs/dbraw/zinc/92/41/62/561924162.db2.gz WNGWMWWYOSHKHO-JOCHJYFZSA-N 1 0 600.505 3.083 1 0 KGAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCN(C)CC1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028457391 561924204 /nfs/dbraw/zinc/92/42/04/561924204.db2.gz UZFFOUXHLLIHAK-ASDIUBQGSA-N 1 0 555.808 3.286 1 0 KGAFRO COCC[NH+](CCNC(=O)c1nc(NC(=O)c2ccc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)cc2)cn1C)CCOC ZINC000028458736 561924488 /nfs/dbraw/zinc/92/44/88/561924488.db2.gz CKKBSSIIAACFGG-UHFFFAOYSA-N 1 0 695.781 3.388 1 0 KGAFRO C[NH2+][C@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C ZINC000028458788 581095612 /nfs/dbraw/zinc/09/56/12/581095612.db2.gz QKPXPZYQPBWDHS-OFWZXNGHSA-N 1 0 534.701 3.368 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCc2ccccc21)C(C)(C)C ZINC000028458791 581095592 /nfs/dbraw/zinc/09/55/92/581095592.db2.gz QKPXPZYQPBWDHS-UVCDWSHASA-N 1 0 534.701 3.368 1 0 KGAFRO C[NH2+][C@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCc2ccccc21)C(C)(C)C ZINC000028458794 581095585 /nfs/dbraw/zinc/09/55/85/581095585.db2.gz QKPXPZYQPBWDHS-FHLYGGGCSA-N 1 0 534.701 3.368 1 0 KGAFRO O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(C2=[NH+]CCN2)cc1 ZINC000028459013 561924677 /nfs/dbraw/zinc/92/46/77/561924677.db2.gz XYVOFUHXLRVWII-MUUNZHRXSA-N 1 0 567.671 3.455 1 0 KGAFRO CS(=O)(=O)c1cccc2c(CC[NH2+]C[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)c[nH]c21 ZINC000028459561 561924811 /nfs/dbraw/zinc/92/48/11/561924811.db2.gz SOATXVGPQNCJSR-QHCPKHFHSA-N 1 0 513.641 3.238 1 0 KGAFRO COc1cccc(S(=O)(=O)Nc2cccc([C@@H](O)C[NH2+]CCc3c[nH]c4c3cccc4S(C)(=O)=O)c2)c1 ZINC000028460277 561924917 /nfs/dbraw/zinc/92/49/17/561924917.db2.gz UUMFRFIBQGAIAY-DEOSSOPVSA-N 1 0 543.667 3.247 1 0 KGAFRO C[C@H](Cc1c[nH]c2c1cccc2S(C)(=O)=O)[NH2+]C[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 ZINC000028463470 561925748 /nfs/dbraw/zinc/92/57/48/561925748.db2.gz QVQLGSIODBNTES-OSPHWJPCSA-N 1 0 542.683 3.209 1 0 KGAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccco3)CCCCC2)CC1 ZINC000028463976 561925959 /nfs/dbraw/zinc/92/59/59/561925959.db2.gz LATBGKQTCDABGP-HSZRJFAPSA-N 1 0 578.541 3.240 1 0 KGAFRO CN(C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000028467231 561926259 /nfs/dbraw/zinc/92/62/59/561926259.db2.gz ICXBFICRTSSMNH-AZGAKELHSA-N 1 0 527.712 3.177 1 0 KGAFRO CN(C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000028472149 561927238 /nfs/dbraw/zinc/92/72/38/561927238.db2.gz YGDNZEQEQWCWEU-AHKZPQOWSA-N 1 0 525.646 3.113 1 0 KGAFRO COc1cccc(-c2cn(Cc3c(F)cccc3S(C)(=O)=O)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000028472464 561927253 /nfs/dbraw/zinc/92/72/53/561927253.db2.gz GRKSCYLPVRPFEA-QFIPXVFZSA-N 1 0 541.576 3.116 1 0 KGAFRO CN(C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1)[C@H](C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000028473375 561927370 /nfs/dbraw/zinc/92/73/70/561927370.db2.gz CGGYRECKAHVGKU-WUFINQPMSA-N 1 0 521.683 3.115 1 0 KGAFRO Cc1ccc(S(=O)(=O)NCc2ccc(CC(=O)N(C)[C@H](C[N@@H+]3CC[C@H](O)C3)c3ccccc3)cc2)cc1 ZINC000028473648 561927383 /nfs/dbraw/zinc/92/73/83/561927383.db2.gz DBMWKWBOQVTUTN-XTEPFMGCSA-N 1 0 521.683 3.282 1 0 KGAFRO CCOC(=O)CC[C@H](NC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(C(N)=[NH2+])cc1)C(=O)OCC ZINC000028475117 561927725 /nfs/dbraw/zinc/92/77/25/561927725.db2.gz MUJDZSIHCAAALW-SVBPBHIXSA-N 1 0 657.724 3.085 1 0 KGAFRO CCOC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(C(N)=[NH2+])cc1)C(=O)OCC ZINC000028475120 561927724 /nfs/dbraw/zinc/92/77/24/561927724.db2.gz MUJDZSIHCAAALW-SXOMAYOGSA-N 1 0 657.724 3.085 1 0 KGAFRO CCOC(=O)[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2Cc1ccc(C(N)=[NH2+])cc1 ZINC000028475306 561927898 /nfs/dbraw/zinc/92/78/98/561927898.db2.gz RWGJZNGCKHJECJ-JOCHJYFZSA-N 1 0 500.555 3.257 1 0 KGAFRO CC[C@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[NH2+]1 ZINC000028477935 561928723 /nfs/dbraw/zinc/92/87/23/561928723.db2.gz LGFWFMKFBFRTJC-VJGNERBWSA-N 1 0 571.782 3.297 1 0 KGAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[NH2+][C@@H](C3CC3)CN2)CC1 ZINC000028477942 561928727 /nfs/dbraw/zinc/92/87/27/561928727.db2.gz ILQVWGCJKKHEAK-FCEKVYKBSA-N 1 0 583.793 3.297 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)CCc1ccccc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028478286 561928809 /nfs/dbraw/zinc/92/88/09/561928809.db2.gz OUGAQGKWPVGZIP-NGDRWEMDSA-N 1 0 582.749 3.143 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccccc1Cl)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028520540 561928988 /nfs/dbraw/zinc/92/89/88/561928988.db2.gz PBHKXVJFSKYMRO-IGBKUBFESA-N 1 0 603.167 3.407 1 0 KGAFRO CCOC(=O)C[C@H](NC(=O)c1ccc2c(c1)O[C@H](OCc1ccc(C(N)=[NH2+])cc1)C(=O)N2C)c1ccccc1 ZINC000028520703 561929006 /nfs/dbraw/zinc/92/90/06/561929006.db2.gz OCZVFIOUSILBIJ-ZTOMLWHTSA-N 1 0 530.581 3.293 1 0 KGAFRO CCOC(=O)C[C@H](NC(=O)c1ccc2c(c1)O[C@@H](OCc1ccc(C(N)=[NH2+])cc1)C(=O)N2C)c1ccccc1 ZINC000028520705 561929040 /nfs/dbraw/zinc/92/90/40/561929040.db2.gz OCZVFIOUSILBIJ-PZGXJGMVSA-N 1 0 530.581 3.293 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1 ZINC000028520809 561929027 /nfs/dbraw/zinc/92/90/27/561929027.db2.gz ZGVLDIRBQNHSND-DUQIMVFOSA-N 1 0 621.786 3.277 1 0 KGAFRO [NH3+]Cc1ccc(Cl)cc1[C@@H](CO)NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-] ZINC000028521136 561929211 /nfs/dbraw/zinc/92/92/11/561929211.db2.gz FYLJTQNKAOOGHV-GOSISDBHSA-N 1 0 526.371 3.077 1 0 KGAFRO [NH3+]Cc1ccc(Cl)cc1[C@H](CO)NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-] ZINC000028521138 561929173 /nfs/dbraw/zinc/92/91/73/561929173.db2.gz FYLJTQNKAOOGHV-SFHVURJKSA-N 1 0 526.371 3.077 1 0 KGAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N(C)CCC[NH+](C)C)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028521270 561929316 /nfs/dbraw/zinc/92/93/16/561929316.db2.gz LLZSSAONGJRPMB-MUWNDDQRSA-N 1 0 542.585 3.134 1 0 KGAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N(C)CCC[NH+](C)C)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000028521272 561929283 /nfs/dbraw/zinc/92/92/83/561929283.db2.gz LLZSSAONGJRPMB-DLTDCEFJSA-N 1 0 542.585 3.134 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028521526 561929318 /nfs/dbraw/zinc/92/93/18/561929318.db2.gz KWNWKLGACZEGQC-JZRGNDHQSA-N 1 0 607.759 3.235 1 0 KGAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[NH2+][C@H](C3CC3)CN2)CC1 ZINC000028522123 561929446 /nfs/dbraw/zinc/92/94/46/561929446.db2.gz ILQVWGCJKKHEAK-PKTNWEFCSA-N 1 0 583.793 3.297 1 0 KGAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2nc(NCC[NH+]3CCCC3)oc2c1 ZINC000028522575 561929602 /nfs/dbraw/zinc/92/96/02/561929602.db2.gz WCTFVDBKGWDBED-DNGPENNUSA-N 1 0 685.844 3.442 1 0 KGAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2nc(N(C)CC[NH+]3CCCC3)oc2c1 ZINC000028522577 561929532 /nfs/dbraw/zinc/92/95/32/561929532.db2.gz BUUIVNCOZHFUJP-WVURNOBDSA-N 1 0 699.871 3.466 1 0 KGAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2C[NH2+]C3(CC3)CN2)CC1 ZINC000028522812 561929724 /nfs/dbraw/zinc/92/97/24/561929724.db2.gz QPLFLVZUYFLCGZ-FTJBHMTQSA-N 1 0 569.766 3.051 1 0 KGAFRO CC[C@@H]1CN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[NH2+]1 ZINC000028522966 561929678 /nfs/dbraw/zinc/92/96/78/561929678.db2.gz LGFWFMKFBFRTJC-PFBJBMPXSA-N 1 0 571.782 3.297 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N1CCN(Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028523037 561929873 /nfs/dbraw/zinc/92/98/73/561929873.db2.gz MWRCZRAFVXJXHL-LQJZCPKCSA-N 1 0 633.797 3.160 1 0 KGAFRO CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc2nc(NCC[NH+](C)C)sc2c1 ZINC000028523300 561930003 /nfs/dbraw/zinc/93/00/03/561930003.db2.gz BIPRNLSSLKASRT-JMLJTDODSA-N 1 0 675.874 3.376 1 0 KGAFRO Cc1nc(CN2CCN([C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(C(=[NH2+])NO)cc3)C(C)C)C2=O)cs1 ZINC000028523345 561929979 /nfs/dbraw/zinc/92/99/79/561929979.db2.gz OTCQJTJPPZIOEV-YPKYBTACSA-N 1 0 713.927 3.453 1 0 KGAFRO C[NH2+]CCNc1nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)cc2s1 ZINC000028523394 561929987 /nfs/dbraw/zinc/92/99/87/561929987.db2.gz JSSJWJPFDHRFMY-OPUPNEDUSA-N 1 0 661.847 3.034 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N1C[C@H](Cc2ccccc2)C[C@H]1C(=O)NCc1ccccc1 ZINC000028523396 561930150 /nfs/dbraw/zinc/93/01/50/561930150.db2.gz IARGQFSHIKWWJL-FGUUHEIUSA-N 1 0 603.167 3.407 1 0 KGAFRO C[N@@H+]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 ZINC000028528043 561932631 /nfs/dbraw/zinc/93/26/31/561932631.db2.gz UQDXUVBGZUJJRB-LOYHVIPDSA-N 1 0 572.153 3.419 1 0 KGAFRO [NH3+][C@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 ZINC000028528132 561932780 /nfs/dbraw/zinc/93/27/80/561932780.db2.gz QWNBVDNCFXIFBS-GNSPLJBXSA-N 1 0 572.153 3.247 1 0 KGAFRO O=C(CN1CCOCC1)n1nc(NC2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc21 ZINC000028530027 561934418 /nfs/dbraw/zinc/93/44/18/561934418.db2.gz SYFRNAVGZFKJNN-UHFFFAOYSA-N 1 0 512.010 3.467 1 0 KGAFRO CCOC(=O)Cn1c(CNC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)nc2ccccc21 ZINC000028530369 561934744 /nfs/dbraw/zinc/93/47/44/561934744.db2.gz PZVVDRYHHWKNGZ-WNJJXGMVSA-N 1 0 583.689 3.062 1 0 KGAFRO CC(C)(C)c1nc(N2CC[NH+](CCCCn3cc(C(F)(F)F)c(=O)[nH]c3=O)CC2)cc(C(F)(F)F)n1 ZINC000028567692 561936860 /nfs/dbraw/zinc/93/68/60/561936860.db2.gz BKNMXUNXXKWRNR-UHFFFAOYSA-N 1 0 522.494 3.264 1 0 KGAFRO COc1cc2c(cc1OCCC[N@@H+]1CCC[C@H]1CO)ncnc2Nc1ncc(CC(=O)Nc2ccccc2C(N)=O)s1 ZINC000028568043 561937137 /nfs/dbraw/zinc/93/71/37/561937137.db2.gz WCRZKNCQZBPXIT-SFHVURJKSA-N 1 0 591.694 3.344 1 0 KGAFRO Cc1ccc(C(=O)Cn2ncn(-c3ccc(C[N@@H+](C)C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)c(C)c1 ZINC000028572219 561939864 /nfs/dbraw/zinc/93/98/64/561939864.db2.gz MXFYYFMTTJTUHE-WJOKGBTCSA-N 1 0 587.631 3.423 1 0 KGAFRO Cc1ccc(C(=O)Cn2ncn(-c3ccc(C[N@@H+](C)C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)c(C)c1 ZINC000028572220 561939950 /nfs/dbraw/zinc/93/99/50/561939950.db2.gz MXFYYFMTTJTUHE-HKBQPEDESA-N 1 0 587.631 3.423 1 0 KGAFRO Cn1cnc(S(=O)(=O)N2CCCC[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH2+]C(C)(C)C)ccc32)c1 ZINC000028572236 561939882 /nfs/dbraw/zinc/93/98/82/561939882.db2.gz ASMAGMCDASTQOH-JTHBVZDNSA-N 1 0 501.697 3.435 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3c4ccc(Cl)cc4CNS3(=O)=O)CC2)C1 ZINC000028572316 561939917 /nfs/dbraw/zinc/93/99/17/561939917.db2.gz XLBFTGSAZVJCHG-DEOSSOPVSA-N 1 0 703.209 3.220 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(N3c4ccc(Cl)cc4CNS3(=O)=O)CC2)C1 ZINC000028572317 561939873 /nfs/dbraw/zinc/93/98/73/561939873.db2.gz XLBFTGSAZVJCHG-XMMPIXPASA-N 1 0 703.209 3.220 1 0 KGAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(Cl)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572557 561940194 /nfs/dbraw/zinc/94/01/94/561940194.db2.gz CWAIAKLZQMCLOR-GDLZYMKVSA-N 1 0 594.022 3.460 1 0 KGAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(Cl)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000028572558 561940145 /nfs/dbraw/zinc/94/01/45/561940145.db2.gz CWAIAKLZQMCLOR-LJAQVGFWSA-N 1 0 594.022 3.460 1 0 KGAFRO COc1ccc(Cn2nnc(C(=O)NCCCCC[NH+]3CCN(c4ccccc4OC)CC3)c2C)cc1 ZINC000028604066 561940618 /nfs/dbraw/zinc/94/06/18/561940618.db2.gz NLDBOKLMUAUKIM-UHFFFAOYSA-N 1 0 506.651 3.374 1 0 KGAFRO C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[NH2+]C2CC2)c1)c1ccc(F)cc1 ZINC000028604340 561940683 /nfs/dbraw/zinc/94/06/83/561940683.db2.gz XMAYUKKFZWBWNS-KEFSCGHKSA-N 1 0 582.698 3.142 1 0 KGAFRO Cc1nn(C)c(Cl)c1CN(Cc1c(C)nn(C)c1Cl)C[C@H]1CC[C@H]2CN(c3nc4nc(-c5ccco5)nn4c(N)n3)CC[N@@H+]2C1 ZINC000028636501 561941237 /nfs/dbraw/zinc/94/12/37/561941237.db2.gz CDSXPZHISTVUSW-UXHICEINSA-N 1 0 654.611 3.355 1 0 KGAFRO Nc1nc(N2CC[N@@H+]3C[C@@H](CN(Cc4ccco4)Cc4ccco4)CC[C@H]3C2)nc2nc(-c3ccco3)nn21 ZINC000028636920 561941474 /nfs/dbraw/zinc/94/14/74/561941474.db2.gz NRGHFOSJRREENZ-UXHICEINSA-N 1 0 529.605 3.151 1 0 KGAFRO COc1cc(/C=C/C(=O)OCCOCC[N@H+](C)CCOCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000028637240 561941567 /nfs/dbraw/zinc/94/15/67/561941567.db2.gz PJXLNUARVVRUFO-CMDGGOBGSA-N 1 0 621.680 3.117 1 0 KGAFRO O=C1C[C@@H]([NH+]2CCCCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 ZINC000028638943 561942410 /nfs/dbraw/zinc/94/24/10/561942410.db2.gz ASEHDKSOPQBKAO-ODRDEDCPSA-N 1 0 648.808 3.025 1 0 KGAFRO O=C1C[C@@H](N2CCC([NH+]3CCCCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 ZINC000028639231 561942537 /nfs/dbraw/zinc/94/25/37/561942537.db2.gz DVTHAZNTRBRTQH-QJMCPCMJSA-N 1 0 731.942 3.489 1 0 KGAFRO O=C1C[C@@H]([NH2+]C2CCSCC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 ZINC000028639236 561942577 /nfs/dbraw/zinc/94/25/77/561942577.db2.gz SELLXVGFPXUZPW-ODRDEDCPSA-N 1 0 680.875 3.024 1 0 KGAFRO COc1cc2c(N(C)C)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)nc2c(N2CC[NH+](C)CC2)c1 ZINC000028642707 561943599 /nfs/dbraw/zinc/94/35/99/561943599.db2.gz TVVMFPCZWFJVGN-UHFFFAOYSA-N 1 0 504.635 3.150 1 0 KGAFRO COc1cccc(N2CC[NH+](CCCCC(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)CC2)c1 ZINC000028646748 561945329 /nfs/dbraw/zinc/94/53/29/561945329.db2.gz UBMTYXGGCVWONI-UHFFFAOYSA-N 1 0 528.097 3.424 1 0 KGAFRO O=C(CN1CCN(C(=O)CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1)Nc1ccccc1Cl ZINC000028646853 561945428 /nfs/dbraw/zinc/94/54/28/561945428.db2.gz VPPAZWIJDJFUNJ-UHFFFAOYSA-N 1 0 512.098 3.411 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 ZINC000028652997 561946170 /nfs/dbraw/zinc/94/61/70/561946170.db2.gz LMEGGFGJWQFGIX-CPCREDONSA-N 1 0 712.852 3.101 1 0 KGAFRO Cc1cccc(C(C)C)c1C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000028654522 561946591 /nfs/dbraw/zinc/94/65/91/561946591.db2.gz PUIMPGYMFMJIOK-CUPIEXAXSA-N 1 0 655.840 3.242 1 0 in-vivo KGAFRO CC[NH+](CC)CCNC(=O)c1cc(I)c(NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000028702537 561947047 /nfs/dbraw/zinc/94/70/47/561947047.db2.gz YDYHXSBVPGUQKO-UHFFFAOYSA-N 1 0 545.443 3.481 1 0 KGAFRO CCCN(CCC)C(=O)c1cc(C(N)=O)cc(C(=O)N[C@@H](Cc2ccc(O)cc2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000028705238 561949051 /nfs/dbraw/zinc/94/90/51/561949051.db2.gz YULNCSBBJTUFOB-XZWHSSHBSA-N 1 0 590.721 3.254 1 0 KGAFRO C[NH2+]CC(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1 ZINC000028705696 561949159 /nfs/dbraw/zinc/94/91/59/561949159.db2.gz ODEKPPNWYDCOPE-OAQYLSRUSA-N 1 0 617.682 3.352 1 0 KGAFRO C[NH2+]CC(=O)N1CCN(n2c(=O)c3ccccc3nc2[C@H](C)N(C(=O)Nc2ccc(F)cc2)c2ccc(OC)cc2OC)CC1 ZINC000028705699 561949161 /nfs/dbraw/zinc/94/91/61/561949161.db2.gz ODEKPPNWYDCOPE-NRFANRHFSA-N 1 0 617.682 3.352 1 0 KGAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@H](C)[NH3+])CC2)c(OC)c1 ZINC000028705709 561949169 /nfs/dbraw/zinc/94/91/69/561949169.db2.gz LJFIXBGRRGJNAO-SFTDATJTSA-N 1 0 617.682 3.480 1 0 KGAFRO COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)[C@H](C)[NH3+])CC2)c(OC)c1 ZINC000028705712 561949153 /nfs/dbraw/zinc/94/91/53/561949153.db2.gz LJFIXBGRRGJNAO-LEWJYISDSA-N 1 0 617.682 3.480 1 0 KGAFRO CNC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000028705998 561949232 /nfs/dbraw/zinc/94/92/32/561949232.db2.gz HVVSWEOLFRVKBS-ILBGXUMGSA-N 1 0 504.675 3.025 1 0 KGAFRO CCNC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000028706000 561949237 /nfs/dbraw/zinc/94/92/37/561949237.db2.gz TYGYLFVJWDQRLJ-AOYPEHQESA-N 1 0 518.702 3.415 1 0 KGAFRO CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@@H](C(=O)NCCCCO)c3ccccc32)CC1 ZINC000028706011 561949257 /nfs/dbraw/zinc/94/92/57/561949257.db2.gz KXRQDVHALFIPTE-IXCJQBJRSA-N 1 0 562.755 3.168 1 0 KGAFRO CNC(=O)[C@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000028706033 561949347 /nfs/dbraw/zinc/94/93/47/561949347.db2.gz HVVSWEOLFRVKBS-UKILVPOCSA-N 1 0 504.675 3.025 1 0 KGAFRO CCNC(=O)[C@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)[NH3+])CC2)c2ccccc21 ZINC000028706036 561949341 /nfs/dbraw/zinc/94/93/41/561949341.db2.gz TYGYLFVJWDQRLJ-AZGAKELHSA-N 1 0 518.702 3.415 1 0 KGAFRO CC(C)([NH3+])C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@H](C(=O)NCCCCO)c3ccccc32)CC1 ZINC000028706045 561949394 /nfs/dbraw/zinc/94/93/94/561949394.db2.gz KXRQDVHALFIPTE-XTEPFMGCSA-N 1 0 562.755 3.168 1 0 KGAFRO CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H]([NH3+])CF)cc(N(C)C[C@H]2C[C@@H]2C)n1 ZINC000028706472 561949749 /nfs/dbraw/zinc/94/97/49/561949749.db2.gz SPKBGXFBJNXHQG-IHJXWSBQSA-N 1 0 555.667 3.264 1 0 KGAFRO CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H]([NH3+])CF)cc(N(C)C[C@@H]2C[C@@H]2C)n1 ZINC000028708832 561950547 /nfs/dbraw/zinc/95/05/47/561950547.db2.gz SPKBGXFBJNXHQG-CQOCVSQPSA-N 1 0 555.667 3.264 1 0 KGAFRO Nc1cccc(-c2c(Cl)nc(NC3CCC3)c(=O)n2CC(=O)NCc2ccc3c(c2)SCC[NH+]=C3N)c1 ZINC000028709914 561950842 /nfs/dbraw/zinc/95/08/42/561950842.db2.gz DAJGBJRYEALKQA-UHFFFAOYSA-N 1 0 538.077 3.238 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCN2CCOCC2)C(C)C)C(C)C)ccc1OC ZINC000028711776 561952309 /nfs/dbraw/zinc/95/23/09/561952309.db2.gz RFNPLSNMDRXZBX-LJWNLINESA-N 1 0 565.796 3.114 1 0 KGAFRO Cn1cc(NC(=O)c2cc(NC(=O)CCCN3C(=O)c4cccc5cccc(c54)C3=O)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000028711785 561952460 /nfs/dbraw/zinc/95/24/60/561952460.db2.gz ZZBTUJCACIMFCQ-UHFFFAOYSA-N 1 0 611.703 3.466 1 0 KGAFRO C[C@@H](Cc1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1 ZINC000028711793 561952440 /nfs/dbraw/zinc/95/24/40/561952440.db2.gz JALNJHGDXYTHLQ-QMHKHESXSA-N 1 0 511.556 3.360 1 0 KGAFRO C[C@H](Cc1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1 ZINC000028711794 561952424 /nfs/dbraw/zinc/95/24/24/561952424.db2.gz JALNJHGDXYTHLQ-WAIKUNEKSA-N 1 0 511.556 3.360 1 0 KGAFRO C[C@@H](Cc1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1)[NH2+]C[C@H](O)c1cc(O)cc(O)c1 ZINC000028711795 561952431 /nfs/dbraw/zinc/95/24/31/561952431.db2.gz JALNJHGDXYTHLQ-HJPURHCSSA-N 1 0 511.556 3.360 1 0 KGAFRO C[C@H](Cc1ccc(Oc2nonc2S(=O)(=O)c2ccccc2)cc1)[NH2+]C[C@H](O)c1cc(O)cc(O)c1 ZINC000028711796 561952428 /nfs/dbraw/zinc/95/24/28/561952428.db2.gz JALNJHGDXYTHLQ-MWTRTKDXSA-N 1 0 511.556 3.360 1 0 KGAFRO NC(=O)c1ccc(C(=O)NCCCN2CC[NH+](CCCNc3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000028714011 561954498 /nfs/dbraw/zinc/95/44/98/561954498.db2.gz GAVYYQZRZNTWFR-UHFFFAOYSA-N 1 0 509.054 3.227 1 0 KGAFRO Cc1ccccc1S(=O)(=O)N1CCC(N(Cc2ccc3ccc(C(N)=[NH2+])cc3c2)S(C)(=O)=O)CC1 ZINC000028714175 561954652 /nfs/dbraw/zinc/95/46/52/561954652.db2.gz IYAMJWISGGIZMU-UHFFFAOYSA-N 1 0 514.673 3.047 1 0 KGAFRO CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000028714176 561954590 /nfs/dbraw/zinc/95/45/90/561954590.db2.gz JWLBJPBVPIALFF-UHFFFAOYSA-N 1 0 535.091 3.392 1 0 KGAFRO Cc1cccc(S(=O)(=O)N2CCC(N(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)S(C)(=O)=O)CC2)c1 ZINC000028714177 561954654 /nfs/dbraw/zinc/95/46/54/561954654.db2.gz PDGLKAQGZQQCFD-UHFFFAOYSA-N 1 0 514.673 3.047 1 0 KGAFRO CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000028714178 561954596 /nfs/dbraw/zinc/95/45/96/561954596.db2.gz IUVVXDHDGANSAZ-UHFFFAOYSA-N 1 0 535.091 3.392 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCC(N(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)S(C)(=O)=O)CC2)cc1 ZINC000028714179 561954592 /nfs/dbraw/zinc/95/45/92/561954592.db2.gz LNKQNUGNTTXGKR-UHFFFAOYSA-N 1 0 514.673 3.047 1 0 KGAFRO CS(=O)(=O)N(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000028714180 561954650 /nfs/dbraw/zinc/95/46/50/561954650.db2.gz JBHKGXAJKBGAKP-UHFFFAOYSA-N 1 0 535.091 3.392 1 0 KGAFRO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(N(Cc2ccc3ccc(C(N)=[NH2+])cc3c2)S(C)(=O)=O)CC1 ZINC000028714204 561954835 /nfs/dbraw/zinc/95/48/35/561954835.db2.gz DNUNOPNQOVKCRF-UHFFFAOYSA-N 1 0 565.117 3.401 1 0 KGAFRO COc1ccc(C)cc1S(=O)(=O)N1CCC(N(Cc2ccc3ccc(C(N)=[NH2+])cc3c2)S(C)(=O)=O)CC1 ZINC000028714207 561954819 /nfs/dbraw/zinc/95/48/19/561954819.db2.gz VSFWKSUGVKCROG-UHFFFAOYSA-N 1 0 544.699 3.056 1 0 KGAFRO COc1ccc(OC)c(S(=O)(=O)N2CCC(N(Cc3ccc4ccc(C(N)=[NH2+])cc4c3)C(C)=O)CC2)c1 ZINC000028714212 561954840 /nfs/dbraw/zinc/95/48/40/561954840.db2.gz QWLVBZMTHXDFED-UHFFFAOYSA-N 1 0 524.643 3.343 1 0 KGAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3cccnc3-c3nn[nH]n3)cc2)C1=O ZINC000028755526 561955618 /nfs/dbraw/zinc/95/56/18/561955618.db2.gz SAKKNUFZKWSMCR-JOCHJYFZSA-N 1 0 510.602 3.020 1 0 KGAFRO COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)[C@@H](C(=O)NCCC[NH+]2CCC(c3ccccn3)CC2)C(=O)N1 ZINC000028760598 561957891 /nfs/dbraw/zinc/95/78/91/561957891.db2.gz RLZUJMCQGKSUPO-AHWVRZQESA-N 1 0 556.610 3.489 1 0 KGAFRO COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)[C@H](C(=O)NCCC[NH+]2CCC(c3ccccn3)CC2)C(=O)N1 ZINC000028760600 561957875 /nfs/dbraw/zinc/95/78/75/561957875.db2.gz RLZUJMCQGKSUPO-AZGAKELHSA-N 1 0 556.610 3.489 1 0 KGAFRO CCCn1c2[nH]c(-c3ccc(OCC(=O)NCC[N@H+](CC)Cc4ccc(O)cc4)cc3)nc2c(=O)n(CCC)c1=O ZINC000028763931 561958903 /nfs/dbraw/zinc/95/89/03/561958903.db2.gz POYSDKDOTHHYSW-UHFFFAOYSA-N 1 0 562.671 3.096 1 0 KGAFRO CCCn1c2[nH]c(-c3ccc(OCC(=O)NCCCCCCCC[NH3+])cc3)nc2c(=O)n(CCC)c1=O ZINC000028764030 561958893 /nfs/dbraw/zinc/95/88/93/561958893.db2.gz IFPRUJIUGZOANU-UHFFFAOYSA-N 1 0 512.655 3.168 1 0 KGAFRO CO[C@@H]1C[NH2+]CCN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)C1 ZINC000028817190 561964692 /nfs/dbraw/zinc/96/46/92/561964692.db2.gz UEGFAJFCHWZVEB-XMMPIXPASA-N 1 0 500.582 3.430 1 0 KGAFRO CO[C@H]1C[NH2+]CCN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)C1 ZINC000028817192 561964640 /nfs/dbraw/zinc/96/46/40/561964640.db2.gz UEGFAJFCHWZVEB-DEOSSOPVSA-N 1 0 500.582 3.430 1 0 KGAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)c1cccnc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817333 561964746 /nfs/dbraw/zinc/96/47/46/561964746.db2.gz LDWLEXMRPVCCOM-FRXPANAUSA-N 1 0 630.758 3.114 1 0 KGAFRO CCCCS(=O)(=O)C[C@@H](NC(=O)c1ccncc1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC000028817357 561964714 /nfs/dbraw/zinc/96/47/14/561964714.db2.gz KKYXFRKWFWFPDF-FRXPANAUSA-N 1 0 630.758 3.114 1 0 KGAFRO CN(C(=O)N1CC[C@H](n2cnc3cc(-c4ccc5c(c4)OCCO5)sc3c2=O)C1)[C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000028818571 561965352 /nfs/dbraw/zinc/96/53/52/561965352.db2.gz BEAGBDCOCNSBFF-VXKWHMMOSA-N 1 0 565.696 3.448 1 0 KGAFRO CC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)C(=O)Nc1ccccc1 ZINC000028821089 561966185 /nfs/dbraw/zinc/96/61/85/561966185.db2.gz FXKBVHZYGDBEDB-CPCREDONSA-N 1 0 613.759 3.262 1 0 KGAFRO CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2CCCNC(=O)[C@H](C[NH+]2CCCC2)NC1=O ZINC000028823468 561968230 /nfs/dbraw/zinc/96/82/30/561968230.db2.gz OFPZBHFQGCIGNM-IUAQSZDVSA-N 1 0 631.740 3.069 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(c3c[nH]c4cc[n+]([O-])cc43)CC2)C1 ZINC000028824443 561969749 /nfs/dbraw/zinc/96/97/49/561969749.db2.gz WVPCXYIDNYFRBJ-QFIPXVFZSA-N 1 0 618.682 3.242 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(c3c[nH]c4cc[n+]([O-])cc43)CC2)C1 ZINC000028824444 561969773 /nfs/dbraw/zinc/96/97/73/561969773.db2.gz WVPCXYIDNYFRBJ-JOCHJYFZSA-N 1 0 618.682 3.242 1 0 KGAFRO [NH3+]CCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1 ZINC000028825171 561970316 /nfs/dbraw/zinc/97/03/16/561970316.db2.gz JIIINXQERGVSIC-VWLOTQADSA-N 1 0 580.751 3.170 1 0 KGAFRO [NH3+]CCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(NC(=O)c2cc3ccccc3s2)Cc2ccccc2C1 ZINC000028825174 561970502 /nfs/dbraw/zinc/97/05/02/561970502.db2.gz GMWHYDAZOMZFAJ-NDEPHWFRSA-N 1 0 614.768 3.004 1 0 KGAFRO [NH3+]CCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21 ZINC000028825176 561970473 /nfs/dbraw/zinc/97/04/73/561970473.db2.gz OLKKHIHOJAUDLW-IPZQJPLYSA-N 1 0 614.768 3.308 1 0 KGAFRO [NH3+]CCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(NC(=O)c2cc3ccccc3s2)CCc2ccccc21 ZINC000028825178 561970466 /nfs/dbraw/zinc/97/04/66/561970466.db2.gz OLKKHIHOJAUDLW-GVYVVWIYSA-N 1 0 614.768 3.308 1 0 KGAFRO [NH3+]CCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1(NC(=O)c2cc3ccccc3s2)CCc2ccccc2C1 ZINC000028825180 561970499 /nfs/dbraw/zinc/97/04/99/561970499.db2.gz WQLGWARXJRJOIZ-WHMAPKLYSA-N 1 0 628.795 3.394 1 0 KGAFRO [NH3+]CCOCCOCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(NC(=O)c2cc3ccccc3s2)CCc2ccccc2C1 ZINC000028825182 561970468 /nfs/dbraw/zinc/97/04/68/561970468.db2.gz WQLGWARXJRJOIZ-YTWZBVJHSA-N 1 0 628.795 3.394 1 0 KGAFRO CCC(CC)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCC[NH3+] ZINC000028825183 561970492 /nfs/dbraw/zinc/97/04/92/561970492.db2.gz YIQDAIQRXPGNED-DEOSSOPVSA-N 1 0 568.740 3.026 1 0 KGAFRO C[NH+]1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccccc4s3)CCCC2)CC1 ZINC000028825216 561970568 /nfs/dbraw/zinc/97/05/68/561970568.db2.gz VAIWDACCTULQEF-AREMUKBSSA-N 1 0 575.779 3.425 1 0 KGAFRO CC[C@@H]1CCC[C@H](C2(OC(=O)N3C[C@H]4CC[C@@H](C3)[N@H+]4CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028827254 561971582 /nfs/dbraw/zinc/97/15/82/561971582.db2.gz LXOFZYZTCPEGNV-CUDBPUKSSA-N 1 0 526.099 3.472 1 0 KGAFRO CC[C@@H]1CCC[C@H](C2(OC(=O)N3C[C@H]4CC[C@@H](C3)[N@H+]4CCO)CC2)N1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000028827259 561971572 /nfs/dbraw/zinc/97/15/72/561971572.db2.gz XWKRTKOWMQDAIK-CROMWVBPSA-N 1 0 527.634 3.097 1 0 KGAFRO COc1ccc(-n2nc(-n3cnnn3)c3c2C(=O)N(c2ccc(-c4ccccc4C[N@@H+]4CC[C@@H](O)C4)cc2)CC3)cc1 ZINC000028863541 561972331 /nfs/dbraw/zinc/97/23/31/561972331.db2.gz HDWBKYNEUKAHLE-RUZDIDTESA-N 1 0 562.634 3.293 1 0 KGAFRO COc1cccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cn(CCC[NH+](C)C)cn4)n(C)c3)n(C)c2)c1 ZINC000028863576 561972389 /nfs/dbraw/zinc/97/23/89/561972389.db2.gz FDJWIDVPVVSYMJ-UHFFFAOYSA-N 1 0 546.632 3.277 1 0 KGAFRO COc1ccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cn(CCC[NH+](C)C)cn4)n(C)c3)n(C)c2)cc1 ZINC000028863578 561972336 /nfs/dbraw/zinc/97/23/36/561972336.db2.gz YQLIWSDHYTWSMJ-UHFFFAOYSA-N 1 0 546.632 3.277 1 0 KGAFRO Cn1c2ccccc2nc1CN1CCc2c(c(=O)n(CC[N@H+](C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1 ZINC000028864149 561972574 /nfs/dbraw/zinc/97/25/74/561972574.db2.gz UJIDFRPEHKUDFQ-UHFFFAOYSA-N 1 0 599.686 3.351 1 0 KGAFRO O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCC[NH2+]1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864256 561973085 /nfs/dbraw/zinc/97/30/85/561973085.db2.gz JXRZZUPPJWMGBX-LJQANCHMSA-N 1 0 500.977 3.300 1 0 KGAFRO COc1cccc(C(=[NH2+])Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCN5CCOCC5)n(C)c4)n(C)c3)n(C)c2)c1 ZINC000028864287 561973133 /nfs/dbraw/zinc/97/31/33/561973133.db2.gz BIPQXNUCVRKSNI-UHFFFAOYSA-N 1 0 643.749 3.105 1 0 KGAFRO O=C(c1ccc(C(=O)N2CCN(c3ccc(OCCC[NH+]4CCCCC4)cc3)C(=O)C2)cc1)N1CCC1 ZINC000028870237 561974031 /nfs/dbraw/zinc/97/40/31/561974031.db2.gz YHJWIIDATXEAMQ-UHFFFAOYSA-N 1 0 504.631 3.276 1 0 KGAFRO O=C(c1ccc(C(=O)N2CCN(c3ccc(OC4CC[NH+](C5CCC5)CC4)cc3)C(=O)C2)cc1)N1CCC1 ZINC000028870380 561974033 /nfs/dbraw/zinc/97/40/33/561974033.db2.gz XMKPWAJOBWNRGY-UHFFFAOYSA-N 1 0 516.642 3.417 1 0 KGAFRO CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(OC4CC[NH+](C5CCCC5)CC4)cc3)C(=O)C2)cc1 ZINC000028870396 561974024 /nfs/dbraw/zinc/97/40/24/561974024.db2.gz LOSURSDSSSDQIC-UHFFFAOYSA-N 1 0 525.671 3.365 1 0 KGAFRO CS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(OC4CC[NH+](C5CCCC5)CC4)cc3)C(=O)C2)c1 ZINC000028870401 561974019 /nfs/dbraw/zinc/97/40/19/561974019.db2.gz PXHUCWURIPYBAX-UHFFFAOYSA-N 1 0 525.671 3.365 1 0 KGAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3C[NH2+]CCN3)=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028870830 561974190 /nfs/dbraw/zinc/97/41/90/561974190.db2.gz PNYSCAYOUYBQEA-AYQJTBPPSA-N 1 0 565.722 3.143 1 0 KGAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3C[NH2+]CCN3)=NN[C@H]2CCc2ccccc2)cc1 ZINC000028870835 561974204 /nfs/dbraw/zinc/97/42/04/561974204.db2.gz PNYSCAYOUYBQEA-MJSOWUPRSA-N 1 0 565.722 3.143 1 0 KGAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3C[NH2+]CCN3)=NN[C@@H]2CCc2ccccc2)cc1 ZINC000028870839 561974240 /nfs/dbraw/zinc/97/42/40/561974240.db2.gz PNYSCAYOUYBQEA-OLUZHXLYSA-N 1 0 565.722 3.143 1 0 KGAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3C[NH2+]CCN3)=NN[C@H]2CCc2ccccc2)cc1 ZINC000028870844 561974214 /nfs/dbraw/zinc/97/42/14/561974214.db2.gz PNYSCAYOUYBQEA-JFHPUIQFSA-N 1 0 565.722 3.143 1 0 KGAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3C[NH2+]CCN3)=NN[C@@H]2CCc2ccccc2)c(OC)c1 ZINC000028870863 561974210 /nfs/dbraw/zinc/97/42/10/561974210.db2.gz JUWUBTRCLVHZON-JNGVYSEMSA-N 1 0 595.748 3.152 1 0 KGAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3C[NH2+]CCN3)=NN[C@H]2CCc2ccccc2)c(OC)c1 ZINC000028870865 561974199 /nfs/dbraw/zinc/97/41/99/561974199.db2.gz JUWUBTRCLVHZON-PYPSMOBWSA-N 1 0 595.748 3.152 1 0 KGAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3C[NH2+]CCN3)=NN[C@@H]2CCc2ccccc2)c(OC)c1 ZINC000028870868 561974222 /nfs/dbraw/zinc/97/42/22/561974222.db2.gz JUWUBTRCLVHZON-FUWNPBJGSA-N 1 0 595.748 3.152 1 0 KGAFRO COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3C[NH2+]CCN3)=NN[C@H]2CCc2ccccc2)c(OC)c1 ZINC000028870871 561974244 /nfs/dbraw/zinc/97/42/44/561974244.db2.gz JUWUBTRCLVHZON-ANJBIJILSA-N 1 0 595.748 3.152 1 0 KGAFRO COc1ccc(C)c(O[C@@H](CC[NH+]2CCC(n3c4ccccc4n(CC(=O)NCCO)c3=O)CC2)C(C)C)c1 ZINC000028874938 561975440 /nfs/dbraw/zinc/97/54/40/561975440.db2.gz JFBYKJVFAILWGC-MHZLTWQESA-N 1 0 538.689 3.359 1 0 KGAFRO COc1ccc(C)c(O[C@H](CC[NH+]2CCC(n3c4ccccc4n(CC(=O)NCCO)c3=O)CC2)C(C)C)c1 ZINC000028874946 561975455 /nfs/dbraw/zinc/97/54/55/561975455.db2.gz JFBYKJVFAILWGC-HHHXNRCGSA-N 1 0 538.689 3.359 1 0 KGAFRO O=C(NC1CCN(Cc2ccc(C(=O)NCC[NH+]3CCCC3)c(F)c2)CC1)c1cc(=O)c2ccc(F)cc2o1 ZINC000028884185 561977409 /nfs/dbraw/zinc/97/74/09/561977409.db2.gz QXPHIRCHQSOMMO-UHFFFAOYSA-N 1 0 538.595 3.291 1 0 KGAFRO COc1cc(C(=O)NCC[NH+]2CCCC2)ccc1CN1CCC(NC(=O)c2cc(=O)c3ccc(F)cc3o2)CC1 ZINC000028884225 561977419 /nfs/dbraw/zinc/97/74/19/561977419.db2.gz DMGSWCYGFARROW-UHFFFAOYSA-N 1 0 550.631 3.161 1 0 KGAFRO Cc1cc(COc2ccc(C(=O)NCC3(C4CC[NH2+]CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028892583 561978505 /nfs/dbraw/zinc/97/85/05/561978505.db2.gz NOXUFSHDRYQLKO-UHFFFAOYSA-N 1 0 515.570 3.044 1 0 KGAFRO Cc1cc(COc2ccc(C(=O)NCC3(C4CC[NH+](C)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028892588 561978533 /nfs/dbraw/zinc/97/85/33/561978533.db2.gz WUUXXJBNJKDVJH-UHFFFAOYSA-N 1 0 529.597 3.387 1 0 KGAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2ccc3ccccc3c2)C(C)C)cc1 ZINC000028895913 561979166 /nfs/dbraw/zinc/97/91/66/561979166.db2.gz QMDHHFIPTJWITB-KVBYWJEESA-N 1 0 734.902 3.387 1 0 KGAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCc2cccc3ccccc32)C(C)C)cc1 ZINC000028895938 561979141 /nfs/dbraw/zinc/97/91/41/561979141.db2.gz OQVUBPCWEIDNEW-KVBYWJEESA-N 1 0 734.902 3.387 1 0 KGAFRO CC(C)[C@H](NC(=O)c1ccc(NC(=O)CCCCNC(N)=[NH2+])cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000028896016 561979165 /nfs/dbraw/zinc/97/91/65/561979165.db2.gz ZZTZVGJFGZGJSE-JDXGNMNLSA-N 1 0 613.763 3.077 1 0 KGAFRO CC(C)[C@H](NC(=O)c1ccc(N(CC(=O)NC(C)(C)C)C(=O)CCCCNC(N)=[NH2+])cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000028896240 561979176 /nfs/dbraw/zinc/97/91/76/561979176.db2.gz ZCTZZWVHSCBIPP-SHUZPENHSA-N 1 0 726.923 3.386 1 0 KGAFRO O=C(CO)NC1CC[NH+](Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CC1 ZINC000028903116 561980131 /nfs/dbraw/zinc/98/01/31/561980131.db2.gz VWQGZWGCZQZISM-UHFFFAOYSA-N 1 0 528.592 3.083 1 0 KGAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H](NC(=O)[C@H](O)Cc2ccccc2)C2CCCCC2)cc1 ZINC000028903425 561980321 /nfs/dbraw/zinc/98/03/21/561980321.db2.gz DCNVUHVHEPXIIJ-MYSYHGOYSA-N 1 0 587.765 3.415 1 0 KGAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](NC(=O)[C@H](O)Cc2ccccc2)C2CCCCC2)cc1 ZINC000028903431 561980303 /nfs/dbraw/zinc/98/03/03/561980303.db2.gz DCNVUHVHEPXIIJ-WQOITCGXSA-N 1 0 587.765 3.415 1 0 KGAFRO COc1ccc(Br)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)C[N@H+](C)[C@@H]1C2 ZINC000028949888 561981037 /nfs/dbraw/zinc/98/10/37/561981037.db2.gz XWVDFPIISCHLLO-WHSLLNHNSA-N 1 0 557.518 3.241 1 0 KGAFRO CC1CCC(C2(C(=O)NC(C)(C)C)CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H]3C[N@H+](C)CCN3)CC2)CC1 ZINC000028949904 561981059 /nfs/dbraw/zinc/98/10/59/561981059.db2.gz OHUUAUIQJKMPAV-RICNADKYSA-N 1 0 571.782 3.106 1 0 KGAFRO C[N@@H+]1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCC(C)(C)CC3)CC2)C1 ZINC000028949907 561981098 /nfs/dbraw/zinc/98/10/98/561981098.db2.gz LNCCYFHBELRZJF-RRPNLBNLSA-N 1 0 585.809 3.497 1 0 KGAFRO C[N@@H+]1CCN[C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3(C)CCCCC3)CC2)C1 ZINC000028949911 561981047 /nfs/dbraw/zinc/98/10/47/561981047.db2.gz KUUZDVYQUFQCFF-IZZNHLLZSA-N 1 0 571.782 3.251 1 0 KGAFRO Cc1ccc(C[NH2+]C[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952304 561981792 /nfs/dbraw/zinc/98/17/92/561981792.db2.gz LHLMXUIIDZMSKK-OAQYLSRUSA-N 1 0 506.569 3.241 1 0 KGAFRO CCNC(=O)[C@H](CC[N@H+](C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000028952333 561981812 /nfs/dbraw/zinc/98/18/12/561981812.db2.gz HHCXTVSNSLXIJU-QFIPXVFZSA-N 1 0 506.569 3.195 1 0 KGAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(C)C)c(C)c1 ZINC000028952355 561981830 /nfs/dbraw/zinc/98/18/30/561981830.db2.gz SVGYEBVMEHPHCS-QFIPXVFZSA-N 1 0 506.569 3.099 1 0 KGAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCC2)c(C)c1 ZINC000028952368 561981789 /nfs/dbraw/zinc/98/17/89/561981789.db2.gz GKHDPJJGUXXRIQ-QHCPKHFHSA-N 1 0 518.580 3.385 1 0 KGAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(F)(F)F)c(C)c1 ZINC000028952379 561981919 /nfs/dbraw/zinc/98/19/19/561981919.db2.gz CXZYPDWUSNZEDZ-IBGZPJMESA-N 1 0 532.485 3.005 1 0 KGAFRO CCc1ccccc1C[NH2+]C[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C ZINC000028952390 561981922 /nfs/dbraw/zinc/98/19/22/561981922.db2.gz XWZSYNVMIJQPAE-NRFANRHFSA-N 1 0 506.569 3.187 1 0 KGAFRO CC(C)(C)NC(=O)[C@H](C[NH2+]Cc1ccc(Br)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000028952398 561981977 /nfs/dbraw/zinc/98/19/77/561981977.db2.gz SIBIFTUPQFSVBV-IBGZPJMESA-N 1 0 557.411 3.387 1 0 KGAFRO CCc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 ZINC000028952401 561981953 /nfs/dbraw/zinc/98/19/53/561981953.db2.gz RBTPLFXLAYIKKD-NRFANRHFSA-N 1 0 506.569 3.187 1 0 KGAFRO CCc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952410 561981906 /nfs/dbraw/zinc/98/19/06/561981906.db2.gz QRPKNKZUXDIPJG-QFIPXVFZSA-N 1 0 520.596 3.495 1 0 KGAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1F ZINC000028952416 561981957 /nfs/dbraw/zinc/98/19/57/561981957.db2.gz DGSGUNUOVWWVMQ-FQEVSTJZSA-N 1 0 510.532 3.072 1 0 KGAFRO COc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1C ZINC000028952422 561981946 /nfs/dbraw/zinc/98/19/46/561981946.db2.gz TZUMZWROSICREM-NRFANRHFSA-N 1 0 536.595 3.250 1 0 KGAFRO COc1cc(C)c(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1C ZINC000028952424 561981999 /nfs/dbraw/zinc/98/19/99/561981999.db2.gz RHWLLHKNCPYMQZ-NRFANRHFSA-N 1 0 536.595 3.250 1 0 KGAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cccc(OC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 ZINC000028952432 561981981 /nfs/dbraw/zinc/98/19/81/561981981.db2.gz CIRPPSNKYVUJNF-NRFANRHFSA-N 1 0 522.568 3.121 1 0 KGAFRO CNc1cc(C(=O)NCC(=O)N[C@@H](C[NH2+]Cc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 ZINC000028952456 561982110 /nfs/dbraw/zinc/98/21/10/561982110.db2.gz UGCKLKBKXFXRGZ-QFIPXVFZSA-N 1 0 535.611 3.283 1 0 KGAFRO Cc1cc(Br)ccc1C[NH2+]C[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C ZINC000028952470 561982055 /nfs/dbraw/zinc/98/20/55/561982055.db2.gz FQVOQFDNIZIQOT-IBGZPJMESA-N 1 0 586.453 3.278 1 0 KGAFRO CCCC[C@H]([NH3+])[C@H](Cc1ccccc1)NC(=O)c1cc(NC[C@@H]2C[C@@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000028953564 561982553 /nfs/dbraw/zinc/98/25/53/561982553.db2.gz NWXMMDTWUBTQIQ-QGQQZZQASA-N 1 0 501.697 3.404 1 0 KGAFRO CCCC[C@H]([NH3+])[C@H](Cc1ccccc1)NC(=O)c1cc(NC[C@@H]2C[C@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000028953567 561982544 /nfs/dbraw/zinc/98/25/44/561982544.db2.gz NWXMMDTWUBTQIQ-PVSGBFIBSA-N 1 0 501.697 3.404 1 0 KGAFRO CCCC[C@H]([NH3+])[C@H](Cc1ccccc1)NC(=O)c1cc(NC[C@H]2C[C@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000028953569 561982437 /nfs/dbraw/zinc/98/24/37/561982437.db2.gz NWXMMDTWUBTQIQ-QQUTXWOLSA-N 1 0 501.697 3.404 1 0 KGAFRO CCCC[C@H]([NH3+])[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@@H]2C[C@@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000028953578 561982443 /nfs/dbraw/zinc/98/24/43/561982443.db2.gz MSSOOXCWRUWADA-FIRPJDEBSA-N 1 0 507.726 3.465 1 0 KGAFRO CCCC[C@H]([NH3+])[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@@H]2C[C@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000028953580 561982538 /nfs/dbraw/zinc/98/25/38/561982538.db2.gz MSSOOXCWRUWADA-SEVLPDGMSA-N 1 0 507.726 3.465 1 0 KGAFRO CCCC[C@H]([NH3+])[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@H]2C[C@H]2C)nc(N(C)S(C)(=O)=O)c1 ZINC000028953582 561982481 /nfs/dbraw/zinc/98/24/81/561982481.db2.gz MSSOOXCWRUWADA-DBOLQNLKSA-N 1 0 507.726 3.465 1 0 KGAFRO CS(=O)(=O)N1C[C@H](C(=O)N2CCN(C3(C[NH2+]Cc4ccncc4)CCCCC3)CC2)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028953955 561982756 /nfs/dbraw/zinc/98/27/56/561982756.db2.gz HABVGNDQIFPMBJ-SXOMAYOGSA-N 1 0 574.191 3.347 1 0 KGAFRO C[N@@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)Cc1c2cc(I)ccc2[nH]c1[C@@H]3O5 ZINC000028955461 561983070 /nfs/dbraw/zinc/98/30/70/561983070.db2.gz FQPFKUPUPZAADS-LMDOGRNLSA-N 1 0 500.336 3.397 1 0 KGAFRO C[C@H]1C(=O)Nc2cccc(OC[C@@H](O)C[NH2+]C(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 ZINC000028957983 561983440 /nfs/dbraw/zinc/98/34/40/561983440.db2.gz WAMWYZOEWMINIF-XLIONFOSSA-N 1 0 504.587 3.379 1 0 KGAFRO CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2 ZINC000028958045 561983548 /nfs/dbraw/zinc/98/35/48/561983548.db2.gz WWQNLFHPDNSZMK-FQEVSTJZSA-N 1 0 516.598 3.307 1 0 KGAFRO COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC ZINC000028958051 561983532 /nfs/dbraw/zinc/98/35/32/561983532.db2.gz FAPFLIWIGPTUPT-FGZHOGPDSA-N 1 0 500.617 3.258 1 0 KGAFRO COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC ZINC000028958076 561983563 /nfs/dbraw/zinc/98/35/63/561983563.db2.gz FAPFLIWIGPTUPT-VXKWHMMOSA-N 1 0 500.617 3.258 1 0 KGAFRO COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC ZINC000028958079 561983521 /nfs/dbraw/zinc/98/35/21/561983521.db2.gz FAPFLIWIGPTUPT-YADHBBJMSA-N 1 0 500.617 3.258 1 0 KGAFRO COc1ccc(CC(Cc2ccc(OC)c(OC)c2)[NH2+]C[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC ZINC000028958122 561983578 /nfs/dbraw/zinc/98/35/78/561983578.db2.gz WRXCIXZVWQRAMR-QHCPKHFHSA-N 1 0 574.696 3.145 1 0 KGAFRO CC(C)[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)N2CCN(c3ccccc3CNS(C)(=O)=O)CC2)C1 ZINC000028959633 561983893 /nfs/dbraw/zinc/98/38/93/561983893.db2.gz ALBKLLMXNTWAOQ-BJKOFHAPSA-N 1 0 519.111 3.162 1 0 KGAFRO COc1cc2c(cc1N1C[C@@H](C)[NH2+][C@@H](C)C1)N(S(=O)(=O)Cc1cccc(I)c1)CC2 ZINC000028960711 561984102 /nfs/dbraw/zinc/98/41/02/561984102.db2.gz KHSQMIVNRHHYFJ-IYBDPMFKSA-N 1 0 541.455 3.379 1 0 KGAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)c2ccccc2)c1 ZINC000028968549 561985626 /nfs/dbraw/zinc/98/56/26/561985626.db2.gz JPMKQIPORISWAS-RRPNLBNLSA-N 1 0 510.656 3.127 1 0 KGAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)C2CCCCC2)c1 ZINC000028968562 561985639 /nfs/dbraw/zinc/98/56/39/561985639.db2.gz RQDWQQJXHMJFCZ-RRPNLBNLSA-N 1 0 516.704 3.401 1 0 KGAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)C2CCCCC2)c1 ZINC000028968563 561985662 /nfs/dbraw/zinc/98/56/62/561985662.db2.gz AFMVYJGZMLXDSL-IZZNHLLZSA-N 1 0 502.677 3.011 1 0 KGAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)CCC(C)C)c1 ZINC000028968572 561985605 /nfs/dbraw/zinc/98/56/05/561985605.db2.gz HANOKGOIMNNZGY-IZZNHLLZSA-N 1 0 504.693 3.114 1 0 KGAFRO CCCN(CCC)S(=O)(=O)CCCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OC)c1 ZINC000028968617 561985668 /nfs/dbraw/zinc/98/56/68/561985668.db2.gz FQTKIOCGHMSTMS-RRPNLBNLSA-N 1 0 533.735 3.105 1 0 KGAFRO CCCCN(CCCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OC)c1 ZINC000028968622 561985601 /nfs/dbraw/zinc/98/56/01/561985601.db2.gz SORSKESEAHGMMJ-WUFINQPMSA-N 1 0 547.762 3.495 1 0 KGAFRO CC(=O)c1sc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C ZINC000028975225 561986447 /nfs/dbraw/zinc/98/64/47/561986447.db2.gz IRBQOVMCXICGDZ-QKNQBKEWSA-N 1 0 522.668 3.283 1 0 KGAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1 ZINC000028978361 561987849 /nfs/dbraw/zinc/98/78/49/561987849.db2.gz ARWMRRUIIHCDKG-PWUSVURUSA-N 1 0 563.743 3.374 1 0 in-vitro KGAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCSCC2)cc(N2CCCC2=O)c1 ZINC000028978385 561987834 /nfs/dbraw/zinc/98/78/34/561987834.db2.gz JKMKQSJNAYENGT-IZZNHLLZSA-N 1 0 510.704 3.432 1 0 KGAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)n2)cc(N2CCCC2=O)c1 ZINC000028978601 561987853 /nfs/dbraw/zinc/98/78/53/561987853.db2.gz NBDKAUCCFLDJRV-RRPNLBNLSA-N 1 0 531.657 3.141 1 0 KGAFRO CC(C)NC(=O)[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)C(C)C ZINC000029037412 561988570 /nfs/dbraw/zinc/98/85/70/561988570.db2.gz QIMOZJSXOGGKAV-FHQWFHQGSA-N 1 0 679.884 3.414 1 0 KGAFRO CC(C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1 ZINC000029037421 561988536 /nfs/dbraw/zinc/98/85/36/561988536.db2.gz TYLAFXLTQJYGOT-MXUAVAHLSA-N 1 0 580.751 3.273 1 0 KGAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)NCc3nc(C)oc3C)cc(N(C)S(C)(=O)=O)c2)c1 ZINC000029037423 561988544 /nfs/dbraw/zinc/98/85/44/561988544.db2.gz XWXGQIHGYRQPIQ-XDFJSJKPSA-N 1 0 663.797 3.118 1 0 KGAFRO CC[C@@H]1CCC[C@H](C2(CC(=O)N3C[C@H]4CC[C@@H](C3)[N@H+]4CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000029038560 561989075 /nfs/dbraw/zinc/98/90/75/561989075.db2.gz TUQYNUMCKKHFKS-PIATZUFCSA-N 1 0 524.127 3.500 1 0 KGAFRO O=C(CC1([C@H]2CCC[C@@H](C3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC000029038574 561989084 /nfs/dbraw/zinc/98/90/84/561989084.db2.gz FXFOLNQQHHEMOR-TVYALGDOSA-N 1 0 536.138 3.500 1 0 KGAFRO O=C([C@@H]1C[C@@H]2c3cccc4[nH]c(Br)c(c43)C[C@H]2[N@H+](CCCO)C1)N1CCN(c2ccccn2)CC1 ZINC000029038682 561989215 /nfs/dbraw/zinc/98/92/15/561989215.db2.gz OTBHQIBQOAQNAT-KKLQWCBXSA-N 1 0 538.490 3.387 1 0 KGAFRO CCn1c(=O)cccc1N1CCN(C(=O)[C@@H]2C[C@@H]3c4cccc5[nH]c(Br)c(c54)C[C@H]3[N@H+](C)C2)CC1 ZINC000029038702 561989124 /nfs/dbraw/zinc/98/91/24/561989124.db2.gz HINUKPGHYMZLRL-SFGWALBWSA-N 1 0 538.490 3.421 1 0 KGAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccco2)[C@H](O)C[NH2+]Cc2cccc(OC)c2)cc(N2CCCCS2(=O)=O)c1 ZINC000029039620 561990082 /nfs/dbraw/zinc/99/00/82/561990082.db2.gz DZDPXRZSBXSGCD-WUFINQPMSA-N 1 0 570.712 3.142 1 0 KGAFRO CCc1cc(NC(=O)N[C@H](C)[C@@H](O)C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc(-c2nnnn2C)c1 ZINC000029039931 561990197 /nfs/dbraw/zinc/99/01/97/561990197.db2.gz SGWACYVRKXWJNK-QLWBXOBMSA-N 1 0 509.630 3.404 1 0 KGAFRO Cc1c(OCCN2CC[NH+](C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4cccnc4)cc3F)c12 ZINC000029040574 561990667 /nfs/dbraw/zinc/99/06/67/561990667.db2.gz VONPMQHGBZMIQD-UHFFFAOYSA-N 1 0 505.554 3.243 1 0 KGAFRO O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(CN4CC[NH2+]CC4)c23)c(F)c1 ZINC000029040616 561990744 /nfs/dbraw/zinc/99/07/44/561990744.db2.gz VSHBKTLTOHLWDO-UHFFFAOYSA-N 1 0 521.528 3.096 1 0 KGAFRO C[NH+]1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)CC1 ZINC000029040618 561990722 /nfs/dbraw/zinc/99/07/22/561990722.db2.gz XMTAJBTUPLHEDT-UHFFFAOYSA-N 1 0 535.555 3.438 1 0 KGAFRO [NH3+][C@@H]1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)C1 ZINC000029040624 561990802 /nfs/dbraw/zinc/99/08/02/561990802.db2.gz PVXNNCDQTCGDOV-LJQANCHMSA-N 1 0 521.528 3.224 1 0 KGAFRO [NH3+][C@H]1CCN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)C1 ZINC000029040626 561990738 /nfs/dbraw/zinc/99/07/38/561990738.db2.gz PVXNNCDQTCGDOV-IBGZPJMESA-N 1 0 521.528 3.224 1 0 KGAFRO [NH3+]CC1CN(Cc2ccn3ncnc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)C1 ZINC000029040628 561990753 /nfs/dbraw/zinc/99/07/53/561990753.db2.gz FIGRHFKKEQZCFS-UHFFFAOYSA-N 1 0 521.528 3.081 1 0 KGAFRO CC[N@H+](CCO)CCCOc1cc2cnnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC ZINC000029041240 561991144 /nfs/dbraw/zinc/99/11/44/561991144.db2.gz DXGPRHXYKAXVHJ-UHFFFAOYSA-N 1 0 537.596 3.439 1 0 KGAFRO COc1cc(CC(=O)N(C)[C@H](C[NH+]2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCCC2)cc1OC ZINC000029043033 561991824 /nfs/dbraw/zinc/99/18/24/561991824.db2.gz UVLQHEVXPSMZAK-HSZRJFAPSA-N 1 0 515.676 3.326 1 0 KGAFRO COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)NCC4CC[NH+](C)CC4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029045019 561992403 /nfs/dbraw/zinc/99/24/03/561992403.db2.gz CSZWVONPDRUZRG-UHFFFAOYSA-N 1 0 613.785 3.054 1 0 KGAFRO COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)NCC(C)(C)C[NH+](C)C)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029045025 561992401 /nfs/dbraw/zinc/99/24/01/561992401.db2.gz HHUYKZMAEVYBRK-UHFFFAOYSA-N 1 0 615.801 3.300 1 0 KGAFRO COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)NC[C@@H]4CCC[N@H+](C)C4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029045160 561992430 /nfs/dbraw/zinc/99/24/30/561992430.db2.gz ORLXPQBLWSJGJX-FQEVSTJZSA-N 1 0 613.785 3.054 1 0 KGAFRO COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)NC[C@H]4CCC[N@H+](C)C4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029045163 561992412 /nfs/dbraw/zinc/99/24/12/561992412.db2.gz ORLXPQBLWSJGJX-HXUWFJFHSA-N 1 0 613.785 3.054 1 0 KGAFRO COc1c(NC(=O)c2ccc(C)c(N3C=C(C(=O)NCC(C)(C)[NH+](C)C)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000029045323 561992523 /nfs/dbraw/zinc/99/25/23/561992523.db2.gz RTGHHYQBJWJEMJ-UHFFFAOYSA-N 1 0 601.774 3.052 1 0 KGAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](CO)[NH2+]C3CCCC3)c2=O)c1F ZINC000029048088 561993456 /nfs/dbraw/zinc/99/34/56/561993456.db2.gz JZSROLNMVMWIPH-GOSISDBHSA-N 1 0 517.548 3.353 1 0 KGAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1)[C@@H]1CN(Cc2ccccc2)C(=O)N1 ZINC000029048407 561993589 /nfs/dbraw/zinc/99/35/89/561993589.db2.gz XIHBZDLDTUBMCD-KKUQBAQOSA-N 1 0 540.586 3.477 1 0 KGAFRO O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OC(F)(F)F)c1)[C@@H]1CN(Cc2ccccc2)C(=O)N1 ZINC000029050586 561994216 /nfs/dbraw/zinc/99/42/16/561994216.db2.gz ALDJXOMRVJRQQK-KKUQBAQOSA-N 1 0 556.585 3.357 1 0 KGAFRO CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[NH+](C[C@@H]2C[C@@H]2C(=O)OCC)C[C@@H]2C[C@@H]2C(=O)OCC)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029125130 561997220 /nfs/dbraw/zinc/99/72/20/561997220.db2.gz MTAFKZCVXGJVEX-UUFIHWKQSA-N 1 0 703.797 3.389 1 0 KGAFRO CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[N@@H+](C[C@@H]2C[C@@H]2C(=O)OCC)C[C@H]2C[C@@H]2C(=O)OCC)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029125132 561997256 /nfs/dbraw/zinc/99/72/56/561997256.db2.gz MTAFKZCVXGJVEX-YIQMNOFKSA-N 1 0 703.797 3.389 1 0 KGAFRO CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[N@@H+](C[C@@H]2C[C@H]2C(=O)OCC)C[C@@H]2C[C@@H]2C(=O)OCC)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029125134 561997251 /nfs/dbraw/zinc/99/72/51/561997251.db2.gz MTAFKZCVXGJVEX-CGOZVCKNSA-N 1 0 703.797 3.389 1 0 KGAFRO CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[N@@H+](C[C@@H]2C[C@@H]2C(=O)OCC)C[C@H]2C[C@H]2C(=O)OCC)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21 ZINC000029125136 561997341 /nfs/dbraw/zinc/99/73/41/561997341.db2.gz MTAFKZCVXGJVEX-WVXDQVFISA-N 1 0 703.797 3.389 1 0 KGAFRO CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000029125472 561997601 /nfs/dbraw/zinc/99/76/01/561997601.db2.gz XOPHHKQWDWBCDG-DCSNJQJVSA-N 1 0 729.702 3.354 1 0 KGAFRO CC(C)C[C@H](NC(=O)NCc1ccc(Cl)c(Cl)c1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)C(C)C ZINC000029125515 561997686 /nfs/dbraw/zinc/99/76/86/561997686.db2.gz TZODCMWFXOTDNK-FKBYEOEOSA-N 1 0 655.653 3.436 1 0 KGAFRO CC(C)C[C@H](NC(=O)NCc1ccc(Cl)cc1Cl)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)C(C)C ZINC000029125516 561997652 /nfs/dbraw/zinc/99/76/52/561997652.db2.gz NNDYJWLIXNEDOW-FKBYEOEOSA-N 1 0 655.653 3.436 1 0 KGAFRO CN(CC[NH+](C)C)C(=O)CN([C@@H]1CCCN(c2ccc(-n3ccccc3=O)cc2F)C1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1 ZINC000029125640 561997886 /nfs/dbraw/zinc/99/78/86/561997886.db2.gz BWBZOJZMAGJALC-XMMPIXPASA-N 1 0 675.208 3.446 1 0 KGAFRO CN(CC[NH+](C)C)C(=O)CN([C@H]1CCCN(c2ccc(-n3ccccc3=O)cc2F)C1=O)S(=O)(=O)c1cc2ccc(Cl)nc2s1 ZINC000029125641 561997888 /nfs/dbraw/zinc/99/78/88/561997888.db2.gz BWBZOJZMAGJALC-DEOSSOPVSA-N 1 0 675.208 3.446 1 0 KGAFRO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(CNC(=O)NCC[N@H+](C(C)C)C2CCCC2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000029126772 561998936 /nfs/dbraw/zinc/99/89/36/561998936.db2.gz BAYRBZWUZCNUSW-DEGFIOCKSA-N 1 0 713.884 3.278 1 0 KGAFRO COC[C@H]1O[C@@H](n2cnc3c2nc(NCC[NH+]2CCCCC2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000029127094 561999345 /nfs/dbraw/zinc/99/93/45/561999345.db2.gz ZTKUYEZCNXIYTO-QWOIFIOOSA-N 1 0 587.725 3.234 1 0 KGAFRO CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1 ZINC000029127596 562000088 /nfs/dbraw/zinc/00/00/88/562000088.db2.gz FBDCQORXLIVIPH-PWUSVURUSA-N 1 0 564.727 3.341 1 0 KGAFRO C[C@H](C[C@@H](O)[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-n2ccnn2)cc(-n2ccnn2)c1 ZINC000029129155 562001700 /nfs/dbraw/zinc/00/17/00/562001700.db2.gz GHILKFUWMODLTJ-BNIKKZEQSA-N 1 0 533.612 3.160 1 0 KGAFRO O=C(c1cccc(Nc2nc3nc4c(cnn42)CCCCC(=O)Nc2cccc(c2)N3)c1)N1CC[NH2+]CC1 ZINC000029129199 562001680 /nfs/dbraw/zinc/00/16/80/562001680.db2.gz OXSWMBUZNQIMML-UHFFFAOYSA-N 1 0 511.590 3.322 1 0 KGAFRO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(Cc2cccs2)C1 ZINC000029129347 562001799 /nfs/dbraw/zinc/00/17/99/562001799.db2.gz QNAUIQFUNUANGG-YHYSZDIKSA-N 1 0 569.674 3.411 1 0 KGAFRO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(Cc2ccccc2F)C1 ZINC000029129439 562001932 /nfs/dbraw/zinc/00/19/32/562001932.db2.gz MOYZPMYCZRHSLE-AMUPCTJBSA-N 1 0 581.635 3.488 1 0 KGAFRO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000029129538 562001909 /nfs/dbraw/zinc/00/19/09/562001909.db2.gz TWWDDBWWIJXNSA-XVLIYFGKSA-N 1 0 581.635 3.488 1 0 KGAFRO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000029129612 562001886 /nfs/dbraw/zinc/00/18/86/562001886.db2.gz OECJCYNBTSNVFN-XVLIYFGKSA-N 1 0 581.635 3.488 1 0 KGAFRO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000029129681 562002064 /nfs/dbraw/zinc/00/20/64/562002064.db2.gz AMAMHDYGHUPWNL-BLEPWVTGSA-N 1 0 563.645 3.349 1 0 KGAFRO CCCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](OCc3ccccc3)C[NH2+]2)CC1=O ZINC000029129942 562002126 /nfs/dbraw/zinc/00/21/26/562002126.db2.gz NYPJXBOLQXWFKC-NAWJDLSISA-N 1 0 543.655 3.339 1 0 KGAFRO CC(=O)N[C@H](C[C@@H](C)NC(=O)Nc1cccc(-c2nnnn2C)c1)[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000029129996 562002299 /nfs/dbraw/zinc/00/22/99/562002299.db2.gz JTRFENATSPZVNG-QLWBXOBMSA-N 1 0 522.629 3.333 1 0 KGAFRO CN(CC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c2cccc(Cl)c2)c1)C(=O)OCc1ccccc1 ZINC000029130235 562002369 /nfs/dbraw/zinc/00/23/69/562002369.db2.gz WDJKKMWVQUIKOZ-UHFFFAOYSA-N 1 0 616.140 3.420 1 0 KGAFRO C[NH2+]Cc1nccn1-c1ccc(N2CC[C@@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131262 562002984 /nfs/dbraw/zinc/00/29/84/562002984.db2.gz AVPBCEQISPAHLX-VDZSZVPASA-N 1 0 510.016 3.141 1 0 KGAFRO C[NH2+]Cc1nccn1-c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131264 562002974 /nfs/dbraw/zinc/00/29/74/562002974.db2.gz AVPBCEQISPAHLX-ZBZNSMLMSA-N 1 0 510.016 3.141 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000029131654 562003178 /nfs/dbraw/zinc/00/31/78/562003178.db2.gz QWAXKHKRTORLEM-YTVNLCGNSA-N 1 0 670.855 3.092 1 0 KGAFRO CS(=O)(=O)c1ccc(C[C@H](C(=O)[O-])[NH+]2CCC(C[NH+]3CCC(Oc4ccc(CO)c(Cl)c4)CC3)CC2)cc1 ZINC000029133137 562003457 /nfs/dbraw/zinc/00/34/57/562003457.db2.gz QIIUVDKEXPAARX-HHHXNRCGSA-N 1 0 565.132 3.487 1 0 KGAFRO CS(=O)(=O)c1ccc(C[C@@H](C(=O)[O-])[NH+]2CCC(C[NH+]3CCC(Oc4ccc(CO)c(Cl)c4)CC3)CC2)cc1 ZINC000029133139 562003506 /nfs/dbraw/zinc/00/35/06/562003506.db2.gz QIIUVDKEXPAARX-MHZLTWQESA-N 1 0 565.132 3.487 1 0 KGAFRO CC(C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(NS(C)(=O)=O)cc2CN1 ZINC000029134276 562004026 /nfs/dbraw/zinc/00/40/26/562004026.db2.gz TXPZSPKPSKLGPV-XAOJMSMDSA-N 1 0 542.746 3.219 1 0 KGAFRO CC[C@@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1 ZINC000029135839 562004547 /nfs/dbraw/zinc/00/45/47/562004547.db2.gz XKBIGLITSHIYJL-LBYVEUBFSA-N 1 0 719.887 3.331 1 0 KGAFRO CC[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1 ZINC000029135841 562004467 /nfs/dbraw/zinc/00/44/67/562004467.db2.gz XKBIGLITSHIYJL-PDHQKIGBSA-N 1 0 719.887 3.331 1 0 KGAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]Cc3cccc(N)c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029203986 562004881 /nfs/dbraw/zinc/00/48/81/562004881.db2.gz YPFFTIFIHIHLGV-QNMIOERPSA-N 1 0 504.539 3.486 1 0 KGAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H]([NH2+]Cc3ccccc3N)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029205589 562005109 /nfs/dbraw/zinc/00/51/09/562005109.db2.gz QCBJPUPPRNVTDW-YSQWDHOWSA-N 1 0 504.539 3.486 1 0 KGAFRO COC(=O)[C@H]1C(=O)[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)C[C@@H]2C[N@H+]3CCc4cc5c(cc4[C@H]3C[C@H]12)OCCO5 ZINC000029213847 562006149 /nfs/dbraw/zinc/00/61/49/562006149.db2.gz JMDWGLUOIWGMQK-NLMFHEQPSA-N 1 0 581.618 3.007 1 0 KGAFRO O=C1CN([C@@H]2CC[N@H+](CCc3cccnc3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000029218776 562006958 /nfs/dbraw/zinc/00/69/58/562006958.db2.gz VJFJSFWLQFMARN-PCFFTZKOSA-N 1 0 549.631 3.294 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc2c(c1)-c1ccccc1-2)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029218904 562006886 /nfs/dbraw/zinc/00/68/86/562006886.db2.gz WDMDPNVILMXMEN-CPCREDONSA-N 1 0 651.812 3.364 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000029220949 562007234 /nfs/dbraw/zinc/00/72/34/562007234.db2.gz FJRNUCMNLNLNSC-CPCREDONSA-N 1 0 653.828 3.383 1 0 KGAFRO O=C(CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1)N1CCCC1 ZINC000029221127 562007201 /nfs/dbraw/zinc/00/72/01/562007201.db2.gz ZNVSBFVJADWRNG-MHZLTWQESA-N 1 0 590.706 3.353 1 0 KGAFRO O=C1CN([C@@H]2CC[N@H+](CCC3CC3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000029221176 562007224 /nfs/dbraw/zinc/00/72/24/562007224.db2.gz PKZJYZRNAZUWID-ZMKXSNQSSA-N 1 0 512.610 3.456 1 0 KGAFRO O=C1CN([C@@H]2CC[N@H+](CCc3ccccn3)C2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000029221592 562007236 /nfs/dbraw/zinc/00/72/36/562007236.db2.gz PPIRLYLZDFHHFM-PCFFTZKOSA-N 1 0 549.631 3.294 1 0 KGAFRO C[NH+]1CCN(CCCN2N=C3/C(=C/c4ccc([S@@](C)=O)cc4)COC[C@@H]3[C@@H]2c2ccc([S@@](C)=O)cc2)CC1 ZINC000029253594 562011465 /nfs/dbraw/zinc/01/14/65/562011465.db2.gz KNSWALGXILFJCS-SYIPRPIQSA-N 1 0 554.782 3.242 1 0 KGAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(N4C[C@@H](C)[NH2+][C@@H](C)C4)cc(=O)oc3c2C)OC1(C)C ZINC000029260202 562011635 /nfs/dbraw/zinc/01/16/35/562011635.db2.gz UYRGVXHRKXFYHU-JNXMIIRLSA-N 1 0 569.655 3.040 1 0 KGAFRO COc1ccc(/C=C2\CS(=O)(=O)C[C@H]3C2=NN(CCCN2CC[NH+](C)CC2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000029312208 562012080 /nfs/dbraw/zinc/01/20/80/562012080.db2.gz MLDGDOXCZGCODT-XLMYLCDGSA-N 1 0 538.714 3.182 1 0 KGAFRO COc1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CCCN2CC[NH+](C)CC2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000029312214 562012061 /nfs/dbraw/zinc/01/20/61/562012061.db2.gz MLDGDOXCZGCODT-RTSKKLKRSA-N 1 0 538.714 3.182 1 0 KGAFRO COc1ccc(/C=C2\CS(=O)(=O)C[C@H]3C2=NN(CCCN2CC[NH+](C)CC2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000029312220 562012171 /nfs/dbraw/zinc/01/21/71/562012171.db2.gz MLDGDOXCZGCODT-LKMXBKBRSA-N 1 0 538.714 3.182 1 0 KGAFRO COc1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CCCN2CC[NH+](C)CC2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000029312226 562012193 /nfs/dbraw/zinc/01/21/93/562012193.db2.gz MLDGDOXCZGCODT-UVYJVUIESA-N 1 0 538.714 3.182 1 0 KGAFRO Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(N)=[NH2+])CC1 ZINC000029315125 562012380 /nfs/dbraw/zinc/01/23/80/562012380.db2.gz MTZGOMUZAAZNCZ-UHFFFAOYSA-N 1 0 528.657 3.039 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000029336523 562014396 /nfs/dbraw/zinc/01/43/96/562014396.db2.gz XDMLTXRFNAMMEN-SVBPBHIXSA-N 1 0 560.699 3.267 1 0 KGAFRO CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](CSCCC[NH3+])C(=O)N2CCC(CCF)CC2)C1 ZINC000029338112 562014632 /nfs/dbraw/zinc/01/46/32/562014632.db2.gz JMZFIOOXUXETFA-FQEVSTJZSA-N 1 0 514.733 3.008 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000029341284 562015257 /nfs/dbraw/zinc/01/52/57/562015257.db2.gz MSSXJZJOEQXMGF-KYJUHHDHSA-N 1 0 607.715 3.411 1 0 KGAFRO CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C[C@@H]1CCC[NH2+]1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1 ZINC000029346936 562016323 /nfs/dbraw/zinc/01/63/23/562016323.db2.gz JNVCLAIWBRFFRY-OPPLUPLLSA-N 1 0 669.823 3.360 1 0 KGAFRO CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C[C@H]1CCC[NH2+]1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCc1ccccc1 ZINC000029346941 562016375 /nfs/dbraw/zinc/01/63/75/562016375.db2.gz JNVCLAIWBRFFRY-VTXCPJAZSA-N 1 0 669.823 3.360 1 0 KGAFRO NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1 ZINC000029392075 562017562 /nfs/dbraw/zinc/01/75/62/562017562.db2.gz APXQNCYYJXLPGT-AREMUKBSSA-N 1 0 513.642 3.247 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1 ZINC000029392078 562017541 /nfs/dbraw/zinc/01/75/41/562017541.db2.gz APXQNCYYJXLPGT-SANMLTNESA-N 1 0 513.642 3.247 1 0 KGAFRO CC[C@@H](C)[C@@H]1NC(=O)[C@@H]([NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(C)c2)Cc2ccc(cc2)OCCCNC1=O ZINC000029399092 562019312 /nfs/dbraw/zinc/01/93/12/562019312.db2.gz CCJQIKDICHANAW-GMHIYEQCSA-N 1 0 614.787 3.328 1 0 KGAFRO NC(=[NH2+])c1cccc(OCCN(Cc2cccnc2)C(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 ZINC000029399867 562019489 /nfs/dbraw/zinc/01/94/89/562019489.db2.gz LVDADRJPEQRJGJ-UHFFFAOYSA-N 1 0 529.622 3.401 1 0 KGAFRO COc1ccc2cc(S(=O)(=O)N[C@@H](Cc3ccc(C(N)=[NH2+])s3)C(=O)N(C)C3CCCC3)ccc2c1 ZINC000029405380 562020533 /nfs/dbraw/zinc/02/05/33/562020533.db2.gz LWKKBNUBVJLVAR-QFIPXVFZSA-N 1 0 514.673 3.485 1 0 KGAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+]3CCC[C@@H]3CO)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029406981 562020846 /nfs/dbraw/zinc/02/08/46/562020846.db2.gz RGFCPEHITGVQEU-NBKPRHKNSA-N 1 0 511.571 3.003 1 0 KGAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC[N@@H+]3CCC[C@@H]3CO)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029406983 562020830 /nfs/dbraw/zinc/02/08/30/562020830.db2.gz RGFCPEHITGVQEU-VOUWDAPCSA-N 1 0 511.571 3.003 1 0 KGAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC(=O)NCC[NH+]3CCCCC3)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029410759 562021537 /nfs/dbraw/zinc/02/15/37/562021537.db2.gz FTVQLHPNRWKCQT-QRKUOHCASA-N 1 0 552.624 3.149 1 0 KGAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC(=O)NCC[NH+]3CCCCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000029410762 562021692 /nfs/dbraw/zinc/02/16/92/562021692.db2.gz FTVQLHPNRWKCQT-AEBPZMMYSA-N 1 0 552.624 3.149 1 0 KGAFRO CC(=O)NCC(=O)N(CCCCCO)C1(C(=O)N/C=C\c2c[nH]c3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000029411584 562021792 /nfs/dbraw/zinc/02/17/92/562021792.db2.gz XVRIJSRMXXWICZ-VKAVYKQESA-N 1 0 559.711 3.417 1 0 KGAFRO COC(=O)C[C@](O)(CCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000029411626 562021842 /nfs/dbraw/zinc/02/18/42/562021842.db2.gz WRCBXHDQHPUVHW-QKBZBAIHSA-N 1 0 515.603 3.076 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000029416466 562022973 /nfs/dbraw/zinc/02/29/73/562022973.db2.gz QWAXKHKRTORLEM-KAIAYICASA-N 1 0 670.855 3.092 1 0 fda KGAFRO C[C@@H](O)C[NH2+]C(C)(C)CC(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 ZINC000029463604 562023522 /nfs/dbraw/zinc/02/35/22/562023522.db2.gz ZGDAYGZVQDCMKU-YIXXDRMTSA-N 1 0 521.702 3.334 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@](C)(O)c1ccccc1 ZINC000029467075 562024613 /nfs/dbraw/zinc/02/46/13/562024613.db2.gz GMFUILHJTJDLMT-SQPUWJPZSA-N 1 0 591.749 3.069 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@](C)(O)c1ccccc1 ZINC000029467078 562024596 /nfs/dbraw/zinc/02/45/96/562024596.db2.gz GMFUILHJTJDLMT-GLVGATFSSA-N 1 0 591.749 3.069 1 0 KGAFRO CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000029469845 562025335 /nfs/dbraw/zinc/02/53/35/562025335.db2.gz QVGOLNUEBCOLGS-BKKFENPESA-N 1 0 559.704 3.275 1 0 KGAFRO COCC1=C(C(=O)OC)[C@@H](c2ccc(F)c(F)c2)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 ZINC000029472320 562025803 /nfs/dbraw/zinc/02/58/03/562025803.db2.gz YMKHQZNQLGFISY-AREMUKBSSA-N 1 0 614.646 3.411 1 0 KGAFRO COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCC[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1 ZINC000029472324 562025811 /nfs/dbraw/zinc/02/58/11/562025811.db2.gz YMKHQZNQLGFISY-SANMLTNESA-N 1 0 614.646 3.411 1 0 KGAFRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)OCOC(=O)c1ccc[n+](C)c1 ZINC000029478583 562026744 /nfs/dbraw/zinc/02/67/44/562026744.db2.gz MWTPRKCQHSLANS-HFMPRLQTSA-O 1 0 620.491 3.300 1 0 KGAFRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)OCOC(=O)c1ccc[n+](C)c1 ZINC000029478587 562026803 /nfs/dbraw/zinc/02/68/03/562026803.db2.gz MWTPRKCQHSLANS-DPLHUUCSSA-O 1 0 620.491 3.300 1 0 KGAFRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)OCOC(=O)c1ccc[n+](C)c1 ZINC000029478591 562026759 /nfs/dbraw/zinc/02/67/59/562026759.db2.gz MWTPRKCQHSLANS-AWRGLXIESA-O 1 0 620.491 3.300 1 0 KGAFRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)OCOC(=O)c1ccc[n+](C)c1 ZINC000029478596 562026769 /nfs/dbraw/zinc/02/67/69/562026769.db2.gz MWTPRKCQHSLANS-ZFGGDYGUSA-O 1 0 620.491 3.300 1 0 KGAFRO CC(C)([NH3+])CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1=O ZINC000029480084 562027084 /nfs/dbraw/zinc/02/70/84/562027084.db2.gz BGSAKJBPHFQHBN-HSZRJFAPSA-N 1 0 520.655 3.093 1 0 KGAFRO C[C@@H](O)Cn1nnc(-c2ccccc2-c2ccc(CN3c4ccccc4CC[C@@H](NC(=O)CC(C)(C)[NH3+])C3=O)cc2)n1 ZINC000029480376 562027143 /nfs/dbraw/zinc/02/71/43/562027143.db2.gz FKUSCKCBPYOJGG-JIPXPUAJSA-N 1 0 567.694 3.480 1 0 KGAFRO C[C@H](O)Cn1nnc(-c2ccccc2-c2ccc(CN3c4ccccc4CC[C@@H](NC(=O)CC(C)(C)[NH3+])C3=O)cc2)n1 ZINC000029480379 562027093 /nfs/dbraw/zinc/02/70/93/562027093.db2.gz FKUSCKCBPYOJGG-KDYSTLNUSA-N 1 0 567.694 3.480 1 0 KGAFRO C[C@@H](O)Cn1nnnc1-c1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2=O)cc1 ZINC000029480745 562027278 /nfs/dbraw/zinc/02/72/78/562027278.db2.gz VQGPEALQTUXPFB-JIPXPUAJSA-N 1 0 567.694 3.480 1 0 KGAFRO C[C@H](O)Cn1nnnc1-c1ccccc1-c1ccc(CN2c3ccccc3CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2=O)cc1 ZINC000029480748 562027261 /nfs/dbraw/zinc/02/72/61/562027261.db2.gz VQGPEALQTUXPFB-KDYSTLNUSA-N 1 0 567.694 3.480 1 0 KGAFRO C[C@@H](n1cnc2cc(-c3ccc(C(=[NH2+])NO)cc3)sc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000029484696 562027948 /nfs/dbraw/zinc/02/79/48/562027948.db2.gz PNFUMSXWRZFMHP-DLUDVSRJSA-N 1 0 537.552 3.448 1 0 KGAFRO C[C@H](NC(=O)C[C@@H]1[NH2+]CCc2ccccc21)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000029557012 562032269 /nfs/dbraw/zinc/03/22/69/562032269.db2.gz CFKSTPUYLNWQPP-AXRGIPJOSA-N 1 0 551.691 3.336 1 0 KGAFRO C[C@H](NC(=O)C[C@H]1[NH2+]CCc2ccccc21)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000029557021 562032303 /nfs/dbraw/zinc/03/23/03/562032303.db2.gz CFKSTPUYLNWQPP-KBTGMKBMSA-N 1 0 551.691 3.336 1 0 KGAFRO CCCOC(=O)COC(=O)C1(C(=O)OCC(=O)OCCC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029558509 562032569 /nfs/dbraw/zinc/03/25/69/562032569.db2.gz UHVNFROPMNNLIJ-XXBNENTESA-N 1 0 622.067 3.055 1 0 KGAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](CCc3cccs3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029560251 562032965 /nfs/dbraw/zinc/03/29/65/562032965.db2.gz ANQYWJUUKHEXEZ-ATAZIPLOSA-N 1 0 662.919 3.102 1 0 KGAFRO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](CCc3ccsc3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000029560254 562032950 /nfs/dbraw/zinc/03/29/50/562032950.db2.gz KZFOHIONSNPBFS-ATAZIPLOSA-N 1 0 662.919 3.102 1 0 KGAFRO CC(C)C(=O)OCOC(=O)C1(C(=O)OCOC(=O)C(C)C)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029560982 562033230 /nfs/dbraw/zinc/03/32/30/562033230.db2.gz AFCDGVLMKXJDBY-XXBNENTESA-N 1 0 622.067 3.462 1 0 KGAFRO Cn1cc(Cc2cn(CC(=O)N3CC[NH+](C4CCCCC4)CC3)c(SCc3ccc(F)cc3)nc2=O)cn1 ZINC000029561034 562033217 /nfs/dbraw/zinc/03/32/17/562033217.db2.gz HLJRRDRICQWYDZ-UHFFFAOYSA-N 1 0 538.693 3.476 1 0 KGAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OC[C@@H]1CCOC1)(C(=O)OC[C@@H]1CCOC1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029561073 562033177 /nfs/dbraw/zinc/03/31/77/562033177.db2.gz AMOLEAUVLPOKDK-DYZUWXGSSA-N 1 0 590.069 3.221 1 0 KGAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OC[C@H]1CCOC1)(C(=O)OC[C@H]1CCOC1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029561084 562033225 /nfs/dbraw/zinc/03/32/25/562033225.db2.gz AMOLEAUVLPOKDK-AXJZPPOTSA-N 1 0 590.069 3.221 1 0 KGAFRO CCOCCOC(=O)C1(C(=O)OCCOCC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029561558 562033342 /nfs/dbraw/zinc/03/33/42/562033342.db2.gz DHVRZWGUXZXISF-XXBNENTESA-N 1 0 566.047 3.221 1 0 KGAFRO C[C@H](Cc1ccc2c(c1)OC(C(=O)OCC(C)(C)CO)(C(=O)OCC(C)(C)CO)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000029564237 562034018 /nfs/dbraw/zinc/03/40/18/562034018.db2.gz DWMQGAYDLFINSV-XXBNENTESA-N 1 0 594.101 3.185 1 0 KGAFRO CC(C)OC(=O)COC(=O)C1(C(=O)OCC(=O)OC(C)C)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029564415 562034026 /nfs/dbraw/zinc/03/40/26/562034026.db2.gz UVQPTKLEWIQMHG-XXBNENTESA-N 1 0 622.067 3.051 1 0 KGAFRO CCOC(=O)[C@H](C)OC(=O)C1(C(=O)O[C@@H](C)C(=O)OCC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029564832 562034177 /nfs/dbraw/zinc/03/41/77/562034177.db2.gz CJSNUAXCJPOSFZ-XQQXVUDOSA-N 1 0 622.067 3.051 1 0 KGAFRO CCOC(=O)[C@@H](C)OC(=O)C1(C(=O)O[C@H](C)C(=O)OCC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000029564835 562034198 /nfs/dbraw/zinc/03/41/98/562034198.db2.gz CJSNUAXCJPOSFZ-ZQAYVECASA-N 1 0 622.067 3.051 1 0 KGAFRO NC(=[NH2+])c1ccc(C[C@@H](NC(=O)[C@H]([NH3+])Cc2ccc3ccccc3c2)[P@@](=O)([O-])c2ccccc2)cc1 ZINC000029565819 562034335 /nfs/dbraw/zinc/03/43/35/562034335.db2.gz FKZWUFKVHFUMBK-FTJBHMTQSA-N 1 0 500.539 3.275 1 0 KGAFRO Cc1nccn1CCCCc1ccc([C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)NCCC2CCCCC2)cc1 ZINC000029570047 562035403 /nfs/dbraw/zinc/03/54/03/562035403.db2.gz XSCWSEUDIADRCA-IUNZSJPTSA-N 1 0 610.844 3.495 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H](O)[C@H](Cc1ccc(OCCCN2CCOCC2=O)cc1)NC(=O)OC(C)(C)C ZINC000029570131 562035393 /nfs/dbraw/zinc/03/53/93/562035393.db2.gz SJLKQIOVIJCRQA-GASGPIRDSA-N 1 0 700.874 3.198 1 0 KGAFRO COc1cc([C@H]2c3cc4c(cc3[C@@H]([NH2+]CCN3CCCCC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000031851241 562036446 /nfs/dbraw/zinc/03/64/46/562036446.db2.gz BVESBBFTRAGARG-YIBJGCDOSA-N 1 0 510.587 3.189 1 0 KGAFRO COC(=O)C[C@@](O)(CCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000033830630 562037746 /nfs/dbraw/zinc/03/77/46/562037746.db2.gz WRCBXHDQHPUVHW-CZJMETBBSA-N 1 0 515.603 3.076 1 0 KGAFRO CC[C@H](C)[C@H](C(=O)N[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@H]1C(C)C)[NH+](C)C ZINC000033831221 291782734 /nfs/dbraw/zinc/78/27/34/291782734.db2.gz ULQXKOIGVXLOOC-LYEKYFJLSA-N 1 0 500.684 3.183 1 0 biogenic,in-man KGAFRO COc1cc(F)c2ncc(Cl)c([C@H](O)CN3CCC([NH2+]Cc4cc5c(cn4)OCCO5)CC3)c2c1 ZINC000034211206 562038366 /nfs/dbraw/zinc/03/83/66/562038366.db2.gz WRZNREGWPSFULC-OAQYLSRUSA-N 1 0 502.974 3.490 1 0 KGAFRO COc1cc(F)c2ncc(Cl)c([C@@H](O)CN3CCC([NH2+]Cc4cc5c(cn4)OCCO5)CC3)c2c1 ZINC000034211207 562038399 /nfs/dbraw/zinc/03/83/99/562038399.db2.gz WRZNREGWPSFULC-NRFANRHFSA-N 1 0 502.974 3.490 1 0 KGAFRO C[NH+](C)CCc1cc2cc(CN3CCOCC3)cc3c2n1cc(C(=O)NCc1ccc(Cl)cc1)c3=O ZINC000034314378 562038740 /nfs/dbraw/zinc/03/87/40/562038740.db2.gz NNAIABBWKSADLK-UHFFFAOYSA-N 1 0 507.034 3.410 1 0 KGAFRO CC(C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(C(C)C)cn3c2c(c1)N(C)S(=O)(=O)CC3 ZINC000034555256 562039125 /nfs/dbraw/zinc/03/91/25/562039125.db2.gz CGKMFGSYSCZAQE-AZGAKELHSA-N 1 0 526.703 3.244 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](O)C1c2ccccc2-c2ccccc21)C(=O)c1nc2ccccc2s1 ZINC000034633575 562039319 /nfs/dbraw/zinc/03/93/19/562039319.db2.gz RQVVJGCQLROSFF-IALVYGIMSA-N 1 0 610.740 3.391 1 0 KGAFRO O=C(OC1([C@H]2COC[C@@H](CC3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000034638237 562039400 /nfs/dbraw/zinc/03/94/00/562039400.db2.gz VZTDQEWJIVUVPC-XAPVIXHLSA-N 1 0 510.056 3.004 1 0 KGAFRO CC(C)[C@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000034689251 562039792 /nfs/dbraw/zinc/03/97/92/562039792.db2.gz UDBRERAFHAOQBV-RYCFVGSHSA-N 1 0 714.691 3.044 1 0 KGAFRO C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1cccs1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717923 562040071 /nfs/dbraw/zinc/04/00/71/562040071.db2.gz XYPIYAMNGMADEW-GCCWUPBUSA-N 1 0 714.763 3.233 1 0 KGAFRO C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1cccs1)C(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717926 562040131 /nfs/dbraw/zinc/04/01/31/562040131.db2.gz XYPIYAMNGMADEW-KWTBFXGESA-N 1 0 714.763 3.233 1 0 KGAFRO C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717956 562040218 /nfs/dbraw/zinc/04/02/18/562040218.db2.gz KLTHRFBUGAHCDB-NUZLPUNMSA-N 1 0 708.734 3.172 1 0 KGAFRO C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1)C(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717958 562040220 /nfs/dbraw/zinc/04/02/20/562040220.db2.gz KLTHRFBUGAHCDB-GSEMILKTSA-N 1 0 708.734 3.172 1 0 KGAFRO C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717960 562040191 /nfs/dbraw/zinc/04/01/91/562040191.db2.gz BXSDRFZOPSIGSI-RWIFEVTBSA-N 1 0 722.761 3.313 1 0 KGAFRO C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@H](Cc1ccc(NC(N)=[NH2+])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000034717962 562040214 /nfs/dbraw/zinc/04/02/14/562040214.db2.gz BXSDRFZOPSIGSI-IFDYJGHISA-N 1 0 722.761 3.313 1 0 KGAFRO CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801567 562041137 /nfs/dbraw/zinc/04/11/37/562041137.db2.gz JNPBFUYIIHKFLC-DEOSSOPVSA-N 1 0 527.643 3.360 1 0 KGAFRO CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801570 562041116 /nfs/dbraw/zinc/04/11/16/562041116.db2.gz ZMSCROSNCXBMOP-QHCPKHFHSA-N 1 0 513.616 3.114 1 0 KGAFRO CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801574 562041247 /nfs/dbraw/zinc/04/12/47/562041247.db2.gz BPRFXQUBSPXGEH-QHCPKHFHSA-N 1 0 529.615 3.333 1 0 KGAFRO CC(C)NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801583 562041188 /nfs/dbraw/zinc/04/11/88/562041188.db2.gz GCDVNVPWCPMBAU-DEOSSOPVSA-N 1 0 542.658 3.295 1 0 KGAFRO CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000034801588 562041196 /nfs/dbraw/zinc/04/11/96/562041196.db2.gz XSKNMWQZATUMBK-DEOSSOPVSA-N 1 0 542.658 3.297 1 0 KGAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000034802111 562041731 /nfs/dbraw/zinc/04/17/31/562041731.db2.gz NKECRNQFOBAVDC-SVSXPMSYSA-N 1 0 608.783 3.480 1 0 KGAFRO O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1C[C@H](O)C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NCC1CC[NH2+]CC1 ZINC000034802113 562041740 /nfs/dbraw/zinc/04/17/40/562041740.db2.gz IPLIEWKYFXHNMH-SLGZMBILSA-N 1 0 608.783 3.480 1 0 KGAFRO COc1cc2c(cc1OCCC[NH+]1CCC(CO)CC1)ncnc2Nc1cc(CC(=O)Nc2cccc(O)c2)[nH]n1 ZINC000034802996 562042340 /nfs/dbraw/zinc/04/23/40/562042340.db2.gz NYKVYBKVQOVZIQ-UHFFFAOYSA-N 1 0 561.643 3.465 1 0 KGAFRO COc1cc2c(cc1OCCC[N@H+](C)CCO)ncnc2Nc1cc(CC(=O)Nc2cccc(F)c2)[nH]n1 ZINC000034803052 562042489 /nfs/dbraw/zinc/04/24/89/562042489.db2.gz RGCULYFIEIGHSJ-UHFFFAOYSA-N 1 0 523.569 3.118 1 0 KGAFRO CC(C)CNC(=O)[C@H](CCO)[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1 ZINC000034803883 562042822 /nfs/dbraw/zinc/04/28/22/562042822.db2.gz DGZGORIQGMCMGV-BECIOFCFSA-N 1 0 683.847 3.166 1 0 KGAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@H](C[NH2+][C@@H](C)C(=O)NC2CC2)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000034803892 562042783 /nfs/dbraw/zinc/04/27/83/562042783.db2.gz OKZQHKPYNKHJKC-BXOOBUKZSA-N 1 0 637.778 3.310 1 0 KGAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(C(=O)CCCc3ccccc3)CC2)n1 ZINC000034804046 562042904 /nfs/dbraw/zinc/04/29/04/562042904.db2.gz CNYPEKNJDIJAKV-SANMLTNESA-N 1 0 576.698 3.343 1 0 KGAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(C(=O)OCc3ccccc3)CC2)n1 ZINC000034804050 562042906 /nfs/dbraw/zinc/04/29/06/562042906.db2.gz FDBNTAMGXUQYQL-DEOSSOPVSA-N 1 0 564.643 3.131 1 0 KGAFRO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(CCCc3ccccc3)CC2)n1 ZINC000034804071 562042881 /nfs/dbraw/zinc/04/28/81/562042881.db2.gz MWDTYWNRQRBAGQ-SANMLTNESA-N 1 0 548.688 3.427 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)NCc4ccccc43)CC2)C1 ZINC000034804754 562043287 /nfs/dbraw/zinc/04/32/87/562043287.db2.gz WYSKAEXCXYHGLH-XMMPIXPASA-N 1 0 632.709 3.442 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)NCc4ccccc43)CC2)C1 ZINC000034804758 562043303 /nfs/dbraw/zinc/04/33/03/562043303.db2.gz WYSKAEXCXYHGLH-DEOSSOPVSA-N 1 0 632.709 3.442 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)NCc4ccccc43)CC2)C1 ZINC000034804774 562043337 /nfs/dbraw/zinc/04/33/37/562043337.db2.gz AFUFPTUEAKAICH-XMMPIXPASA-N 1 0 643.608 3.185 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)NCc4ccccc43)CC2)C1 ZINC000034804778 562043346 /nfs/dbraw/zinc/04/33/46/562043346.db2.gz AFUFPTUEAKAICH-DEOSSOPVSA-N 1 0 643.608 3.185 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804804 562043300 /nfs/dbraw/zinc/04/33/00/562043300.db2.gz AMSFCNUCSFWCJW-HSZRJFAPSA-N 1 0 633.693 3.138 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000034804808 562043280 /nfs/dbraw/zinc/04/32/80/562043280.db2.gz AMSFCNUCSFWCJW-QHCPKHFHSA-N 1 0 633.693 3.138 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@H](O)C[NH+]2CCC(N3c4ccccc4COCC3=O)CC2)C1 ZINC000034804918 562043425 /nfs/dbraw/zinc/04/34/25/562043425.db2.gz LYFKQHVCRNURSR-RUZDIDTESA-N 1 0 647.720 3.275 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3c4ccccc4COCC3=O)CC2)C1 ZINC000034804922 562043516 /nfs/dbraw/zinc/04/35/16/562043516.db2.gz LYFKQHVCRNURSR-VWLOTQADSA-N 1 0 647.720 3.275 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)CCc4ccccc43)CC2)C1 ZINC000034804942 562043645 /nfs/dbraw/zinc/04/36/45/562043645.db2.gz ZGOIFGITJRFQKU-VWLOTQADSA-N 1 0 642.620 3.435 1 0 KGAFRO CC[NH+](CC)CCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1ccccc1 ZINC000034873426 562043727 /nfs/dbraw/zinc/04/37/27/562043727.db2.gz UGUFEFMMJARSLS-UHFFFAOYSA-N 1 0 528.719 3.247 1 0 KGAFRO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(C2)OC(=O)N(CC)C3=O)CC1 ZINC000034946610 562044096 /nfs/dbraw/zinc/04/40/96/562044096.db2.gz CBCXHQRDLMXWEC-AREMUKBSSA-N 1 0 527.647 3.481 1 0 KGAFRO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(C2)OC(=O)N(CC)C3=O)CC1 ZINC000034946612 562044090 /nfs/dbraw/zinc/04/40/90/562044090.db2.gz CBCXHQRDLMXWEC-SANMLTNESA-N 1 0 527.647 3.481 1 0 KGAFRO CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000035242550 562044809 /nfs/dbraw/zinc/04/48/09/562044809.db2.gz PDIBBCTZVFJGTC-UHFFFAOYSA-N 1 0 500.665 3.190 1 0 KGAFRO Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)CCC[NH3+])CC2)c2ccccc12 ZINC000035242680 562044940 /nfs/dbraw/zinc/04/49/40/562044940.db2.gz BIHPECKMBHQEHU-UHFFFAOYSA-N 1 0 508.644 3.409 1 0 KGAFRO Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)c2ccccc12 ZINC000035242682 562044984 /nfs/dbraw/zinc/04/49/84/562044984.db2.gz GKEJTJFRAKDFAV-VWLOTQADSA-N 1 0 520.655 3.422 1 0 KGAFRO CC(C)[NH+]1CCC(Oc2ccc3c(cc(C(=O)N4CCS(=O)(=O)CC4)n3CC(F)(F)F)c2)CC1 ZINC000035261426 562044947 /nfs/dbraw/zinc/04/49/47/562044947.db2.gz LBUFUUDCYSRUFS-UHFFFAOYSA-N 1 0 501.571 3.326 1 0 KGAFRO CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)C[NH2+]CC2CCOCC2)cn1 ZINC000035261594 562044985 /nfs/dbraw/zinc/04/49/85/562044985.db2.gz DJJNHFXUJZZRIH-QFIPXVFZSA-N 1 0 505.610 3.379 1 0 KGAFRO Cc1cc(N2CC[N@H+](Cc3ccccc3)[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C2)nc(-n2ccnc2)n1 ZINC000035272743 562044932 /nfs/dbraw/zinc/04/49/32/562044932.db2.gz DVUZLCFDNOGYKM-XMMPIXPASA-N 1 0 525.613 3.097 1 0 KGAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1cccc(Cl)c1 ZINC000035803148 562045335 /nfs/dbraw/zinc/04/53/35/562045335.db2.gz PSBZFHDZIVDNLF-UBFVSLLYSA-N 1 0 521.079 3.015 1 0 KGAFRO C[NH2+]Cc1ccc(C(=O)Nc2ncc(Sc3cc(C(=O)N4CCOCC4)c(OC)cc3C)s2)[nH]1 ZINC000036184866 562050544 /nfs/dbraw/zinc/05/05/44/562050544.db2.gz KBIXYYWXSZPVEV-UHFFFAOYSA-N 1 0 501.634 3.384 1 0 KGAFRO COc1ccccc1N1CC[NH+](CCCCN2C(=O)C[C@@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 ZINC000036187827 562050914 /nfs/dbraw/zinc/05/09/14/562050914.db2.gz QJZONTFPLHEGKF-QKVJFSOCSA-N 1 0 522.690 3.058 1 0 KGAFRO CC(=O)NCCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C)C(=O)Nc1ccccc1 ZINC000036216327 562051320 /nfs/dbraw/zinc/05/13/20/562051320.db2.gz VCTWEJIUVCJXEY-CPCREDONSA-N 1 0 613.759 3.262 1 0 in-vivo KGAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)Cc2cccs2)CC1 ZINC000036284870 562053450 /nfs/dbraw/zinc/05/34/50/562053450.db2.gz YOTZKWUXYMZEMJ-XMMPIXPASA-N 1 0 603.576 3.034 1 0 KGAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)NCc2cccs2)CC1 ZINC000036284907 562053518 /nfs/dbraw/zinc/05/35/18/562053518.db2.gz SICAXKZLNAOVKP-XMMPIXPASA-N 1 0 618.591 3.174 1 0 KGAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)NCc2ccccc2F)CC1 ZINC000036285065 562053778 /nfs/dbraw/zinc/05/37/78/562053778.db2.gz GCMFPQXOGYRIAS-AREMUKBSSA-N 1 0 630.552 3.252 1 0 KGAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)c2ccc(F)cc2)CC1 ZINC000036285075 562053801 /nfs/dbraw/zinc/05/38/01/562053801.db2.gz HVWSBURCPCKLID-RUZDIDTESA-N 1 0 601.510 3.182 1 0 KGAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)c2ccccc2)CC1 ZINC000036285079 562053767 /nfs/dbraw/zinc/05/37/67/562053767.db2.gz AHEQLHPQBXIPCC-RUZDIDTESA-N 1 0 583.520 3.043 1 0 KGAFRO COc1ccc(C(=O)NCc2cccnc2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)NC(=O)CC[NH3+])CC2)cc1 ZINC000036285082 562053829 /nfs/dbraw/zinc/05/38/29/562053829.db2.gz PTTWOILYAVBIIN-AREMUKBSSA-N 1 0 613.546 3.052 1 0 KGAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)Cc2ccccc2F)CC1 ZINC000036285086 562053825 /nfs/dbraw/zinc/05/38/25/562053825.db2.gz IIPUJCASDPYREK-AREMUKBSSA-N 1 0 615.537 3.111 1 0 KGAFRO COc1ccccc1NC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000036285094 562053752 /nfs/dbraw/zinc/05/37/52/562053752.db2.gz MMLZRENQCJKARS-RUZDIDTESA-N 1 0 628.561 3.444 1 0 KGAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)Cc2ccc(F)cc2)CC1 ZINC000036285111 562053797 /nfs/dbraw/zinc/05/37/97/562053797.db2.gz JRLOAHAQAQANCO-AREMUKBSSA-N 1 0 615.537 3.111 1 0 KGAFRO COc1ccccc1OC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000036285114 562053815 /nfs/dbraw/zinc/05/38/15/562053815.db2.gz PISMAVKUPUJDLD-XMMPIXPASA-N 1 0 629.545 3.411 1 0 KGAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)c2cccs2)CC1 ZINC000036285119 562053734 /nfs/dbraw/zinc/05/37/34/562053734.db2.gz NTIKLNSRMASDHD-JOCHJYFZSA-N 1 0 589.549 3.105 1 0 KGAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)Oc2ccccc2)CC1 ZINC000036285143 562053756 /nfs/dbraw/zinc/05/37/56/562053756.db2.gz ZGYKINMMRXJZKY-RUZDIDTESA-N 1 0 599.519 3.402 1 0 KGAFRO [NH3+]CCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncccc2CNC(=O)Nc2ccccc2)CC1 ZINC000036285189 562053983 /nfs/dbraw/zinc/05/39/83/562053983.db2.gz OPEAJKHCEYMQQC-RUZDIDTESA-N 1 0 598.535 3.435 1 0 KGAFRO CNS(=O)(=O)c1ccc2c(c1)C[C@H](N(CCCN1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000036351899 562059419 /nfs/dbraw/zinc/05/94/19/562059419.db2.gz VXQKYBXFTGJBGX-JOCHJYFZSA-N 1 0 552.116 3.416 1 0 KGAFRO CNS(=O)(=O)c1ccc2c(c1)C[C@@H](N(CCCN1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000036351900 562059284 /nfs/dbraw/zinc/05/92/84/562059284.db2.gz VXQKYBXFTGJBGX-QFIPXVFZSA-N 1 0 552.116 3.416 1 0 KGAFRO CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@H]([NH3+])Cc1ccc(F)cc1 ZINC000036415068 562060534 /nfs/dbraw/zinc/06/05/34/562060534.db2.gz FBIBREHNRFMLIZ-PVHODMMVSA-N 1 0 518.633 3.046 1 0 KGAFRO CO[C@H]1CCN(C(=O)c2ccc(O)cc2OC[C@@H](O)C[NH+]2CCC3(Cc4cc(Cl)ccc4O3)CC2)C1 ZINC000036419464 562060654 /nfs/dbraw/zinc/06/06/54/562060654.db2.gz VVWQJGJQEXWAGD-VXKWHMMOSA-N 1 0 517.022 3.116 1 0 KGAFRO CC(C)C[C@H](NC(=O)N[C@@H](C)c1ccc(Br)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)C(C)C ZINC000037868461 562062505 /nfs/dbraw/zinc/06/25/05/562062505.db2.gz GPZZZKGHNBJWKG-QGQQZZQASA-N 1 0 679.686 3.452 1 0 KGAFRO CC(C)C[C@H](NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)C(C)C ZINC000037868462 562062483 /nfs/dbraw/zinc/06/24/83/562062483.db2.gz GPZZZKGHNBJWKG-PVSGBFIBSA-N 1 0 679.686 3.452 1 0 KGAFRO CCN1CCS/C1=C/C=c1\s/c(=C/c2sc3c(ccc4ccccc34)[n+]2CCO)n(CC)c1=O ZINC000038146399 562065214 /nfs/dbraw/zinc/06/52/14/562065214.db2.gz FTXGCIHWFSLQPW-IINORCHSSA-N 1 0 510.730 3.097 1 0 KGAFRO COc1c2c(c(O)c3ncccc31)C(=O)N(Cc1ccc(F)cc1)[C@H]2SCCC(=O)N1CC[NH2+]CC1 ZINC000038147689 562065612 /nfs/dbraw/zinc/06/56/12/562065612.db2.gz QKFIQHKUTOTSKK-SANMLTNESA-N 1 0 510.591 3.298 1 0 KGAFRO COc1c2c(c(O)c3ncccc31)C(=O)N(Cc1ccc(F)cc1)[C@@H]2SCCC(=O)N1CC[NH2+]CC1 ZINC000038147690 562065605 /nfs/dbraw/zinc/06/56/05/562065605.db2.gz QKFIQHKUTOTSKK-AREMUKBSSA-N 1 0 510.591 3.298 1 0 KGAFRO COc1cccc2cc(C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NCc3ccc(C(F)(F)F)cc3)oc21 ZINC000038149853 562066317 /nfs/dbraw/zinc/06/63/17/562066317.db2.gz CJPYBFNPFUDPAW-QGZVFWFLSA-N 1 0 505.497 3.138 1 0 KGAFRO CCCn1c(=O)[nH]c2cccc(OC[C@@H](O)C[NH2+]C(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 ZINC000038151184 562066851 /nfs/dbraw/zinc/06/68/51/562066851.db2.gz BHDFOPDSNPFXBU-NRFANRHFSA-N 1 0 533.629 3.376 1 0 KGAFRO CC(C)S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)C1 ZINC000038155325 562067957 /nfs/dbraw/zinc/06/79/57/562067957.db2.gz NZILHJXIEFUDNZ-HXABMTEBSA-N 1 0 619.829 3.162 1 0 KGAFRO CC(C)S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)[C@@H](C)c2c[nH]c3ccccc32)C1 ZINC000038155326 562067954 /nfs/dbraw/zinc/06/79/54/562067954.db2.gz NZILHJXIEFUDNZ-RGXZNCPUSA-N 1 0 619.829 3.162 1 0 KGAFRO Cc1ccc(C[NH2+]C[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C2(O)CCCC2)c(C)c1 ZINC000038384616 562071697 /nfs/dbraw/zinc/07/16/97/562071697.db2.gz QFLAMIXVPDNZNV-QFIPXVFZSA-N 1 0 506.569 3.214 1 0 KGAFRO CCC(O)(CC)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N ZINC000038456550 562072082 /nfs/dbraw/zinc/07/20/82/562072082.db2.gz ZDOFYNXQSVARQS-QFIPXVFZSA-N 1 0 508.585 3.460 1 0 KGAFRO Nc1cc(C[NH+]2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(CC5CC5)c4=O)CC3)CC2)ccn1 ZINC000038853252 562072461 /nfs/dbraw/zinc/07/24/61/562072461.db2.gz KARTZJAENYQGIZ-UHFFFAOYSA-N 1 0 506.626 3.405 1 0 KGAFRO COc1cc(F)c2ncc(Cl)c([C@H](O)CN3CCC([NH2+]Cc4ccc5c(n4)NC(=O)CO5)CC3)c2c1 ZINC000038855508 562072445 /nfs/dbraw/zinc/07/24/45/562072445.db2.gz ZBYBPESOOVECRJ-HXUWFJFHSA-N 1 0 515.973 3.049 1 0 KGAFRO COc1cc(F)c2ncc(Cl)c([C@@H](O)CN3CCC([NH2+]Cc4ccc5c(n4)NC(=O)CO5)CC3)c2c1 ZINC000038855510 562072431 /nfs/dbraw/zinc/07/24/31/562072431.db2.gz ZBYBPESOOVECRJ-FQEVSTJZSA-N 1 0 515.973 3.049 1 0 KGAFRO CS(=O)(=O)c1ccc(C[NH2+]C2CCN(c3c[nH]nc3-c3cc(Br)c(O)cc3O)CC2)cc1 ZINC000038945857 562072574 /nfs/dbraw/zinc/07/25/74/562072574.db2.gz LZXCWIJGZCWQNU-UHFFFAOYSA-N 1 0 521.437 3.413 1 0 KGAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OC)c1)cc3N(C)S(=O)(=O)CC2 ZINC000038998652 562072713 /nfs/dbraw/zinc/07/27/13/562072713.db2.gz MNGUVHPNHVMEDL-MFMCTBQISA-N 1 0 590.746 3.484 1 0 in-vitro KGAFRO CC(C)C[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH3+])CC1 ZINC000040380099 562073445 /nfs/dbraw/zinc/07/34/45/562073445.db2.gz SDIJSIKQAJHHJU-VWNXMTODSA-N 1 0 521.489 3.408 1 0 KGAFRO CCC(O)(CC)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH3+])CC1 ZINC000040380108 562073428 /nfs/dbraw/zinc/07/34/28/562073428.db2.gz YXBPAZPUDWIISH-JOCHJYFZSA-N 1 0 521.489 3.336 1 0 KGAFRO CC(C)C[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)C[NH3+])CC1 ZINC000040380335 562073442 /nfs/dbraw/zinc/07/34/42/562073442.db2.gz SDIJSIKQAJHHJU-ISKFKSNPSA-N 1 0 521.489 3.408 1 0 KGAFRO CC[N@H+](CCNc1ccnc2cc(Cl)ccc21)CCNS(=O)(=O)c1ccc2c(c1)OCCN2C ZINC000040393097 562073911 /nfs/dbraw/zinc/07/39/11/562073911.db2.gz IBUNFWNZRSLFKU-UHFFFAOYSA-N 1 0 504.056 3.429 1 0 KGAFRO CCOC(=O)[C@H](C(=O)Nc1ccc2c(c1)O[C@H](OCc1ccc(C(N)=[NH2+])cc1)C(=O)N2C)c1ccccc1 ZINC000040393894 562074091 /nfs/dbraw/zinc/07/40/91/562074091.db2.gz ICIKGKFLXMVVPA-FIPFOOKPSA-N 1 0 516.554 3.154 1 0 KGAFRO CCOC(=O)[C@@H](C(=O)Nc1ccc2c(c1)O[C@H](OCc1ccc(C(N)=[NH2+])cc1)C(=O)N2C)c1ccccc1 ZINC000040393896 562074130 /nfs/dbraw/zinc/07/41/30/562074130.db2.gz ICIKGKFLXMVVPA-LXFBAYGMSA-N 1 0 516.554 3.154 1 0 KGAFRO [NH2+]=C(c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCS(=O)(=O)CC1 ZINC000040394848 562074336 /nfs/dbraw/zinc/07/43/36/562074336.db2.gz JQWPVEAYMTUSRV-UHFFFAOYSA-N 1 0 511.991 3.295 1 0 KGAFRO CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@H](Cc1ccc(C(N)=[NH2+])cc1)C(=O)N2C ZINC000040401114 562074592 /nfs/dbraw/zinc/07/45/92/562074592.db2.gz DZCOUWHIWPGGDX-XMMPIXPASA-N 1 0 500.555 3.033 1 0 KGAFRO CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@@H](Cc1ccc(C(N)=[NH2+])cc1)C(=O)N2C ZINC000040401117 562074570 /nfs/dbraw/zinc/07/45/70/562074570.db2.gz DZCOUWHIWPGGDX-DEOSSOPVSA-N 1 0 500.555 3.033 1 0 KGAFRO COc1cc(Nc2nc(N[C@@H]3CCCC[C@H]3[NH3+])n3nc(-c4cccc(O)c4)nc3c2C(N)=O)cc(OC)c1 ZINC000040402278 562074725 /nfs/dbraw/zinc/07/47/25/562074725.db2.gz JQVIBYQWWUOARA-WOJBJXKFSA-N 1 0 518.578 3.038 1 0 KGAFRO CNS(=O)(=O)c1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1 ZINC000040409204 562075183 /nfs/dbraw/zinc/07/51/83/562075183.db2.gz CSADUEMBOBFXBI-SANMLTNESA-N 1 0 508.681 3.016 1 0 KGAFRO C[NH+]1CCN(c2ccc(Nc3ccc4c(c3)N(c3nc5c(s3)C(=O)NC(C)(C)C5)CCO4)nn2)CC1 ZINC000040423448 562076174 /nfs/dbraw/zinc/07/61/74/562076174.db2.gz SLVOAUDZJJTTLJ-UHFFFAOYSA-N 1 0 506.636 3.024 1 0 KGAFRO C[NH+]1CCC(N2CCN(C(=O)C3CCN(C(=O)c4nc5ccccc5n4Cc4ccccc4)CC3)CC2)CC1 ZINC000040423481 562076130 /nfs/dbraw/zinc/07/61/30/562076130.db2.gz ZBCHGVJFUSYOMJ-UHFFFAOYSA-N 1 0 528.701 3.175 1 0 KGAFRO COc1ccc(OC)c(/C=C/C(=O)NC2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1 ZINC000040423980 562076321 /nfs/dbraw/zinc/07/63/21/562076321.db2.gz CEVLVQJBAWGVRE-QPJJXVBHSA-N 1 0 518.010 3.399 1 0 KGAFRO C[NH+]1CCN(c2ccc3[nH]c(-c4c(N)c5cc(C(=O)NCc6ccccc6)ccc5[nH]c4=O)nc3c2)CC1 ZINC000040429095 562076597 /nfs/dbraw/zinc/07/65/97/562076597.db2.gz ZJQHYAYIOMPFGN-UHFFFAOYSA-N 1 0 507.598 3.335 1 0 KGAFRO CS(=O)(=O)c1ccc([C@]2(O)CCCC[C@@H]2[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccc(F)cc2)cc1 ZINC000040567785 562078196 /nfs/dbraw/zinc/07/81/96/562078196.db2.gz WDQQGNUJUAWECX-NLJOTIRTSA-N 1 0 500.636 3.355 1 0 KGAFRO CS(=O)(=O)c1ccc([C@]2(O)CCCC[C@H]2[NH+]2CCC3(CC2)C(=O)NC[C@H]3c2ccc(F)cc2)cc1 ZINC000040567789 562078187 /nfs/dbraw/zinc/07/81/87/562078187.db2.gz WDQQGNUJUAWECX-CLCZQPDDSA-N 1 0 500.636 3.355 1 0 KGAFRO CO[C@]1(C)CC[N@@H+]2C[C@@]34C[C@@]5(c6ccc7c(c6NC5=O)OC=CC(C)(C)O7)C(C)(C)[C@H]3C[C@]21C(=O)N4C ZINC000040651425 562078850 /nfs/dbraw/zinc/07/88/50/562078850.db2.gz GJJQYFDKLNVNHI-XHUOMKRRSA-N 1 0 507.631 3.450 1 0 KGAFRO CC(C)(C[NH3+])C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000040801472 562079835 /nfs/dbraw/zinc/07/98/35/562079835.db2.gz IBMCSTCRGUFNEF-XMMPIXPASA-N 1 0 509.614 3.483 1 0 KGAFRO COc1ccc(CC[NH2+]C[C@H](O)COc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1OC ZINC000040861087 562080697 /nfs/dbraw/zinc/08/06/97/562080697.db2.gz XATOVBPRRGWFHK-QHCPKHFHSA-N 1 0 526.655 3.417 1 0 KGAFRO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1OC ZINC000040861089 562080707 /nfs/dbraw/zinc/08/07/07/562080707.db2.gz XATOVBPRRGWFHK-HSZRJFAPSA-N 1 0 526.655 3.417 1 0 KGAFRO CCOC(=O)CN(C(=O)c1ccc2c(c1)O[C@H](OCc1ccc(C(N)=[NH2+])cc1)C(=O)N2C)c1ccccc1 ZINC000040865027 562081143 /nfs/dbraw/zinc/08/11/43/562081143.db2.gz ZAFQXFCKRWUKCR-NDEPHWFRSA-N 1 0 516.554 3.079 1 0 KGAFRO CCOC(=O)CN(C(=O)c1ccc2c(c1)O[C@@H](OCc1ccc(C(N)=[NH2+])cc1)C(=O)N2C)c1ccccc1 ZINC000040865030 562081129 /nfs/dbraw/zinc/08/11/29/562081129.db2.gz ZAFQXFCKRWUKCR-MUUNZHRXSA-N 1 0 516.554 3.079 1 0 KGAFRO COC(=O)CC(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@H](Cc1ccc(C(N)=[NH2+])cc1)C(=O)N2C ZINC000040891917 562082703 /nfs/dbraw/zinc/08/27/03/562082703.db2.gz RSVVNSOLZBKIHK-XMMPIXPASA-N 1 0 500.555 3.033 1 0 KGAFRO COC(=O)CC(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@@H](Cc1ccc(C(N)=[NH2+])cc1)C(=O)N2C ZINC000040891919 562082740 /nfs/dbraw/zinc/08/27/40/562082740.db2.gz RSVVNSOLZBKIHK-DEOSSOPVSA-N 1 0 500.555 3.033 1 0 KGAFRO CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1 ZINC000040914228 562083775 /nfs/dbraw/zinc/08/37/75/562083775.db2.gz UVXVHCDZVYUCCX-MHZLTWQESA-N 1 0 522.708 3.358 1 0 KGAFRO CC(=O)O[C@]12C=C(C)[C@H]([C@H]3C(=O)N(OCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)C(=O)[C@@H]31)[C@H](C)C2 ZINC000040914796 562083875 /nfs/dbraw/zinc/08/38/75/562083875.db2.gz UDRTUFZNVUDRLU-AUWCISTISA-N 1 0 516.038 3.303 1 0 KGAFRO COc1ccccc1/C=C/C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000040914975 562083925 /nfs/dbraw/zinc/08/39/25/562083925.db2.gz FNPUPASPXRTPGG-PILMVFDPSA-N 1 0 502.611 3.163 1 0 KGAFRO C[C@@H]1CN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(I)cc43)cc2)CC[N@@H+]1C ZINC000040918017 562084220 /nfs/dbraw/zinc/08/42/20/562084220.db2.gz MPTJTMKHNHBQCF-FAPYRAKZSA-N 1 0 502.356 3.155 1 0 KGAFRO C[C@H]1CN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(I)cc43)cc2)CC[N@@H+]1C ZINC000040918018 562084242 /nfs/dbraw/zinc/08/42/42/562084242.db2.gz MPTJTMKHNHBQCF-GQFJFNLSSA-N 1 0 502.356 3.155 1 0 KGAFRO COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3[NH3+])n3c(-c4ccccc4)nnc3c2C(N)=O)cc(OC)c1 ZINC000040918943 562084471 /nfs/dbraw/zinc/08/44/71/562084471.db2.gz JTSSFGDEGJQWBU-UXHICEINSA-N 1 0 502.579 3.333 1 0 KGAFRO CC(=O)Nc1ccc(CN[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040933974 562084772 /nfs/dbraw/zinc/08/47/72/562084772.db2.gz GXMWJFIHTJCCIL-TZRRMPRUSA-N 1 0 533.595 3.151 1 0 KGAFRO CC(=O)Nc1ccc(CN[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040933976 562084760 /nfs/dbraw/zinc/08/47/60/562084760.db2.gz GXMWJFIHTJCCIL-KMDXXIMOSA-N 1 0 533.595 3.151 1 0 KGAFRO COc1ccc(CN[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040935688 562084993 /nfs/dbraw/zinc/08/49/93/562084993.db2.gz IUSFFNDPSOJVFY-AKIFATBCSA-N 1 0 506.569 3.201 1 0 KGAFRO COc1ccc(CN[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040935690 562085000 /nfs/dbraw/zinc/08/50/00/562085000.db2.gz IUSFFNDPSOJVFY-ACIOBRDBSA-N 1 0 506.569 3.201 1 0 KGAFRO COc1ccc(CN[C@@H]2C[C@H]([NH+](C)C)CC[C@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040935692 562085148 /nfs/dbraw/zinc/08/51/48/562085148.db2.gz IUSFFNDPSOJVFY-YMPZKCBVSA-N 1 0 506.569 3.201 1 0 KGAFRO COc1ccc(CN[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040935694 562085130 /nfs/dbraw/zinc/08/51/30/562085130.db2.gz IUSFFNDPSOJVFY-MDNUFGMLSA-N 1 0 506.569 3.201 1 0 KGAFRO C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc(N2CC[NH+](C)CC2)c1 ZINC000040935797 562085093 /nfs/dbraw/zinc/08/50/93/562085093.db2.gz PFQSNLMKOAZFJQ-QGZVFWFLSA-N 1 0 500.562 3.496 1 0 KGAFRO C[C@@H]1CN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(I)cc43)cc2)C[C@H](C)[NH2+]1 ZINC000040937662 562085340 /nfs/dbraw/zinc/08/53/40/562085340.db2.gz ZIVLFDMMNBLLLE-XVWIAEIPSA-N 1 0 502.356 3.201 1 0 KGAFRO CCCN(CC(=O)N1CCN(C2CC[NH+](C)CC2)CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1 ZINC000040949303 562085859 /nfs/dbraw/zinc/08/58/59/562085859.db2.gz ZCMVVJGHNMLLND-UHFFFAOYSA-N 1 0 516.690 3.175 1 0 KGAFRO CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)C[NH2+]CCc4ccccc4)ccc3CC[C@H]2O)cc1 ZINC000040951358 562086036 /nfs/dbraw/zinc/08/60/36/562086036.db2.gz VPYMZNLXXIHQCU-IXCJQBJRSA-N 1 0 507.656 3.347 1 0 KGAFRO CC(C)N(CC(=O)N1CCN(C2CC[NH+](C)CC2)CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1 ZINC000040952472 562086304 /nfs/dbraw/zinc/08/63/04/562086304.db2.gz OPQMHLKQNNIKBF-UHFFFAOYSA-N 1 0 516.690 3.174 1 0 KGAFRO CSc1ccc(C[NH2+][C@H]2CCN(C(C)=O)C[C@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040953706 562086312 /nfs/dbraw/zinc/08/63/12/562086312.db2.gz JZPMYTFIIOECOU-FCHUYYIVSA-N 1 0 522.593 3.053 1 0 KGAFRO CSc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040953708 562086328 /nfs/dbraw/zinc/08/63/28/562086328.db2.gz JZPMYTFIIOECOU-FGZHOGPDSA-N 1 0 522.593 3.053 1 0 KGAFRO CSc1ccc(C[NH2+][C@H]2CCN(C(C)=O)C[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040953710 562086421 /nfs/dbraw/zinc/08/64/21/562086421.db2.gz JZPMYTFIIOECOU-VXKWHMMOSA-N 1 0 522.593 3.053 1 0 KGAFRO CSc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000040953712 562086444 /nfs/dbraw/zinc/08/64/44/562086444.db2.gz JZPMYTFIIOECOU-YADHBBJMSA-N 1 0 522.593 3.053 1 0 KGAFRO CC(C)(O)Cn1c(NC(=O)c2ccc(-c3cn[nH]c3)s2)nc2cc(C[N@@H+]3CCCC[C@@H]3CO)ccc21 ZINC000040957330 562086688 /nfs/dbraw/zinc/08/66/88/562086688.db2.gz KMBKOQFKVOAXOC-LJQANCHMSA-N 1 0 508.648 3.858 1 0 KGAFRO CC(C)(O)Cn1c(NC(=O)c2ccc(-c3cn[nH]c3)s2)nc2cc(C[N@@H+]3CCCC[C@H]3CO)ccc21 ZINC000040957333 562086720 /nfs/dbraw/zinc/08/67/20/562086720.db2.gz KMBKOQFKVOAXOC-IBGZPJMESA-N 1 0 508.648 3.858 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCCc2ccc(C3=[NH+]CCN3)cc2)cc1 ZINC000040973131 562086969 /nfs/dbraw/zinc/08/69/69/562086969.db2.gz ROUDJZMKYQIIJM-MHZLTWQESA-N 1 0 516.667 3.382 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCCc2ccc(C3=[NH+]CCN3)cc2)cc1 ZINC000040973133 562086937 /nfs/dbraw/zinc/08/69/37/562086937.db2.gz ROUDJZMKYQIIJM-HHHXNRCGSA-N 1 0 516.667 3.382 1 0 KGAFRO COc1cc2c(cc1OC)[C@H](CC(=O)NCCCCCC[NH3+])N(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000040976687 562087310 /nfs/dbraw/zinc/08/73/10/562087310.db2.gz CLHRVZPDIUCNJO-QHCPKHFHSA-N 1 0 503.665 3.326 1 0 KGAFRO COc1cc2c(cc1OC)[C@@H](CC(=O)NCCCCCC[NH3+])N(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000040976689 562087317 /nfs/dbraw/zinc/08/73/17/562087317.db2.gz CLHRVZPDIUCNJO-HSZRJFAPSA-N 1 0 503.665 3.326 1 0 KGAFRO CCCN1CC[C@H]([NH2+]Cc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 ZINC000042802760 562087841 /nfs/dbraw/zinc/08/78/41/562087841.db2.gz DTVGIALKWCQVQS-XZOQPEGZSA-N 1 0 537.652 3.498 1 0 KGAFRO CCCN1CC[C@@H]([NH2+]Cc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 ZINC000042802765 562087853 /nfs/dbraw/zinc/08/78/53/562087853.db2.gz DTVGIALKWCQVQS-DHIUTWEWSA-N 1 0 537.652 3.498 1 0 KGAFRO O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@H]1C[NH+]1CCCC1 ZINC000042803776 562088476 /nfs/dbraw/zinc/08/84/76/562088476.db2.gz LSUOAEBJTSMGRB-LJQANCHMSA-N 1 0 587.020 3.264 1 0 KGAFRO O=C(Cn1c(=O)oc2ccc(Cl)cc21)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1C[NH+]1CCCC1 ZINC000042803781 562088427 /nfs/dbraw/zinc/08/84/27/562088427.db2.gz LSUOAEBJTSMGRB-IBGZPJMESA-N 1 0 587.020 3.264 1 0 KGAFRO CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000042804185 562088633 /nfs/dbraw/zinc/08/86/33/562088633.db2.gz XKCJLNBEKXPHNT-SQHAQQRYSA-N 1 0 546.624 3.398 1 0 KGAFRO NC(=[NH2+])NCCC[C@@H]1NC(=O)c2cccc3c(Nc4ccccc4)cc(nc23)-c2ccc(cc2)C/C=C\C[C@@H](C(N)=O)NC1=O ZINC000042804643 562088862 /nfs/dbraw/zinc/08/88/62/562088862.db2.gz MNUVTPNXWNAOHI-HZYNCFBMSA-N 1 0 604.715 3.480 1 0 KGAFRO CSc1c2sc(C3=C(C(=O)[O-])N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)c[n+]2cn1Cc1cccc(C[n+]2ccccc2)c1 ZINC000042804667 562088880 /nfs/dbraw/zinc/08/88/80/562088880.db2.gz CTRGLQQKKPTZOZ-ZERDBPEESA-O 1 0 562.717 3.048 1 0 KGAFRO CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000042806153 562089424 /nfs/dbraw/zinc/08/94/24/562089424.db2.gz MUCJBMLSOAIPBH-ORYMTKCHSA-N 1 0 628.770 3.050 1 0 in-vivo KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H]1Cc2c([nH]c3ccccc32)CN(CC(=O)OCc2ccccc2)C1=O ZINC000042806269 562089481 /nfs/dbraw/zinc/08/94/81/562089481.db2.gz BGOKTINXYLZNSY-XCZPVHLTSA-N 1 0 554.647 3.173 1 0 KGAFRO COc1cc2c(cc1Nc1nc3[nH]ccc3c(Nc3cccc(F)c3C(N)=O)n1)N(C(=O)CCN1CCOCC1)CC2 ZINC000042834064 581097407 /nfs/dbraw/zinc/09/74/07/581097407.db2.gz VEKQRWMLMKCRSW-UHFFFAOYSA-N 1 0 574.617 3.303 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O ZINC000042852126 581095739 /nfs/dbraw/zinc/09/57/39/581095739.db2.gz DKSXMHRSKSOZAT-MPPVSAIVSA-N 1 0 510.638 3.273 1 0 KGAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OC)c1)cc3N(C)S(=O)(=O)C2 ZINC000042921776 581091795 /nfs/dbraw/zinc/09/17/95/581091795.db2.gz BIFXFADRRVXKMW-LMSSTIIKSA-N 1 0 576.719 3.441 1 0 KGAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@@H](C)CC)cc3N(C)S(=O)(=O)CC2 ZINC000043022583 562644976 /nfs/dbraw/zinc/64/49/76/562644976.db2.gz WSZHJFHSCUWOJZ-VFHOHQAYSA-N 1 0 526.703 3.073 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C)C(=O)c1nc2ccccc2[nH]1 ZINC000043023088 562644964 /nfs/dbraw/zinc/64/49/64/562644964.db2.gz OEZKDFBBWQUWLW-SZJUTTIESA-N 1 0 539.636 3.096 1 0 KGAFRO CNC(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4cccnc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000043062884 562645235 /nfs/dbraw/zinc/64/52/35/562645235.db2.gz YWWSGKYAMVMIMB-UHFFFAOYSA-N 1 0 527.633 3.313 1 0 KGAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCC(F)(F)F)cc2c1CCCS(=O)(=O)N2C ZINC000043066708 562645418 /nfs/dbraw/zinc/64/54/18/562645418.db2.gz CXEAEKCTSODPSS-LADGPHEKSA-N 1 0 556.651 3.075 1 0 KGAFRO CCn1cc2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCC(F)(F)F)cc3N(C)S(=O)(=O)CC2 ZINC000043073458 562645619 /nfs/dbraw/zinc/64/56/19/562645619.db2.gz BFPPEQNMYUIWBA-XUZZJYLKSA-N 1 0 566.646 3.227 1 0 KGAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 ZINC000043121932 562646203 /nfs/dbraw/zinc/64/62/03/562646203.db2.gz NEMXZEGROCPRLB-WUFINQPMSA-N 1 0 573.662 3.395 1 0 KGAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]CCC(F)(F)F)cc3N(C)S(=O)(=O)CC2 ZINC000043123453 562646269 /nfs/dbraw/zinc/64/62/69/562646269.db2.gz JBSIWTPPHNMPRR-LADGPHEKSA-N 1 0 566.646 3.227 1 0 KGAFRO C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCN(C=O)CC5)c4)ccc3F)c2)CC[NH2+]1 ZINC000043130375 562646316 /nfs/dbraw/zinc/64/63/16/562646316.db2.gz JUHGCPRCZJKVCB-DEOSSOPVSA-N 1 0 543.687 3.490 1 0 KGAFRO CC[C@H]1CN(c2nc(N)c(C(=O)NC)nc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000043131872 562646358 /nfs/dbraw/zinc/64/63/58/562646358.db2.gz MDFCAWQCJRVYFH-SFHVURJKSA-N 1 0 506.482 3.290 1 0 KGAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000043133343 562646364 /nfs/dbraw/zinc/64/63/64/562646364.db2.gz ZHUFUDYDQPNLAL-UBFVSLLYSA-N 1 0 554.631 3.381 1 0 KGAFRO CC[NH+](CC)CCN(CC[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(Cl)c1 ZINC000043152469 562646381 /nfs/dbraw/zinc/64/63/81/562646381.db2.gz GVWWLULWYPPLTA-DEOSSOPVSA-N 1 0 579.163 3.391 1 0 KGAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+](C)C)ncnc2Nc1ccc(Br)cc1F ZINC000043153184 562646427 /nfs/dbraw/zinc/64/64/27/562646427.db2.gz SOYOGGAXHRNJSO-UHFFFAOYSA-N 1 0 531.386 3.456 1 0 KGAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C ZINC000043172166 562646596 /nfs/dbraw/zinc/64/65/96/562646596.db2.gz JFRNFMQDZRWAQB-UHFFFAOYSA-N 1 0 507.639 3.168 1 0 KGAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(C3CC3)c2)C1)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC000043172262 562646617 /nfs/dbraw/zinc/64/66/17/562646617.db2.gz QKQMVRBOCXFUQB-HSZRJFAPSA-N 1 0 526.641 3.336 1 0 KGAFRO CNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CC(=O)N(C(C)C)C3=O)C2)CC1 ZINC000043197870 562646820 /nfs/dbraw/zinc/64/68/20/562646820.db2.gz ZCXWIKQRJVBEON-MHZLTWQESA-N 1 0 540.690 3.210 1 0 KGAFRO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](NC(=O)[C@H](CC3CCCC3)CN(O)C=O)C(C)(C)C)CC2)cc1 ZINC000043201735 562646886 /nfs/dbraw/zinc/64/68/86/562646886.db2.gz HTDZPEFRSMPDQX-ZEQKJWHPSA-N 1 0 530.710 3.351 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@H]21)C(C)(C)C ZINC000043203968 562647002 /nfs/dbraw/zinc/64/70/02/562647002.db2.gz BGWQMUKSEXDJIL-PCVPZPMISA-N 1 0 518.702 3.453 1 0 in-vitro KGAFRO CCC[N@H+](C)Cc1sc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc1C ZINC000043205442 562647027 /nfs/dbraw/zinc/64/70/27/562647027.db2.gz QCHMRKCTBQPCTD-FQEVSTJZSA-N 1 0 516.664 3.334 1 0 KGAFRO NC(=O)c1c[nH+]c(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(-c4ccc(N5CCS(=O)(=O)CC5)nn4)cc3[nH]c21 ZINC000043205756 562647033 /nfs/dbraw/zinc/64/70/33/562647033.db2.gz UJGMROGDTTZZAX-JOCHJYFZSA-N 1 0 559.574 3.260 1 0 KGAFRO CCc1ccc(C(=O)Cn2ncn(-c3ccc(C[N@H+](C)C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000043511657 562648774 /nfs/dbraw/zinc/64/87/74/562648774.db2.gz FGSYKDDDTKYKIT-WJOKGBTCSA-N 1 0 587.631 3.369 1 0 KGAFRO CCc1ccc(C(=O)Cn2ncn(-c3ccc(C[N@H+](C)C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000043511660 562648780 /nfs/dbraw/zinc/64/87/80/562648780.db2.gz FGSYKDDDTKYKIT-HKBQPEDESA-N 1 0 587.631 3.369 1 0 KGAFRO Cc1ccc(Cn2ncn(-c3ccc(C[N@@H+](C)C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000043523559 562648787 /nfs/dbraw/zinc/64/87/87/562648787.db2.gz YJUUCZXSJICTBE-GDLZYMKVSA-N 1 0 545.594 3.280 1 0 KGAFRO Cc1ccc(Cn2ncn(-c3ccc(C[N@@H+](C)C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000043523562 562648797 /nfs/dbraw/zinc/64/87/97/562648797.db2.gz YJUUCZXSJICTBE-LJAQVGFWSA-N 1 0 545.594 3.280 1 0 KGAFRO Cc1ccc(C(=O)Cn2ncn(-c3ccc(C[N@@H+](C)C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000043523965 562648913 /nfs/dbraw/zinc/64/89/13/562648913.db2.gz DVXCGPIIIZNWKY-SSEXGKCCSA-N 1 0 573.604 3.115 1 0 KGAFRO Cc1ccc(C(=O)Cn2ncn(-c3ccc(C[N@@H+](C)C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)cc1 ZINC000043523968 562648889 /nfs/dbraw/zinc/64/88/89/562648889.db2.gz DVXCGPIIIZNWKY-PMERELPUSA-N 1 0 573.604 3.115 1 0 KGAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(F)cc3F)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523995 562648873 /nfs/dbraw/zinc/64/88/73/562648873.db2.gz KJVONAXIPQLPFB-GDLZYMKVSA-N 1 0 595.557 3.085 1 0 KGAFRO C[N@H+](Cc1ccc(-n2cnn(CC(=O)c3ccc(F)cc3F)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043523998 562648908 /nfs/dbraw/zinc/64/89/08/562648908.db2.gz KJVONAXIPQLPFB-LJAQVGFWSA-N 1 0 595.557 3.085 1 0 KGAFRO Cc1cccc(Cn2ncn(-c3ccc(C[N@@H+](C)C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)c1 ZINC000043524342 562649016 /nfs/dbraw/zinc/64/90/16/562649016.db2.gz XQMZTXLYZHFACU-GDLZYMKVSA-N 1 0 545.594 3.280 1 0 KGAFRO Cc1cccc(Cn2ncn(-c3ccc(C[N@@H+](C)C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)cc3)c2=O)c1 ZINC000043524345 562648974 /nfs/dbraw/zinc/64/89/74/562648974.db2.gz XQMZTXLYZHFACU-LJAQVGFWSA-N 1 0 545.594 3.280 1 0 KGAFRO CC(C)([NH2+]CCCO)C(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O ZINC000043641138 562650520 /nfs/dbraw/zinc/65/05/20/562650520.db2.gz XUMMVMLVFBMVNO-AREMUKBSSA-N 1 0 553.667 3.249 1 0 KGAFRO CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O)[NH2+]CCN ZINC000043649025 562650589 /nfs/dbraw/zinc/65/05/89/562650589.db2.gz RQXHIHQLXVQLGA-AREMUKBSSA-N 1 0 552.683 3.215 1 0 KGAFRO CC(C)(CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O)[NH2+]CCO ZINC000043649040 562650585 /nfs/dbraw/zinc/65/05/85/562650585.db2.gz DJLFUJIMIKEBLK-AREMUKBSSA-N 1 0 553.667 3.249 1 0 KGAFRO CNC(=O)N(C)C(=O)O[C@]1(C)CC[N@@H+]2C[C@@]34C[C@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@H]3C[C@]21C(=O)N4C ZINC000043693133 562650798 /nfs/dbraw/zinc/65/07/98/562650798.db2.gz ZAKUNERYKHKCJD-MVIGKZKZSA-N 1 0 607.708 3.212 1 0 KGAFRO CC[C@H](NC(=O)[C@H]([NH2+]C)[C@H](OC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000043871526 562651053 /nfs/dbraw/zinc/65/10/53/562651053.db2.gz VOOWKQLTXMDXLZ-YJKLBIRBSA-N 1 0 642.794 3.364 1 0 KGAFRO COCCOCO[C@]1(C)CC[N@@H+]2C[C@@]34C[C@@]5(c6ccc7c(c6NC5=O)OC=CC(C)(C)O7)C(C)(C)[C@H]3C[C@]21C(=O)N4C ZINC000043939004 562651275 /nfs/dbraw/zinc/65/12/75/562651275.db2.gz VEPRTCLPNWCXAQ-DSFSKDBTSA-N 1 0 581.710 3.441 1 0 KGAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccccc3F)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044053134 562651914 /nfs/dbraw/zinc/65/19/14/562651914.db2.gz DOBQVTSBZISSMK-MUUNZHRXSA-N 1 0 549.557 3.111 1 0 KGAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccccc3F)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044053137 562651909 /nfs/dbraw/zinc/65/19/09/562651909.db2.gz DOBQVTSBZISSMK-NDEPHWFRSA-N 1 0 549.557 3.111 1 0 KGAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(F)cc3)c2=O)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044053147 562651951 /nfs/dbraw/zinc/65/19/51/562651951.db2.gz KLTWMOKKSQMGNT-MUUNZHRXSA-N 1 0 549.557 3.111 1 0 KGAFRO C[N@H+](Cc1ccc(-n2cnn(Cc3ccc(F)cc3)c2=O)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044053150 562651922 /nfs/dbraw/zinc/65/19/22/562651922.db2.gz KLTWMOKKSQMGNT-NDEPHWFRSA-N 1 0 549.557 3.111 1 0 KGAFRO [NH3+]CCNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000044069865 562652153 /nfs/dbraw/zinc/65/21/53/562652153.db2.gz QFLJXSZUJPCATE-WDYNHAJCSA-N 1 0 538.692 3.468 1 0 KGAFRO CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H]([NH3+])CF)cc(N(C)C[C@H]2C[C@H]2C)n1 ZINC000044086536 562652196 /nfs/dbraw/zinc/65/21/96/562652196.db2.gz SPKBGXFBJNXHQG-AUUXCDECSA-N 1 0 555.667 3.264 1 0 KGAFRO CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H]([NH3+])CF)cc(N(C)C[C@@H]2C[C@H]2C)n1 ZINC000044086539 562652192 /nfs/dbraw/zinc/65/21/92/562652192.db2.gz SPKBGXFBJNXHQG-BWPZPKMVSA-N 1 0 555.667 3.264 1 0 KGAFRO C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(N2CCCS2(=O)=O)c1)c1ccccc1 ZINC000044280585 562652919 /nfs/dbraw/zinc/65/29/19/562652919.db2.gz MBKQDBPGZVELFG-ZDERHKTGSA-N 1 0 590.746 3.172 1 0 KGAFRO CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000044281682 562653225 /nfs/dbraw/zinc/65/32/25/562653225.db2.gz DEMSFZJYAYNEHZ-ZRTHHSRSSA-N 1 0 629.777 3.345 1 0 KGAFRO COc1cc(/C=C/C(=O)O[C@@H]2[C@H]3C[C@@H](OC(=O)/C=C/c4cc(OC)c(OC)c(OC)c4)C[C@@H]([C@@H]2O)[N@H+]3C)cc(OC)c1OC ZINC000044281753 562653241 /nfs/dbraw/zinc/65/32/41/562653241.db2.gz GYERRJFXENPCTB-XPZAWVMKSA-N 1 0 613.660 3.126 1 0 KGAFRO COc1cc2c(cc1OC)[C@H](CC(=O)NCCc1ccc(C3=[NH+]CCN3)cc1)N(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000044281840 562653235 /nfs/dbraw/zinc/65/32/35/562653235.db2.gz PRHQWTQLZYATIB-MHZLTWQESA-N 1 0 576.719 3.399 1 0 KGAFRO COc1cc2c(cc1OC)[C@@H](CC(=O)NCCc1ccc(C3=[NH+]CCN3)cc1)N(S(=O)(=O)c1ccc(C)cc1)CC2 ZINC000044281843 562653232 /nfs/dbraw/zinc/65/32/32/562653232.db2.gz PRHQWTQLZYATIB-HHHXNRCGSA-N 1 0 576.719 3.399 1 0 KGAFRO COc1ccccc1N1CC[NH+](CCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044305533 562653485 /nfs/dbraw/zinc/65/34/85/562653485.db2.gz LLWRCKPZQATKSY-XMMPIXPASA-N 1 0 595.144 3.080 1 0 KGAFRO COc1ccccc1N1CC[NH+](CCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044305537 562653470 /nfs/dbraw/zinc/65/34/70/562653470.db2.gz LLWRCKPZQATKSY-DEOSSOPVSA-N 1 0 595.144 3.080 1 0 KGAFRO CCOc1ccccc1N1CC[NH+](CCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044305912 562653591 /nfs/dbraw/zinc/65/35/91/562653591.db2.gz JKWJHHJBTWAONB-RUZDIDTESA-N 1 0 609.171 3.470 1 0 KGAFRO CCOc1ccccc1N1CC[NH+](CCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000044305916 562653570 /nfs/dbraw/zinc/65/35/70/562653570.db2.gz JKWJHHJBTWAONB-VWLOTQADSA-N 1 0 609.171 3.470 1 0 KGAFRO CSc1c2sc(C3=C(C(=O)[O-])N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)c[n+]2cn1Cc1ccc(C[n+]2ccccc2)cc1 ZINC000044306391 562653727 /nfs/dbraw/zinc/65/37/27/562653727.db2.gz TVWZBNRGRTZGJM-ZERDBPEESA-O 1 0 562.717 3.048 1 0 KGAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1ccccc1)cc3N(C)S(=O)(=O)CC2 ZINC000044308023 562654181 /nfs/dbraw/zinc/65/41/81/562654181.db2.gz MZFWJFYQYIPXQF-LMSSTIIKSA-N 1 0 560.720 3.475 1 0 KGAFRO CCOC(=O)c1cc(C(=O)O[C@H]2C[C@H]3CC[N@H+](C)[C@H]3[C@@H]3c4cc5c(cc4C(=O)O[C@@H]23)OCO5)c(C)nc1C ZINC000044350622 562654333 /nfs/dbraw/zinc/65/43/33/562654333.db2.gz CIGBOXJOIYMZFE-ARIYCVRESA-N 1 0 522.554 3.176 1 0 KGAFRO CSc1c2sc(C3=C(C(=O)[O-])N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)c[n+]2cn1Cc1ccccc1C[n+]1ccccc1 ZINC000044350846 562654399 /nfs/dbraw/zinc/65/43/99/562654399.db2.gz YMBHLKXKTHTJBQ-ZERDBPEESA-O 1 0 562.717 3.048 1 0 KGAFRO CCC[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)CCN1C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1([NH3+])CCCC1 ZINC000044352043 562654977 /nfs/dbraw/zinc/65/49/77/562654977.db2.gz WOWDZBDFXRWMIV-AYQJTBPPSA-N 1 0 629.777 3.475 1 0 KGAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1ccccc1C(F)(F)F ZINC000044352467 562655125 /nfs/dbraw/zinc/65/51/25/562655125.db2.gz GTAXGGJMUPXOHB-VDKIKQQVSA-N 1 0 554.631 3.381 1 0 KGAFRO O=C(N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21)[C@H](O)[C@H](O)CS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000044352600 562655235 /nfs/dbraw/zinc/65/52/35/562655235.db2.gz ZRLUSHCQXOZUBC-UBFVSLLYSA-N 1 0 554.631 3.381 1 0 KGAFRO CC(C)C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)c2cccc3c(NCC[NH+](C)C)ccc(c32)C1=O ZINC000044360227 562655560 /nfs/dbraw/zinc/65/55/60/562655560.db2.gz FATKBUOIXZHJIB-DEOSSOPVSA-N 1 0 551.669 3.110 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3c(OC)ccc4ccccc43)[C@H]21)C(C)(C)C ZINC000044362255 562655853 /nfs/dbraw/zinc/65/58/53/562655853.db2.gz KULASWCGDWKFRQ-WSXGSKLPSA-N 1 0 508.663 3.097 1 0 KGAFRO CC[N@H+](CCCc1ccc(F)cc1)C[C@H]1OC(=O)N(C)C[C@]1(C)NC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000044387147 562656057 /nfs/dbraw/zinc/65/60/57/562656057.db2.gz JPDQWWXKNYFGDS-KCWPFWIISA-N 1 0 538.628 3.302 1 0 KGAFRO CC[N@H+](CCCc1ccc(F)cc1)C[C@@H]1OC(=O)N(C)C[C@]1(C)NC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000044387151 562656062 /nfs/dbraw/zinc/65/60/62/562656062.db2.gz JPDQWWXKNYFGDS-HOFKKMOUSA-N 1 0 538.628 3.302 1 0 KGAFRO CCCO[C@@H]1CN(S(=O)(=O)C2CC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044388402 562656365 /nfs/dbraw/zinc/65/63/65/562656365.db2.gz VAHQCHZRDLBPIQ-XMMPIXPASA-N 1 0 547.766 3.163 1 0 KGAFRO CCCO[C@H]1CN(S(=O)(=O)C2CC2)CCC12CC[NH+](C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044388405 562656359 /nfs/dbraw/zinc/65/63/59/562656359.db2.gz VAHQCHZRDLBPIQ-DEOSSOPVSA-N 1 0 547.766 3.163 1 0 KGAFRO COc1cccc(-c2c(C)n(Cc3c(F)cccc3S(C)(=O)=O)c(=O)n(C[C@H]([NH3+])c3ccccc3)c2=O)c1F ZINC000044403935 562656333 /nfs/dbraw/zinc/65/63/33/562656333.db2.gz DOXGBRWEFUKQOW-QFIPXVFZSA-N 1 0 555.603 3.424 1 0 KGAFRO Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CN(C)C(=O)O[C@H]2C[N@H+](CCCc2ccc(F)cc2)C2CC2)c1 ZINC000044405206 562656620 /nfs/dbraw/zinc/65/66/20/562656620.db2.gz QPLIYSHBLNDLCU-RPWUZVMVSA-N 1 0 536.612 3.054 1 0 KGAFRO COc1ccc2sc(C3(NC(=O)C[C@H]([NH3+])Cc4cc(F)c(F)cc4F)CCS(=O)(=O)CC3)nc2c1 ZINC000044406237 562656831 /nfs/dbraw/zinc/65/68/31/562656831.db2.gz KWLYTWVYNIPZMD-CQSZACIVSA-N 1 0 527.590 3.202 1 0 KGAFRO COc1ccc2nc(C3(NC(=O)C[C@H]([NH3+])Cc4cc(F)c(F)cc4F)CCS(=O)(=O)CC3)sc2c1 ZINC000044416786 562656968 /nfs/dbraw/zinc/65/69/68/562656968.db2.gz YJBDNLXXSLEIDJ-CQSZACIVSA-N 1 0 527.590 3.202 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CC=CC[C@H]2[C@@H](Cc3ccccc3)C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O ZINC000044417078 562657064 /nfs/dbraw/zinc/65/70/64/562657064.db2.gz XRNWGSINTQPCAV-UZYJKHRNSA-N 1 0 528.697 3.451 1 0 KGAFRO COCCOc1ccc2nc(C3(NC(=O)C[C@H]([NH3+])Cc4cc(F)c(F)cc4F)CCS(=O)(=O)CC3)sc2c1 ZINC000044417647 562657137 /nfs/dbraw/zinc/65/71/37/562657137.db2.gz VMQJWOOIGCGMIG-MRXNPFEDSA-N 1 0 571.643 3.219 1 0 KGAFRO COC(=O)c1ccc(NC(=O)Nc2ccc(Cn3ncc(N4CCC[NH2+]CC4)c(Cl)c3=O)cc2)cc1 ZINC000045188972 562658298 /nfs/dbraw/zinc/65/82/98/562658298.db2.gz IKFJLLPITGFXDR-UHFFFAOYSA-N 1 0 510.982 3.175 1 0 KGAFRO CCCC[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(CC)cn3c2c(c1)N(C)S(=O)(=O)CC3 ZINC000045190479 562658516 /nfs/dbraw/zinc/65/85/16/562658516.db2.gz NLYWKTUMRPKVOG-AZGAKELHSA-N 1 0 526.703 3.075 1 0 KGAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2(CC)CC2)cc(N2CCCCS2(=O)=O)c1 ZINC000045194196 562658761 /nfs/dbraw/zinc/65/87/61/562658761.db2.gz XXWQGSPRFKTEBP-IZZNHLLZSA-N 1 0 528.719 3.283 1 0 KGAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccco2)[C@H](O)C[NH2+]C2CCCCC2)cc(N2CCCCS2(=O)=O)c1 ZINC000045195148 562658883 /nfs/dbraw/zinc/65/88/83/562658883.db2.gz WGTPDGWMVISXRN-IZZNHLLZSA-N 1 0 532.707 3.266 1 0 KGAFRO CCNc1cc(C(=O)N[C@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCSCC2)cc(N2CCCC2=O)c1 ZINC000045195586 562658854 /nfs/dbraw/zinc/65/88/54/562658854.db2.gz JKMKQSJNAYENGT-CLJLJLNGSA-N 1 0 510.704 3.432 1 0 KGAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C[NH2+]C2CCSCC2)cc(N2CCCC2=O)c1 ZINC000045195589 562658882 /nfs/dbraw/zinc/65/88/82/562658882.db2.gz JKMKQSJNAYENGT-UIOOFZCWSA-N 1 0 510.704 3.432 1 0 KGAFRO CCNc1cc(C(=O)N[C@H](Cc2ccccc2)[C@@H](O)C[NH2+]C2CCSCC2)cc(N2CCCC2=O)c1 ZINC000045195591 562658861 /nfs/dbraw/zinc/65/88/61/562658861.db2.gz JKMKQSJNAYENGT-FTJBHMTQSA-N 1 0 510.704 3.432 1 0 KGAFRO CCCC[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(N2CCCCS2(=O)=O)c1 ZINC000045227354 562659433 /nfs/dbraw/zinc/65/94/33/562659433.db2.gz HJAZGBGAUPRYOP-IZZNHLLZSA-N 1 0 516.708 3.140 1 0 KGAFRO C[NH+](C)CCn1ncc2c1nc(-c1ccc(NC(=O)Nc3cccnc3)cc1)nc2N1C[C@H]2CC[C@@H](C1)O2 ZINC000045253944 562659824 /nfs/dbraw/zinc/65/98/24/562659824.db2.gz NIHHQWZEUOCDGK-SZPZYZBQSA-N 1 0 513.606 3.462 1 0 KGAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@]1(c2cccc(C(C)(C)C)c2)CCCN(C(N)=O)C1 ZINC000045259217 562659967 /nfs/dbraw/zinc/65/99/67/562659967.db2.gz XONCCTICAQCLTM-BXTSTYNKSA-N 1 0 516.633 3.330 1 0 KGAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CCCN(C(N)=O)C1 ZINC000045259220 562660003 /nfs/dbraw/zinc/66/00/03/562660003.db2.gz XONCCTICAQCLTM-OARDWFSCSA-N 1 0 516.633 3.330 1 0 KGAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OC[C@@H]1COCC[NH2+]1 ZINC000045259825 562660010 /nfs/dbraw/zinc/66/00/10/562660010.db2.gz MZXYVIPIHWTADU-IDISGSTGSA-N 1 0 526.601 3.096 1 0 KGAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OC[C@@H]1COCC[NH2+]1 ZINC000045259828 562659969 /nfs/dbraw/zinc/65/99/69/562659969.db2.gz MZXYVIPIHWTADU-KDYSTLNUSA-N 1 0 526.601 3.096 1 0 KGAFRO CON[C@H]1CC[C@@]([NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CN1 ZINC000045260964 562660019 /nfs/dbraw/zinc/66/00/19/562660019.db2.gz GWYUTDIWKSTOGJ-RVUATISTSA-N 1 0 518.649 3.016 1 0 KGAFRO COc1ccc(-n2cc(CCCC(=O)NCCCC[NH+]3CCN(c4ccccc4OC)CC3)nn2)cc1 ZINC000045287374 562660177 /nfs/dbraw/zinc/66/01/77/562660177.db2.gz IAEZTXPDRQINKK-UHFFFAOYSA-N 1 0 506.651 3.326 1 0 KGAFRO O=C1COc2ccc(S(=O)(=O)N3CCC[C@@H]3CC[NH+]3CCC(c4c[nH]c5cnccc54)CC3)cc2N1 ZINC000045302522 562660689 /nfs/dbraw/zinc/66/06/89/562660689.db2.gz IGLMHKRGKBFBTO-LJQANCHMSA-N 1 0 509.632 3.317 1 0 KGAFRO O=c1[nH]c2ccc(-c3nc4c(cnn4C4CC[NH+](Cc5ccccc5)CC4)c(N4CCOCC4)n3)cc2[nH]1 ZINC000045302534 562660697 /nfs/dbraw/zinc/66/06/97/562660697.db2.gz GJGVISSXPUVBFU-UHFFFAOYSA-N 1 0 510.602 3.337 1 0 KGAFRO CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccc(N3CC[NH2+]CC3)nc2=O)cc1 ZINC000045302950 562660754 /nfs/dbraw/zinc/66/07/54/562660754.db2.gz JBVKIHNLOMFWIH-UHFFFAOYSA-N 1 0 516.067 3.453 1 0 KGAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCN(C(N)=O)CC1 ZINC000045318686 562660956 /nfs/dbraw/zinc/66/09/56/562660956.db2.gz WKPYEYRMQAMPIL-LOSJGSFVSA-N 1 0 516.633 3.330 1 0 KGAFRO CNC(=O)c1cnc(Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)nc1Nc1cccc(Br)c1 ZINC000045323941 562661146 /nfs/dbraw/zinc/66/11/46/562661146.db2.gz CYLIMBAEMIWOFX-GOSISDBHSA-N 1 0 515.412 3.387 1 0 KGAFRO CNC(=O)c1cnc(Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)nc1Nc1cccc(Br)c1 ZINC000045323944 562661179 /nfs/dbraw/zinc/66/11/79/562661179.db2.gz CYLIMBAEMIWOFX-SFHVURJKSA-N 1 0 515.412 3.387 1 0 KGAFRO CCn1c(=O)/c(=C/C=C2\Sc3ccccc3N2C)s/c1=C\c1sc2ccc(F)cc2[n+]1CCO ZINC000045324649 562661204 /nfs/dbraw/zinc/66/12/04/562661204.db2.gz UACJUHAYOYUZTB-BIAOHPHYSA-N 1 0 512.677 3.256 1 0 KGAFRO COc1ccc(C[NH+]2CCC(n3cnc4c3nc(-c3cccc(O)c3)nc4N3CCOCC3)CC2)cn1 ZINC000045336181 562661372 /nfs/dbraw/zinc/66/13/72/562661372.db2.gz OEKPVDAQJATZGK-UHFFFAOYSA-N 1 0 501.591 3.276 1 0 KGAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(C(=O)C4CCCC4)C3)C[C@@H]2C1 ZINC000045348195 562661681 /nfs/dbraw/zinc/66/16/81/562661681.db2.gz LTPJISPLEQJCLN-PLQXJYEYSA-N 1 0 501.675 3.458 1 0 KGAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(C(=O)C4CC(F)(F)C4)C3)C[C@@H]2C1 ZINC000045350319 562661724 /nfs/dbraw/zinc/66/17/24/562661724.db2.gz QEUFDDTZYXVZLP-ZRZAMGCNSA-N 1 0 523.628 3.313 1 0 KGAFRO Cc1c(C)c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4([NH2+]CC5CC5)CCCCC4)CC3)c2)n[nH]c1=O ZINC000045391177 562662583 /nfs/dbraw/zinc/66/25/83/562662583.db2.gz YDLDPHUTWRACHD-UHFFFAOYSA-N 1 0 523.653 3.104 1 0 KGAFRO COc1ccc(OC)c(CC(=O)NCC2CC[NH+](CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1 ZINC000045495393 562662620 /nfs/dbraw/zinc/66/26/20/562662620.db2.gz OFQZANNCAPUNJN-UHFFFAOYSA-N 1 0 520.026 3.176 1 0 KGAFRO CC(C)[C@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000045495786 562662633 /nfs/dbraw/zinc/66/26/33/562662633.db2.gz AVDLGJXOQJRKPV-RDGATRHJSA-N 1 0 521.489 3.408 1 0 KGAFRO CC(C)[C@@H](O)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000045495788 562662694 /nfs/dbraw/zinc/66/26/94/562662694.db2.gz AVDLGJXOQJRKPV-RCZVLFRGSA-N 1 0 521.489 3.408 1 0 KGAFRO COc1cc(C(C)C)c(Oc2cnc(NCC[NH+]3CCC(O)CC3)nc2N)cc1I ZINC000045506528 562662868 /nfs/dbraw/zinc/66/28/68/562662868.db2.gz QIUGFNUDQJFIFZ-UHFFFAOYSA-N 1 0 527.407 3.456 1 0 KGAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2ccc3c(c2)OCCO3)cc(N2CCCCS2(=O)=O)c1 ZINC000048307291 562662903 /nfs/dbraw/zinc/66/29/03/562662903.db2.gz QJUQXPAEJUQELG-URLMMPGGSA-N 1 0 608.761 3.311 1 0 KGAFRO CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(N2CCCCS2(=O)=O)c1 ZINC000048308845 562663109 /nfs/dbraw/zinc/66/31/09/562663109.db2.gz XEVXUTCWBYLMSV-URLMMPGGSA-N 1 0 584.783 3.333 1 0 KGAFRO CS(=O)(=O)N(c1ccccc1)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(N2CCCC2=O)c1 ZINC000048308860 562663104 /nfs/dbraw/zinc/66/31/04/562663104.db2.gz JWXULNOLEDFXNH-URLMMPGGSA-N 1 0 576.719 3.365 1 0 KGAFRO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000049037285 562663595 /nfs/dbraw/zinc/66/35/95/562663595.db2.gz MJNLRXMOZWFUEW-FPOVZHCZSA-N 1 0 524.647 3.178 1 0 KGAFRO CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000049037287 562663596 /nfs/dbraw/zinc/66/35/96/562663596.db2.gz MJNLRXMOZWFUEW-PZJWPPBQSA-N 1 0 524.647 3.178 1 0 KGAFRO CCCCC(=O)N1CCC(CC[N@@H+]2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000049067584 562663955 /nfs/dbraw/zinc/66/39/55/562663955.db2.gz XSEMBRYPYCMYFF-JOCHJYFZSA-N 1 0 510.601 3.445 1 0 KGAFRO CC(C)[N@H+](C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3ccccc3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 ZINC000049071500 562664138 /nfs/dbraw/zinc/66/41/38/562664138.db2.gz KWEMWXSXTGQSGX-AYEHBTSNSA-N 1 0 511.688 3.369 1 0 KGAFRO CN(C)CC[NH2+]CCn1ccc2c1nc(-c1ccc(NC(=O)Nc3ccncc3)cc1)nc2N1CCOCC1 ZINC000049072966 562664267 /nfs/dbraw/zinc/66/42/67/562664267.db2.gz JKYVJQWMGYWEPL-UHFFFAOYSA-N 1 0 529.649 3.125 1 0 KGAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C1 ZINC000049090042 562664511 /nfs/dbraw/zinc/66/45/11/562664511.db2.gz BVQMTPGDMYCMMB-HMNRDNJPSA-N 1 0 534.701 3.380 1 0 KGAFRO CNC(=O)Cc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049112197 562664580 /nfs/dbraw/zinc/66/45/80/562664580.db2.gz WLZGENRVUAPESL-UHFFFAOYSA-N 1 0 525.657 3.456 1 0 KGAFRO COc1ccc2nccc([C@@H](O)C[NH+]3CCC(NS(=O)(=O)c4cc5c(cc4Cl)SCC(=O)N5)CC3)c2c1 ZINC000049604924 562665058 /nfs/dbraw/zinc/66/50/58/562665058.db2.gz HMXPJEJYAWTKOK-QFIPXVFZSA-N 1 0 563.101 3.417 1 0 KGAFRO CCCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCOCC1)cc3N(CC)S(=O)(=O)CC2 ZINC000049605168 562665458 /nfs/dbraw/zinc/66/54/58/562665458.db2.gz VXDWLOITVGHSCA-LMSSTIIKSA-N 1 0 582.767 3.234 1 0 KGAFRO CC(C)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCOCC2)c(F)c(N2CCCCS2(=O)=O)c1 ZINC000049605314 562665665 /nfs/dbraw/zinc/66/56/65/562665665.db2.gz XDMHWODWPLTACS-AHKZPQOWSA-N 1 0 576.735 3.047 1 0 KGAFRO CC(C)(C)Nc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCOCC2)cc(N2CCCCS2(=O)=O)c1 ZINC000049605326 562665663 /nfs/dbraw/zinc/66/56/63/562665663.db2.gz PYVMCJNONZSUBQ-WUFINQPMSA-N 1 0 572.772 3.298 1 0 KGAFRO CC(C)c1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCOCC1)cc3N(C)S(=O)(=O)CC2 ZINC000049605658 562666158 /nfs/dbraw/zinc/66/61/58/562666158.db2.gz UOQCRDNYVUQPQD-XTEPFMGCSA-N 1 0 568.740 3.015 1 0 KGAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(N4C[C@@H](C)[NH2+][C@H](C)C4)cc(=O)oc3c2C)OC1(C)C ZINC000049616082 562666770 /nfs/dbraw/zinc/66/67/70/562666770.db2.gz UYRGVXHRKXFYHU-ASRVTOAZSA-N 1 0 569.655 3.040 1 0 KGAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(N4C[C@H](C)[NH2+][C@@H](C)C4)cc(=O)oc3c2C)OC1(C)C ZINC000049616084 562666784 /nfs/dbraw/zinc/66/67/84/562666784.db2.gz UYRGVXHRKXFYHU-WEJCHQEGSA-N 1 0 569.655 3.040 1 0 KGAFRO CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cc(OC)cc(OC)c2)cc(N2CCCS2(=O)=O)c1 ZINC000049625720 562666832 /nfs/dbraw/zinc/66/68/32/562666832.db2.gz MIJASULWCLDVRD-XZWHSSHBSA-N 1 0 596.750 3.167 1 0 KGAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1cccc(Cl)c1)[C@H](O)C[NH2+]C1CC1)cc3N(C)S(=O)(=O)CC2 ZINC000049626501 562667213 /nfs/dbraw/zinc/66/72/13/562667213.db2.gz SHZHGXXCSGCUOU-UKILVPOCSA-N 1 0 545.105 3.091 1 0 KGAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)[C@@H]2NN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C ZINC000049637858 562667597 /nfs/dbraw/zinc/66/75/97/562667597.db2.gz PXOWTSULLNXFCM-RKAOLQKHSA-N 1 0 595.778 3.249 1 0 KGAFRO CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C ZINC000049637872 562667592 /nfs/dbraw/zinc/66/75/92/562667592.db2.gz UGYMIFXFRCMDEP-HMODDIRLSA-N 1 0 596.762 3.219 1 0 KGAFRO CCCCCn1cnc2cccc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@@]2(CC)OC(=O)OCCS(=O)(=O)CC[NH3+] ZINC000049639494 562667776 /nfs/dbraw/zinc/66/77/76/562667776.db2.gz SZXCHRNMJCFDAI-HKBQPEDESA-N 1 0 637.715 3.154 1 0 KGAFRO COc1cc(COC(=O)CCCCCO[N+](=O)[O-])cc(OC)c1C(=O)O[C@@H](C[NH2+]C(C)(C)C)COc1nsnc1N1CCOCC1 ZINC000049639502 562667775 /nfs/dbraw/zinc/66/77/75/562667775.db2.gz CGQOLHPUYDAYPB-NRFANRHFSA-N 1 0 669.754 3.196 1 0 KGAFRO COc1cc(COC(=O)CCCCCO[N+](=O)[O-])c(C(=O)O[C@@H](C[NH2+]C(C)(C)C)COc2nsnc2N2CCOCC2)c(OC)c1 ZINC000049650344 562668072 /nfs/dbraw/zinc/66/80/72/562668072.db2.gz JGIZTUKSSVHSRE-QFIPXVFZSA-N 1 0 669.754 3.196 1 0 KGAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000049678028 562668432 /nfs/dbraw/zinc/66/84/32/562668432.db2.gz BROUFXKDLPNALC-GTJCPKOCSA-N 1 0 538.447 3.352 1 0 KGAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@H]2NC1=NC(=O)OCCN1CC[NH2+]CC1 ZINC000049678376 562668533 /nfs/dbraw/zinc/66/85/33/562668533.db2.gz OEIFFQPPBJFHDE-NDEPHWFRSA-N 1 0 539.644 3.013 1 0 KGAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4ccccc4)c3)NC=N[C@@H]2NC1=NC(=O)OCCN1CC[NH2+]CC1 ZINC000049678379 562668543 /nfs/dbraw/zinc/66/85/43/562668543.db2.gz OEIFFQPPBJFHDE-MUUNZHRXSA-N 1 0 539.644 3.013 1 0 KGAFRO Cc1c(I)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CC[NH2+]CC4)cn3)ncc12 ZINC000049678449 562668582 /nfs/dbraw/zinc/66/85/82/562668582.db2.gz BXHIXGPLFQBFFY-UHFFFAOYSA-N 1 0 531.402 3.368 1 0 KGAFRO CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CNS(=O)(=O)c1ccc(C)cc1 ZINC000049678593 562668588 /nfs/dbraw/zinc/66/85/88/562668588.db2.gz VMODNEWYLILSMS-YSOADSQMSA-N 1 0 645.826 3.171 1 0 KGAFRO COc1ccc([C@@H](CCCNS(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CC[NH2+]CC4)c3C2=O)cc1OC ZINC000049678621 562668626 /nfs/dbraw/zinc/66/86/26/562668626.db2.gz UWBKABDDTOPLAQ-OAQYLSRUSA-N 1 0 584.720 3.271 1 0 KGAFRO Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(Nc5cccc(N)c5)nc(N[C@@H]5CC[NH2+]C5)n4)cc3)n2)c1 ZINC000049679538 562668947 /nfs/dbraw/zinc/66/89/47/562668947.db2.gz MOTMKDNZZLGTRL-AREMUKBSSA-N 1 0 649.768 3.284 1 0 KGAFRO Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(Nc5cccc(N)c5)nc(N[C@H]5CC[NH2+]C5)n4)cc3)n2)c1 ZINC000049679542 562668910 /nfs/dbraw/zinc/66/89/10/562668910.db2.gz MOTMKDNZZLGTRL-SANMLTNESA-N 1 0 649.768 3.284 1 0 KGAFRO C[NH+](C)CCNc1nc(Nc2ccc(CCNc3nc(NCCO)nc(Nc4cccc(N)c4)n3)cc2)nc(Nc2cccc(N)c2)n1 ZINC000049694521 562669451 /nfs/dbraw/zinc/66/94/51/562669451.db2.gz BCCURZONKXCDEI-UHFFFAOYSA-N 1 0 651.784 3.484 1 0 KGAFRO CC1(C)OC[C@H](C2(OC(=O)N3C[C@H]4CC[C@@H](C3)[N@H+]4CCO)CC2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1C1CC1 ZINC000049694552 562669429 /nfs/dbraw/zinc/66/94/29/562669429.db2.gz XJVAATLSEOQVFP-CBJLPSGESA-N 1 0 568.136 3.097 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c(C23CC4CC(CC(C4)C2)C3)n1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000049694938 562669995 /nfs/dbraw/zinc/66/99/95/562669995.db2.gz CLJIPMZDAUDOQX-HLQCIJMISA-N 1 0 634.826 3.378 1 0 KGAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2CCS(=O)(=O)N2CCC([NH2+]CC3CCOCC3)CC2)c(OC)c1 ZINC000049694995 562670099 /nfs/dbraw/zinc/67/00/99/562670099.db2.gz BPRTVWSFENDHFX-AREMUKBSSA-N 1 0 621.822 3.414 1 0 KGAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2CCS(=O)(=O)N2CCC([NH2+]CC3CCOCC3)CC2)c(OC)c1 ZINC000049694997 562670097 /nfs/dbraw/zinc/67/00/97/562670097.db2.gz BPRTVWSFENDHFX-SANMLTNESA-N 1 0 621.822 3.414 1 0 KGAFRO O[C@@](Cn1cncn1)(CN1CC[NH+](CCCOc2ccc(Br)cc2)CC1)c1ccc(F)cc1F ZINC000049695006 562670081 /nfs/dbraw/zinc/67/00/81/562670081.db2.gz YXYUGBKXJGNEMZ-XMMPIXPASA-N 1 0 536.421 3.293 1 0 KGAFRO O[C@](Cn1cncn1)(CN1CC[NH+](CCCOc2ccc(Br)cc2)CC1)c1ccc(F)cc1F ZINC000049695007 562670100 /nfs/dbraw/zinc/67/01/00/562670100.db2.gz YXYUGBKXJGNEMZ-DEOSSOPVSA-N 1 0 536.421 3.293 1 0 KGAFRO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(N4CCC([NH+](C)C)CC4)cc(=O)oc3c2C)OC1(C)C ZINC000049695169 562670215 /nfs/dbraw/zinc/67/02/15/562670215.db2.gz CGVKXQZIAVPPLI-XMABBMNZSA-N 1 0 583.682 3.384 1 0 KGAFRO COC(=O)N[C@H]1CC[C@@]([NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CN1 ZINC000049695410 562670485 /nfs/dbraw/zinc/67/04/85/562670485.db2.gz HKHJJBDBPGVVKN-BVXNIFABSA-N 1 0 546.659 3.221 1 0 KGAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2CCS(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c(OC)c1 ZINC000049708543 562670973 /nfs/dbraw/zinc/67/09/73/562670973.db2.gz JZKUQQJGKRTKRL-XMMPIXPASA-N 1 0 577.769 3.398 1 0 KGAFRO COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2CCS(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c(OC)c1 ZINC000049708546 562670965 /nfs/dbraw/zinc/67/09/65/562670965.db2.gz JZKUQQJGKRTKRL-DEOSSOPVSA-N 1 0 577.769 3.398 1 0 KGAFRO CCC[NH2+]C1CCN(S(=O)(=O)CC[C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(OC)cc2OC)CC1 ZINC000049709833 562671478 /nfs/dbraw/zinc/67/14/78/562671478.db2.gz XPPJMZLNLXTIMY-QHCPKHFHSA-N 1 0 565.758 3.398 1 0 KGAFRO CCC[NH2+]C1CCN(S(=O)(=O)CC[C@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(OC)cc2OC)CC1 ZINC000049709839 562671475 /nfs/dbraw/zinc/67/14/75/562671475.db2.gz XPPJMZLNLXTIMY-HSZRJFAPSA-N 1 0 565.758 3.398 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)c1cccs1 ZINC000049709873 562671459 /nfs/dbraw/zinc/67/14/59/562671459.db2.gz OOUIBTAUUWLUGP-RBLSKBOASA-N 1 0 662.857 3.284 1 0 KGAFRO CCc1ccnc2c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCOCC1)cc2N1CCCC1=O ZINC000049710846 562671878 /nfs/dbraw/zinc/67/18/78/562671878.db2.gz ZJMBFABCYFMABV-XTEPFMGCSA-N 1 0 530.669 3.395 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1cccs1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 ZINC000049710948 562671864 /nfs/dbraw/zinc/67/18/64/562671864.db2.gz GSEHYIXEGMWYII-HMUVCYRPSA-N 1 0 676.884 3.154 1 0 KGAFRO CCCc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCOCC2)c(F)c(N2CCCCS2(=O)=O)c1 ZINC000049711263 562672034 /nfs/dbraw/zinc/67/20/34/562672034.db2.gz SDQPPRXTGYPFMS-AHKZPQOWSA-N 1 0 561.720 3.179 1 0 KGAFRO CC[NH+]1CCN(c2cccc3c2CN([C@H](CCCNS(=O)(=O)c2c[nH]cn2)c2ccc(OC)c(OC)c2)C3=O)CC1 ZINC000049722755 562672531 /nfs/dbraw/zinc/67/25/31/562672531.db2.gz CLJZHEOPHRWZIL-XMMPIXPASA-N 1 0 582.727 3.025 1 0 KGAFRO O[C@H](CNCC[NH2+]C[C@@H](O)COC(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2)COC(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000049722778 562672515 /nfs/dbraw/zinc/67/25/15/562672515.db2.gz BPAQBOKUVJFZCX-VSGBNLITSA-N 1 0 716.740 3.415 1 0 KGAFRO O[C@@H](CNCC[NH2+]C[C@H](O)COC(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2)COC(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000049722779 562672502 /nfs/dbraw/zinc/67/25/02/562672502.db2.gz BPAQBOKUVJFZCX-NSOVKSMOSA-N 1 0 716.740 3.415 1 0 KGAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](NC(C)=O)NC1 ZINC000049722786 562672521 /nfs/dbraw/zinc/67/25/21/562672521.db2.gz NGDBRADCUXHMDA-UMNYJUJISA-N 1 0 530.660 3.001 1 0 KGAFRO CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CNC(=O)NCc1ccccc1 ZINC000049722886 562672668 /nfs/dbraw/zinc/67/26/68/562672668.db2.gz IHWAHCOLVXAEFK-HVSNEVFASA-N 1 0 624.786 3.383 1 0 KGAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)NC=N[C@H]2NC1=NC(=O)OC[C@@H]1COCC[NH2+]1 ZINC000049722968 562672760 /nfs/dbraw/zinc/67/27/60/562672760.db2.gz IWUDGWPMXMXFFH-IDISGSTGSA-N 1 0 544.591 3.235 1 0 KGAFRO CCC1=C2C(=Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)NC=N[C@@H]2NC1=NC(=O)OC[C@@H]1COCC[NH2+]1 ZINC000049722969 562672774 /nfs/dbraw/zinc/67/27/74/562672774.db2.gz IWUDGWPMXMXFFH-KDYSTLNUSA-N 1 0 544.591 3.235 1 0 KGAFRO CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CNC(=O)c1ccccc1 ZINC000049722976 562672764 /nfs/dbraw/zinc/67/27/64/562672764.db2.gz BKCCBNUDADJBCR-QSXRPSNWSA-N 1 0 595.744 3.314 1 0 KGAFRO CNC(=O)[C@H](C(C)C)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@H](C)[NH3+])nn3)nn2)nn1 ZINC000049723088 562672920 /nfs/dbraw/zinc/67/29/20/562672920.db2.gz CJGUIYMYBSFWLK-BQVIPMCUSA-N 1 0 567.702 3.088 1 0 KGAFRO Cn1c2nc3n(cc(-c4ccccc4)n3CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c(=O)n(C)c1=O ZINC000049723366 562673317 /nfs/dbraw/zinc/67/33/17/562673317.db2.gz FKLPWLGTPVBKDG-UHFFFAOYSA-N 1 0 532.048 3.219 1 0 KGAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)[C@H](OC(=O)O2)[C@H](C)[C@H]2OC(=O)O[C@@]21C ZINC000049733908 562673348 /nfs/dbraw/zinc/67/33/48/562673348.db2.gz MUIFMBJTPUOVSS-XIXZLUOXSA-N 1 0 629.744 3.017 1 0 KGAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)[C@H](OC(=O)O2)[C@H](C)[C@H]2OC(=O)O[C@@]21C ZINC000049733912 562673353 /nfs/dbraw/zinc/67/33/53/562673353.db2.gz MUIFMBJTPUOVSS-DITIWRIVSA-N 1 0 629.744 3.017 1 0 KGAFRO c1ccc2c(c1)[nH]c1c2CCN(c2ncnc(N3CC[NH+](CCCN4CCOCC4)CC3)n2)[C@H]1c1ccc2c(c1)CCO2 ZINC000049744809 562673459 /nfs/dbraw/zinc/67/34/59/562673459.db2.gz MLFBDCLOABMUNJ-HKBQPEDESA-N 1 0 580.737 3.284 1 0 KGAFRO c1ccc2c(c1)[nH]c1c2CCN(c2ncnc(N3CC[NH+](CCCN4CCOCC4)CC3)n2)[C@@H]1c1ccc2c(c1)CCO2 ZINC000049744811 562673469 /nfs/dbraw/zinc/67/34/69/562673469.db2.gz MLFBDCLOABMUNJ-WJOKGBTCSA-N 1 0 580.737 3.284 1 0 KGAFRO CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cc(OC)cc(OC)c2)cc(N2CCCS2(=O)=O)c1 ZINC000049745100 562673658 /nfs/dbraw/zinc/67/36/58/562673658.db2.gz GCOCPWVMMUVYGS-XZWHSSHBSA-N 1 0 597.734 3.134 1 0 KGAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CCCC1)cc3N(C)S(=O)(=O)CC2 ZINC000049745311 562673795 /nfs/dbraw/zinc/67/37/95/562673795.db2.gz MJBDTMXFUAIFHT-AHKZPQOWSA-N 1 0 538.714 3.218 1 0 KGAFRO CCn1cc2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(OC)c1)cc3N(C)S(=O)(=O)CC2 ZINC000049745482 562673897 /nfs/dbraw/zinc/67/38/97/562673897.db2.gz FOVVKZUXJPCNPW-BHBYDHKZSA-N 1 0 590.746 3.484 1 0 KGAFRO O=C(CC1CC[NH2+]CC1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049745628 562674028 /nfs/dbraw/zinc/67/40/28/562674028.db2.gz AELXQWOSRFXARF-UHFFFAOYSA-N 1 0 573.659 3.197 1 0 KGAFRO CCn1nnc2c1nc(-c1ccc(NC(=O)Nc3ccc(C(=O)NCCC[NH+](C)C)cc3)cc1)nc2N1CCOCC1 ZINC000049746601 562674501 /nfs/dbraw/zinc/67/45/01/562674501.db2.gz FUDRVRQHDVLJRT-UHFFFAOYSA-N 1 0 572.674 3.070 1 0 KGAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C ZINC000049748445 562674729 /nfs/dbraw/zinc/67/47/29/562674729.db2.gz JUXBXTDPLFNOCQ-NBQPNFJYSA-N 1 0 637.815 3.076 1 0 KGAFRO C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCNS(N)(=O)=O)c2cccc(Cl)c2)C1 ZINC000049756236 562674889 /nfs/dbraw/zinc/67/48/89/562674889.db2.gz LHMKYOPUANARSY-KTIWRFAQSA-N 1 0 558.189 3.081 1 0 KGAFRO Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(C(=O)[C@@H]4CCOC4)C3)C[C@@H]2C1 ZINC000049756306 562674959 /nfs/dbraw/zinc/67/49/59/562674959.db2.gz GHWDTFLMALBCPA-ZLNRFVROSA-N 1 0 571.644 3.323 1 0 KGAFRO Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(C(=O)[C@H]4CCOC4)C3)C[C@@H]2C1 ZINC000049756310 562674945 /nfs/dbraw/zinc/67/49/45/562674945.db2.gz GHWDTFLMALBCPA-RJGXRXQPSA-N 1 0 571.644 3.323 1 0 KGAFRO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3o2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1 ZINC000049756427 562674994 /nfs/dbraw/zinc/67/49/94/562674994.db2.gz OXDWZBAYLRPOQJ-UCLAIMLFSA-N 1 0 544.077 3.316 1 0 KGAFRO Cc1[nH]nc2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c5ccccc5[nH]c4C(N)=O)c(N)nc3-c3ccoc3C)nc12 ZINC000049756567 562675116 /nfs/dbraw/zinc/67/51/16/562675116.db2.gz LJVDXVHUFXOWBO-HNNXBMFYSA-N 1 0 537.584 3.403 1 0 KGAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4ccccc4)CN(S(=O)(=O)C4CCCC4)C3)C[C@@H]2C1 ZINC000049756838 562675250 /nfs/dbraw/zinc/67/52/50/562675250.db2.gz UNBFIGLKGNIVIA-PSWAGMNNSA-N 1 0 537.730 3.013 1 0 KGAFRO CN(C(=O)CCC[NH3+])[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000049757128 562675545 /nfs/dbraw/zinc/67/55/45/562675545.db2.gz XNOPYMNHSRFUGD-GTKRZRNESA-N 1 0 746.953 3.489 1 0 KGAFRO CS(=O)(=O)N1CCN(Cc2cc3nc(-c4ccc(NC(=O)NC5CC5)cc4)nc(N4C[C@H]5CC[C@@H](C4)O5)c3s2)CC1 ZINC000049757270 562675775 /nfs/dbraw/zinc/67/57/75/562675775.db2.gz NLNIZBXJXWGGBP-SZPZYZBQSA-N 1 0 597.767 3.087 1 0 KGAFRO C[NH+](C)C(C)(C)C(=O)N1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n43)ccc2F)CC1 ZINC000049757413 562676000 /nfs/dbraw/zinc/67/60/00/562676000.db2.gz KOXUSQYCBSKEKW-UHFFFAOYSA-N 1 0 536.435 3.289 1 0 KGAFRO Oc1cccc(-c2nc3c(ncn3C3CC[NH+](Cc4ccc(N5CCOCC5)nc4)CC3)c(N3CCOCC3)n2)c1 ZINC000049757421 562675976 /nfs/dbraw/zinc/67/59/76/562675976.db2.gz AVZGSICCQIZYHF-UHFFFAOYSA-N 1 0 556.671 3.104 1 0 KGAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CCC3(c4cccc(F)c4)CCN(C(=O)C(C)(C)CO)CC3)C[C@@H]2C1 ZINC000049762391 562676526 /nfs/dbraw/zinc/67/65/26/562676526.db2.gz RLODTORRZLMXLH-PSWAGMNNSA-N 1 0 551.707 3.205 1 0 KGAFRO C[NH+]1CCN(c2nc3ccc(Cl)cc3c(NCCS(=O)(=O)Nc3ccc(I)cc3)n2)CC1 ZINC000049771881 562678453 /nfs/dbraw/zinc/67/84/53/562678453.db2.gz GTJYHMIJNLKPCW-UHFFFAOYSA-N 1 0 586.887 3.493 1 0 KGAFRO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1ccc(I)cc1 ZINC000049774642 562678685 /nfs/dbraw/zinc/67/86/85/562678685.db2.gz ZXZZWQALHFDJRR-XGTKUTNFSA-N 1 0 572.443 3.360 1 0 KGAFRO CN1CCN(C(=O)CSc2cc(-c3nn(CCC[NH+]4CCC(N5CCCC5=O)CC4)c4c3CN(S(C)(=O)=O)CC4)ccc2C(F)(F)F)CC1 ZINC000049775130 562678947 /nfs/dbraw/zinc/67/89/47/562678947.db2.gz APAYPCUJJFQAJM-UHFFFAOYSA-N 1 0 725.904 3.230 1 0 KGAFRO C[C@@H](NC(=O)c1cc(CNC(=O)[C@](C)([NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049775558 562679136 /nfs/dbraw/zinc/67/91/36/562679136.db2.gz HTZKPKLJYLELSH-WHLCRQNOSA-N 1 0 540.661 3.289 1 0 KGAFRO C[C@@H](NC(=O)c1cc(CNC(=O)[C@@](C)([NH3+])Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049775559 562679112 /nfs/dbraw/zinc/67/91/12/562679112.db2.gz HTZKPKLJYLELSH-GDJIYFAZSA-N 1 0 540.661 3.289 1 0 KGAFRO CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C ZINC000049776218 562679227 /nfs/dbraw/zinc/67/92/27/562679227.db2.gz JUXBXTDPLFNOCQ-YWOIOTBYSA-N 1 0 637.815 3.076 1 0 KGAFRO Cc1cc(C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2cccc3ccccc32)C(N)=O)cc(C)c1O ZINC000049776235 562679300 /nfs/dbraw/zinc/67/93/00/562679300.db2.gz SFFOEWDACJBOOX-ZFOKTMFVSA-N 1 0 688.829 3.445 1 0 KGAFRO COc1ccccc1CNC(=O)NCc1cccnc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1 ZINC000049776401 562679511 /nfs/dbraw/zinc/67/95/11/562679511.db2.gz SEUSWYHDHTZPQC-AREMUKBSSA-N 1 0 642.588 3.121 1 0 KGAFRO Cc1cc(CN2CCN(c3c4[nH]c(-c5ccc(CN6CC[NH2+]CC6)cc5)nc4ncc3Br)CC2)no1 ZINC000049777178 562679728 /nfs/dbraw/zinc/67/97/28/562679728.db2.gz LCBDAPTXZRZOKX-UHFFFAOYSA-N 1 0 551.493 3.411 1 0 KGAFRO C[C@@H](NC(=O)c1cc(OCC[C@]([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049777193 562679796 /nfs/dbraw/zinc/67/97/96/562679796.db2.gz ODGAGVBZJZEVES-PIIWDFAUSA-N 1 0 543.661 3.414 1 0 KGAFRO C[C@@H](NC(=O)c1cc(OCC[C@@]([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049777194 562679771 /nfs/dbraw/zinc/67/97/71/562679771.db2.gz ODGAGVBZJZEVES-NGOKVRLYSA-N 1 0 543.661 3.414 1 0 KGAFRO CC(C)COC(=O)Nc1ccc(-c2cnc3c(-c4cccc(N5CCN(C(=O)C[NH3+])CC5)c4)cnn3c2N)cc1 ZINC000049777218 562679791 /nfs/dbraw/zinc/67/97/91/562679791.db2.gz MDBPVHFMWKYINB-UHFFFAOYSA-N 1 0 542.644 3.457 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)nn2C[C@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049777436 562680069 /nfs/dbraw/zinc/68/00/69/562680069.db2.gz GMALOPFMKHYUIT-RUZDIDTESA-N 1 0 722.856 3.473 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)nn2C[C@@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049777437 562680038 /nfs/dbraw/zinc/68/00/38/562680038.db2.gz GMALOPFMKHYUIT-VWLOTQADSA-N 1 0 722.856 3.473 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CC[C@H](O)C4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049777438 562680021 /nfs/dbraw/zinc/68/00/21/562680021.db2.gz DPEWOEVHBFUSOR-DEOSSOPVSA-N 1 0 712.861 3.049 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CC[C@@H](O)C4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049777439 562680040 /nfs/dbraw/zinc/68/00/40/562680040.db2.gz DPEWOEVHBFUSOR-XMMPIXPASA-N 1 0 712.861 3.049 1 0 KGAFRO C[C@@H](NC(=O)c1cc(COC[C@]([NH3+])(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000049777507 562680127 /nfs/dbraw/zinc/68/01/27/562680127.db2.gz KWOISCWHVUWIQV-PIIWDFAUSA-N 1 0 543.661 3.162 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)nn2CCC[NH+]2CCC(N3CCCC3=O)CC2)C1 ZINC000049778023 562680781 /nfs/dbraw/zinc/68/07/81/562680781.db2.gz LSWBYDIMJFGSNE-UHFFFAOYSA-N 1 0 712.861 3.314 1 0 KGAFRO CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)N1CC[NH2+]CC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049778384 562681226 /nfs/dbraw/zinc/68/12/26/562681226.db2.gz NUVLHUJQZOHWFZ-VBTAUBHQSA-N 1 0 678.900 3.378 1 0 KGAFRO CCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C[N@H+](C)CCc1ccccn1 ZINC000049780272 562681525 /nfs/dbraw/zinc/68/15/25/562681525.db2.gz NTRQJBUFQQDXRD-XLDNGHKCSA-N 1 0 653.828 3.357 1 0 KGAFRO C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)cc2)nc(C2CCOCC2)n1 ZINC000049780290 562681562 /nfs/dbraw/zinc/68/15/62/562681562.db2.gz DZZPVIOERIZDNA-OAQYLSRUSA-N 1 0 573.702 3.449 1 0 KGAFRO C[C@@H]1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3)cc2)nc(N2CCOC[C@H]2C)n1 ZINC000049780588 562682003 /nfs/dbraw/zinc/68/20/03/562682003.db2.gz JODYFYSTHIYITN-DHIUTWEWSA-N 1 0 587.729 3.385 1 0 KGAFRO CNC(=O)CSc1cc(-c2nn(CCC[NH+]3CCC(N4CCCC4=O)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1C(F)(F)F ZINC000049780759 562682183 /nfs/dbraw/zinc/68/21/83/562682183.db2.gz MRRQVMXIWWPECM-UHFFFAOYSA-N 1 0 656.797 3.202 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CC[C@@H](O)C4)c3)nn2C[C@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049780876 562682381 /nfs/dbraw/zinc/68/23/81/562682381.db2.gz OYXMEFKTEQQIOT-JWQCQUIFSA-N 1 0 722.856 3.207 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CC[C@@H](O)C4)c3)nn2C[C@@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049780879 562682373 /nfs/dbraw/zinc/68/23/73/562682373.db2.gz OYXMEFKTEQQIOT-RPBOFIJWSA-N 1 0 722.856 3.207 1 0 KGAFRO CN1CC[NH+](CCn2ccc3c2nc(-c2ccc(NC(=O)Nc4ccncc4)cc2)nc3N2CCOCC2)CC1 ZINC000049780963 562682450 /nfs/dbraw/zinc/68/24/50/562682450.db2.gz PJNNGEPEBZKRBF-UHFFFAOYSA-N 1 0 541.660 3.221 1 0 KGAFRO O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CC[N@H+](CCC2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000049781024 562682506 /nfs/dbraw/zinc/68/25/06/562682506.db2.gz QLNJNUZPEUVIHO-HSZRJFAPSA-N 1 0 566.646 3.117 1 0 KGAFRO CONC(=O)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4cccnc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049783758 562683246 /nfs/dbraw/zinc/68/32/46/562683246.db2.gz BWBYDAOVOQPPDO-UHFFFAOYSA-N 1 0 543.632 3.245 1 0 KGAFRO O=C(NCc1ccc(Cl)cc1)c1cn2c(CCN3CCC[NH2+]CC3)cc3cc(CN4CCOCC4)cc(c32)c1=O ZINC000049784025 562683395 /nfs/dbraw/zinc/68/33/95/562683395.db2.gz RUPKOISBAYUEOC-UHFFFAOYSA-N 1 0 562.114 3.144 1 0 KGAFRO CC1(C)O[C@@H]2[C@H](C[NH2+]CCNC(=O)OCc3ccccc3)O[C@H](CC(=O)NCCc3c[nH]c4ccccc34)[C@@H]2O1 ZINC000049784064 562683413 /nfs/dbraw/zinc/68/34/13/562683413.db2.gz SEDMPYREHODCFH-JWNHKAHSSA-N 1 0 550.656 3.020 1 0 KGAFRO CC1(C)O[C@@H]2[C@H](C[NH2+]Cc3nc4ccccc4[nH]3)O[C@H](CC(=O)NCCc3c[nH]c4ccccc34)[C@@H]2O1 ZINC000049784264 562683521 /nfs/dbraw/zinc/68/35/21/562683521.db2.gz OOGNSULGOLVSNF-GXVHRJHYSA-N 1 0 503.603 3.170 1 0 KGAFRO [NH3+]CCc1cc2cc(c1)CNC(=O)c1coc(n1)-c1coc(n1)-c1cccc(n1)-c1nc(co1)-c1nc(co1)C(=O)NC2 ZINC000049784283 562683534 /nfs/dbraw/zinc/68/35/34/562683534.db2.gz BFGSHKYRAHFQNR-UHFFFAOYSA-N 1 0 578.545 3.376 1 0 KGAFRO O=C(NCCO)Nc1ccc(-c2nc3c(cnn3C3CC[NH+](Cc4ccccc4)CC3)c(N3CCOCC3)n2)cc1 ZINC000049784925 562683820 /nfs/dbraw/zinc/68/38/20/562683820.db2.gz ZZCOJCXQAHQFAH-UHFFFAOYSA-N 1 0 556.671 3.281 1 0 KGAFRO CC1(C)O[C@@H]2[C@H](C[NH2+]CCc3nc4ccccc4[nH]3)O[C@H](CC(=O)NCCc3c[nH]c4ccccc34)[C@@H]2O1 ZINC000049784955 562683887 /nfs/dbraw/zinc/68/38/87/562683887.db2.gz PQTNTPJTGGDFNX-YFQNEARWSA-N 1 0 517.630 3.213 1 0 KGAFRO O=C(CO)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)nn2C[C@@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049793245 562684631 /nfs/dbraw/zinc/68/46/31/562684631.db2.gz WAWVBVJOBWMYGT-VWLOTQADSA-N 1 0 702.800 3.032 1 0 KGAFRO O=C(CO)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)nn2C[C@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049793246 562684657 /nfs/dbraw/zinc/68/46/57/562684657.db2.gz WAWVBVJOBWMYGT-RUZDIDTESA-N 1 0 702.800 3.032 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CC[C@H](O)C4)c3)nn2C[C@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049793247 562684655 /nfs/dbraw/zinc/68/46/55/562684655.db2.gz OYXMEFKTEQQIOT-LOSJGSFVSA-N 1 0 722.856 3.207 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CC[C@H](O)C4)c3)nn2C[C@@H](O)C[NH+]2CCC(c3ccccn3)CC2)C1 ZINC000049793248 562684629 /nfs/dbraw/zinc/68/46/29/562684629.db2.gz OYXMEFKTEQQIOT-DQEYMECFSA-N 1 0 722.856 3.207 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCOCC4)c3)nn2C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000049793784 562685195 /nfs/dbraw/zinc/68/51/95/562685195.db2.gz GBURRCYNBGYDSP-JOCHJYFZSA-N 1 0 631.787 3.158 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCOCC4)c3)nn2C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000049793785 562685152 /nfs/dbraw/zinc/68/51/52/562685152.db2.gz GBURRCYNBGYDSP-QFIPXVFZSA-N 1 0 631.787 3.158 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@H](O)CN2CCOCC2)C1 ZINC000049802150 562685490 /nfs/dbraw/zinc/68/54/90/562685490.db2.gz FFJJVTRBWFBRSG-JOCHJYFZSA-N 1 0 631.787 3.158 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC[NH+]4CCCCC4)c3)nn2C[C@@H](O)CN2CCOCC2)C1 ZINC000049802151 562685473 /nfs/dbraw/zinc/68/54/73/562685473.db2.gz FFJJVTRBWFBRSG-QFIPXVFZSA-N 1 0 631.787 3.158 1 0 KGAFRO C[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1nc(-c2ccc(C(F)(F)F)c(SCC(=O)N3CCOCC3)c2)c2c1CCN(S(C)(=O)=O)C2 ZINC000049802174 562685567 /nfs/dbraw/zinc/68/55/67/562685567.db2.gz HCWXJCDBLQPFAD-UNMCSNQZSA-N 1 0 659.797 3.073 1 0 KGAFRO C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1nc(-c2ccc(C(F)(F)F)c(SCC(=O)N3CCOCC3)c2)c2c1CCN(S(C)(=O)=O)C2 ZINC000049802175 562685554 /nfs/dbraw/zinc/68/55/54/562685554.db2.gz HCWXJCDBLQPFAD-RBBKRZOGSA-N 1 0 659.797 3.073 1 0 KGAFRO CN(CCc1ccccc1)C(=O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@@H+](CC2CC2)CC[C@]513 ZINC000049802986 562685996 /nfs/dbraw/zinc/68/59/96/562685996.db2.gz XTSYSSUSRFOCHS-ZZVPPEEFSA-N 1 0 512.650 3.440 1 0 KGAFRO COc1ccc(/C=C/C(=O)O[C@H]2C[C@]34CC[N@H+](C)[C@@]35C[C@H](O[C@]5(OC)[C@H]2OC)c2ccc(OC)c(O)c24)cc1O ZINC000049803144 562686020 /nfs/dbraw/zinc/68/60/20/562686020.db2.gz CDTWAPXUQYEAIP-YYRBTORNSA-N 1 0 553.608 3.289 1 0 in-vivo KGAFRO CC1=C(C(=O)NOCc2ccccc2)[C@@H](C(C)C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C(C)N1S(C)(=O)=O ZINC000049803685 562686216 /nfs/dbraw/zinc/68/62/16/562686216.db2.gz ZVIDZRYPRXMIFU-NHKHRBQYSA-N 1 0 624.804 3.170 1 0 KGAFRO CC1=C(C(=O)NOCc2ccccc2)[C@H](C(C)C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C(C)N1S(C)(=O)=O ZINC000049803686 562686184 /nfs/dbraw/zinc/68/61/84/562686184.db2.gz ZVIDZRYPRXMIFU-ZGIBFIJWSA-N 1 0 624.804 3.170 1 0 KGAFRO CC(=O)N[C@H]1CC(=O)OC[C@H](O)c2ccc3c(c2Cl)C2=CC=C[C@]2(O[C@@H]2OC(C)(C)[C@@H]([NH+](C)C)[C@@H](O)[C@H]2O)[C@@H]3Oc2c(O)cc1cc2Cl ZINC000049807444 562686377 /nfs/dbraw/zinc/68/63/77/562686377.db2.gz UOSXSYLUJCWXEX-POTPYSIGSA-N 1 0 705.588 3.486 1 0 KGAFRO CCOC(=O)CN1C(C)=C(C(=O)NOCc2ccccc2)[C@@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C1C ZINC000049807783 562686458 /nfs/dbraw/zinc/68/64/58/562686458.db2.gz YTKRBAXKPYDSRW-PWUSVURUSA-N 1 0 604.748 3.138 1 0 KGAFRO CCOC(=O)CN1C(C)=C(C(=O)NOCc2ccccc2)[C@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C1C ZINC000049807784 562686480 /nfs/dbraw/zinc/68/64/80/562686480.db2.gz YTKRBAXKPYDSRW-MXUAVAHLSA-N 1 0 604.748 3.138 1 0 KGAFRO CC(C)OC(=O)CN1C=C(C(=O)N[C@@H](C)c2ccccc2)[C@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C1 ZINC000049807793 562686489 /nfs/dbraw/zinc/68/64/89/562686489.db2.gz RZQUFKGAXOEZNP-ODJQGHGISA-N 1 0 588.749 3.375 1 0 KGAFRO CC(C)OC(=O)CN1C=C(C(=O)N[C@@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C1 ZINC000049807794 562686468 /nfs/dbraw/zinc/68/64/68/562686468.db2.gz RZQUFKGAXOEZNP-AALPPGOASA-N 1 0 588.749 3.375 1 0 KGAFRO CC(C)OC(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C1 ZINC000049807795 562686498 /nfs/dbraw/zinc/68/64/98/562686498.db2.gz RZQUFKGAXOEZNP-SVIHCMKNSA-N 1 0 588.749 3.375 1 0 KGAFRO CC(C)OC(=O)CN1C=C(C(=O)N[C@H](C)c2ccccc2)[C@@H](C)C(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C1 ZINC000049807796 562686477 /nfs/dbraw/zinc/68/64/77/562686477.db2.gz RZQUFKGAXOEZNP-PLSLCPROSA-N 1 0 588.749 3.375 1 0 KGAFRO CC(C)[C@H]([NH3+])C(=O)O[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000049832815 562687244 /nfs/dbraw/zinc/68/72/44/562687244.db2.gz GPEOVJJTDGGKOQ-NFXGQCGJSA-N 1 0 712.936 3.401 1 0 KGAFRO 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ZINC000049853466 562688934 /nfs/dbraw/zinc/68/89/34/562688934.db2.gz SDVIJSYVKMOBBP-BBBCUWFFSA-N 1 0 594.778 3.164 1 0 KGAFRO CCC[C@H]1C(C(=O)NOCc2ccccc2)=C(C)N(S(C)(=O)=O)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1 ZINC000049853490 562688923 /nfs/dbraw/zinc/68/89/23/562688923.db2.gz AMLMIHYWWUTQAK-SSBOKUKZSA-N 1 0 624.804 3.314 1 0 KGAFRO CCC[C@@H]1C(C(=O)NOCc2ccccc2)=C(C)N(S(C)(=O)=O)C(C)=C1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C1CC1 ZINC000049853491 562688944 /nfs/dbraw/zinc/68/89/44/562688944.db2.gz AMLMIHYWWUTQAK-YTCPBCGMSA-N 1 0 624.804 3.314 1 0 KGAFRO CS(=O)(=O)Nc1cc(OC[C@@H](O)C[NH2+]CCc2ccc(NC3CCN(C(=O)NCc4cc(F)ccc4F)CC3)cc2)ccc1O ZINC000049864895 562689312 /nfs/dbraw/zinc/68/93/12/562689312.db2.gz HTTMLQPEHHEAOV-SANMLTNESA-N 1 0 647.745 3.400 1 0 KGAFRO COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049867112 562689341 /nfs/dbraw/zinc/68/93/41/562689341.db2.gz ZETHWWBQKDKSDJ-BVAGGSTKSA-N 1 0 532.597 3.008 1 0 KGAFRO COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000049867115 562689362 /nfs/dbraw/zinc/68/93/62/562689362.db2.gz ZETHWWBQKDKSDJ-OZXSUGGESA-N 1 0 532.597 3.008 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049871999 562689692 /nfs/dbraw/zinc/68/96/92/562689692.db2.gz GOVFYIPWKUFSHK-KYBMZIDPSA-N 1 0 652.840 3.348 1 0 KGAFRO CC(C)Oc1ccccc1N1CC[NH+](CCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000049878352 562690580 /nfs/dbraw/zinc/69/05/80/562690580.db2.gz QITGGFARWVKHMB-UHFFFAOYSA-N 1 0 569.106 3.452 1 0 KGAFRO CCOc1ccccc1N1CC[NH+](CCCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000049878399 562690588 /nfs/dbraw/zinc/69/05/88/562690588.db2.gz NHILJOJYEYHQHF-UHFFFAOYSA-N 1 0 555.079 3.063 1 0 KGAFRO COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCOc1ccc(CC[NH3+])cc1Br)=NO2 ZINC000049878489 562690633 /nfs/dbraw/zinc/69/06/33/562690633.db2.gz NMQGCYQSHLBLKC-PZJWPPBQSA-N 1 0 638.151 3.257 1 0 KGAFRO CCCN1CC[C@H]([NH2+]Cc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000049881830 562691215 /nfs/dbraw/zinc/69/12/15/562691215.db2.gz QCBRPSGOJNPXNN-XZOQPEGZSA-N 1 0 537.652 3.498 1 0 KGAFRO CCCN1CC[C@@H]([NH2+]Cc2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000049881831 562691158 /nfs/dbraw/zinc/69/11/58/562691158.db2.gz QCBRPSGOJNPXNN-DHIUTWEWSA-N 1 0 537.652 3.498 1 0 KGAFRO CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H]([NH3+])CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000049881882 562691246 /nfs/dbraw/zinc/69/12/46/562691246.db2.gz LFPCXKIHMSUMPT-CDXJDZJCSA-N 1 0 543.633 3.243 1 0 KGAFRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 ZINC000049888673 562691350 /nfs/dbraw/zinc/69/13/50/562691350.db2.gz MMDVYTNVMZTCRL-FCHUYYIVSA-N 1 0 551.635 3.138 1 0 KGAFRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(SC)cc2)[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 ZINC000049888674 562691361 /nfs/dbraw/zinc/69/13/61/562691361.db2.gz MMDVYTNVMZTCRL-FGZHOGPDSA-N 1 0 551.635 3.138 1 0 KGAFRO COc1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)c3ccc(Cl)c(Cl)c3)[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000049888950 562691624 /nfs/dbraw/zinc/69/16/24/562691624.db2.gz ZMJUQDVSPDXHHZ-FQEVSTJZSA-N 1 0 555.528 3.436 1 0 KGAFRO CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c3=O)cc1 ZINC000049888975 562691682 /nfs/dbraw/zinc/69/16/82/562691682.db2.gz JWXTXOCMPLBLGT-HKBQPEDESA-N 1 0 674.762 3.219 1 0 KGAFRO C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC[C@H](C)C[N@@H+]1C ZINC000049898268 562692379 /nfs/dbraw/zinc/69/23/79/562692379.db2.gz GRPUWGWLJURVLD-BFSGSYDSSA-N 1 0 591.830 3.376 1 0 KGAFRO CC(C)[C@H]([NH3+])C(=O)O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)CN1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000049898279 562692385 /nfs/dbraw/zinc/69/23/85/562692385.db2.gz JCHBOWJMADMTND-NFXGQCGJSA-N 1 0 712.936 3.401 1 0 KGAFRO C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000049898289 562692421 /nfs/dbraw/zinc/69/24/21/562692421.db2.gz XMLLJGHZPHTUKK-ZOODYHDESA-N 1 0 575.787 3.111 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O ZINC000049898806 562692867 /nfs/dbraw/zinc/69/28/67/562692867.db2.gz RVBUBWGVXJZPJO-GIFUDOJISA-N 1 0 688.829 3.445 1 0 in-vivo KGAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1cccc(Cl)c1)[C@H](O)C[NH2+]C1CCOCC1)cc3N(C)S(=O)(=O)CC2 ZINC000049908039 562693403 /nfs/dbraw/zinc/69/34/03/562693403.db2.gz IVRFYKXNEISSFT-AHKZPQOWSA-N 1 0 589.158 3.107 1 0 KGAFRO CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=S)SC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O ZINC000049916589 562693525 /nfs/dbraw/zinc/69/35/25/562693525.db2.gz UICXMWWBLBGSGT-YDRHQVRPSA-N 1 0 679.939 3.187 1 0 KGAFRO Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC(C)(C)C(=O)N4CCN(C(=O)CN5CC[NH2+]CC5)CC4)c3Cl)c2n1 ZINC000049938256 562695140 /nfs/dbraw/zinc/69/51/40/562695140.db2.gz JERJSCDMQAAUEA-UHFFFAOYSA-N 1 0 677.655 3.062 1 0 KGAFRO Cc1cc(C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)cc(C)c1O ZINC000049942341 562695479 /nfs/dbraw/zinc/69/54/79/562695479.db2.gz DAHITVLHYSLLFU-ZFOKTMFVSA-N 1 0 688.829 3.445 1 0 in-vivo KGAFRO COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)([NH3+])Cc3ccc4c(c3)OCO4)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000049949689 562695740 /nfs/dbraw/zinc/69/57/40/562695740.db2.gz ZAIRTLMYENNEGG-NGUAWCRTSA-N 1 0 607.133 3.435 1 0 KGAFRO O=c1nc2[nH]c3ccc(OCCCS(=O)(=O)N4CCN(CCC5CCCCC5)CC4)cc3cc-2[nH]1 ZINC000053006751 562696099 /nfs/dbraw/zinc/69/60/99/562696099.db2.gz GVMJHQLUQJFKIO-UHFFFAOYSA-N 1 0 501.653 3.091 1 0 KGAFRO CNC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)ncc2c1=O ZINC000053025960 562696137 /nfs/dbraw/zinc/69/61/37/562696137.db2.gz SNYPHRBZHRBBDZ-UHFFFAOYSA-N 1 0 509.614 3.124 1 0 KGAFRO Cc1cc(CNC(=O)c2nn(C)c3c2CCc2cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4)nc2-3)ccn1 ZINC000053226666 562696606 /nfs/dbraw/zinc/69/66/06/562696606.db2.gz BMPXFYMECYEYOL-UHFFFAOYSA-N 1 0 523.645 3.105 1 0 in-vitro KGAFRO CCc1c2c(nc3ccc(OCC[n+]4cccc(C)c4)cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000053243601 562696777 /nfs/dbraw/zinc/69/67/77/562696777.db2.gz NDUOFAOURIFGDE-PMERELPUSA-N 1 0 512.586 3.317 1 0 KGAFRO CCc1c2c(nc3ccc(OCCC[n+]4ccccc4)cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000053244184 562696879 /nfs/dbraw/zinc/69/68/79/562696879.db2.gz CFERQBUKAROHBB-PMERELPUSA-N 1 0 512.586 3.399 1 0 KGAFRO CCc1c2c(nc3ccc(OCC[n+]4cccc(F)c4)cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000053244192 562696870 /nfs/dbraw/zinc/69/68/70/562696870.db2.gz ZMEZORBKNLHVPR-LJAQVGFWSA-N 1 0 516.549 3.148 1 0 KGAFRO CCc1c2c(nc3ccc(OCC[n+]4cccc(C(C)=O)c4)cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000053246980 562696893 /nfs/dbraw/zinc/69/68/93/562696893.db2.gz HRJRHZCWHNRSGM-HKBQPEDESA-N 1 0 540.596 3.211 1 0 KGAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccc(F)cc2C(=O)NC[C@@H](O)CO)n1 ZINC000053275884 562697012 /nfs/dbraw/zinc/69/70/12/562697012.db2.gz SAWLOYCVNOMZOQ-OAQYLSRUSA-N 1 0 592.676 3.206 1 0 KGAFRO COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N(C)CCC[NH+](C)C)[C@H]3C(=O)OC[C@@H]32)OCO4)cc(OC)c1O ZINC000053296774 562697368 /nfs/dbraw/zinc/69/73/68/562697368.db2.gz LYNKEYMHWPBUEJ-MUWNDDQRSA-N 1 0 542.585 3.134 1 0 KGAFRO COCCOCO[C@]1(C)CC[N@@H+]2C[C@@]34C[C@]5(c6ccc7c(c6NC5=O)OC=CC(C)(C)O7)C(C)(C)[C@H]3C[C@]21C(=O)N4C ZINC000058482467 562698059 /nfs/dbraw/zinc/69/80/59/562698059.db2.gz VEPRTCLPNWCXAQ-JMMXKRHNSA-N 1 0 581.710 3.441 1 0 KGAFRO CN(C)c1cccc2c1cccc2S(=O)(=O)N1CCN(c2ccnc(-n3ccnc3)n2)[C@@H](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000058491927 562698196 /nfs/dbraw/zinc/69/81/96/562698196.db2.gz PGJNLWRKGQTXCD-DEOSSOPVSA-N 1 0 654.753 3.196 1 0 KGAFRO CC[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCc1ccccc1 ZINC000058500018 562698275 /nfs/dbraw/zinc/69/82/75/562698275.db2.gz XKBIGLITSHIYJL-LIVOIKKVSA-N 1 0 719.887 3.331 1 0 KGAFRO O=C(N[C@@H](CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C(F)F)cn3)C[C@H]2C1)c1cccc(F)c1)[C@H]1CCOC1 ZINC000058502101 562698285 /nfs/dbraw/zinc/69/82/85/562698285.db2.gz LRWGIAIRNZZPHR-QXUYBEEESA-N 1 0 516.564 3.446 1 0 KGAFRO CC[N@H+](CCCc1ccc(F)cc1)C[C@H]1OC(=O)N(C)C[C@@]1(C)NC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000058536277 562698722 /nfs/dbraw/zinc/69/87/22/562698722.db2.gz JPDQWWXKNYFGDS-YIXXDRMTSA-N 1 0 538.628 3.302 1 0 KGAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(N3CCNC3=O)c2)CCCCC1 ZINC000058538297 562698831 /nfs/dbraw/zinc/69/88/31/562698831.db2.gz FKHMBXUPOKQOFP-LOSJGSFVSA-N 1 0 500.590 3.352 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCC[NH2+]Cc1ccccc1)C(=O)[O-] ZINC000058540849 562698920 /nfs/dbraw/zinc/69/89/20/562698920.db2.gz JSIHJYXAUYNRRM-CHQNGUEUSA-N 1 0 586.733 3.362 1 0 KGAFRO CNC(=O)c1ccc(OC)c(OCCN2CC[NH2+]CC2)c1-c1c(C(=O)NC)ccc(OC)c1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000058548731 562699154 /nfs/dbraw/zinc/69/91/54/562699154.db2.gz GDNLLYJQLDGCGP-UHFFFAOYSA-N 1 0 658.127 3.184 1 0 KGAFRO CCCN1CC[C@@H]([NH2+]Cc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 ZINC000058549745 562699160 /nfs/dbraw/zinc/69/91/60/562699160.db2.gz DTVGIALKWCQVQS-PKTZIBPZSA-N 1 0 537.652 3.498 1 0 KGAFRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 ZINC000058549894 562699135 /nfs/dbraw/zinc/69/91/35/562699135.db2.gz MMDVYTNVMZTCRL-YADHBBJMSA-N 1 0 551.635 3.138 1 0 KGAFRO COc1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)c3ccc(Cl)c(Cl)c3)[C@H](C[NH+]3CCCC3)C2)c1 ZINC000058553281 562699211 /nfs/dbraw/zinc/69/92/11/562699211.db2.gz ZMJUQDVSPDXHHZ-HXUWFJFHSA-N 1 0 555.528 3.436 1 0 KGAFRO CCCN1CC[C@@H]([NH2+]Cc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000058553489 562699228 /nfs/dbraw/zinc/69/92/28/562699228.db2.gz QCBRPSGOJNPXNN-PKTZIBPZSA-N 1 0 537.652 3.498 1 0 KGAFRO c1ccc(Cn2nnnc2[C@@H](c2ccc(CN3CCOCC3)cc2)N2CCC[N@@H+](C3CCC3)CC2)cc1 ZINC000058575574 562699614 /nfs/dbraw/zinc/69/96/14/562699614.db2.gz VRLKJTABRYUEQI-MUUNZHRXSA-N 1 0 501.679 3.203 1 0 KGAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NS(=O)(=O)Cc2ccccc2)cc1 ZINC000058581013 562699736 /nfs/dbraw/zinc/69/97/36/562699736.db2.gz DJNNZKJZFCRFRX-FTJBHMTQSA-N 1 0 553.729 3.036 1 0 in-vitro KGAFRO CC[NH2+]CCNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@H]2c3ccccc3C[C@H]2O)c(C)c1 ZINC000058582662 562699986 /nfs/dbraw/zinc/69/99/86/562699986.db2.gz QWIMGFUQWCHOOH-SQKWSBCUSA-N 1 0 717.933 3.247 1 0 in-vivo KGAFRO [NH3+][C@@H](Cc1c(F)cc(O)cc1F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCC[NH2+]Cc1ccccc1)C(=O)[O-] ZINC000058582872 562699974 /nfs/dbraw/zinc/69/99/74/562699974.db2.gz LJRXUMNWBYPTNF-AWCRTANDSA-N 1 0 594.659 3.023 1 0 KGAFRO CC(C)NC(=O)Cn1c(=O)c2cc(OCCCN3CC[N@@H+]4CCC[C@@H]4C3)cn2cc1-c1cccc(Cl)c1 ZINC000058582936 562700012 /nfs/dbraw/zinc/70/00/12/562700012.db2.gz HUSBPZVSDQYUSW-HSZRJFAPSA-N 1 0 526.081 3.495 1 0 KGAFRO COCC[N@@H+]1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1 ZINC000058582983 562700035 /nfs/dbraw/zinc/70/00/35/562700035.db2.gz XHRMHMSJMTYMOL-SFTDATJTSA-N 1 0 512.969 3.402 1 0 KGAFRO Cc1ccc(C(=O)OCC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1 ZINC000058590872 562700331 /nfs/dbraw/zinc/70/03/31/562700331.db2.gz RJHOPNSDBWXJGQ-SVBPBHIXSA-N 1 0 587.677 3.007 1 0 KGAFRO CC(C)NC(=O)Cn1c(=O)c2cc(OCCCN3CC[N@@H+]4CCC[C@H]4C3)cn2cc1-c1cccc(Cl)c1 ZINC000058591169 562700412 /nfs/dbraw/zinc/70/04/12/562700412.db2.gz HUSBPZVSDQYUSW-QHCPKHFHSA-N 1 0 526.081 3.495 1 0 KGAFRO NC(=O)CCNC(=O)CCCCCCC(=O)NC(=[NH2+])NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000058592404 562700604 /nfs/dbraw/zinc/70/06/04/562700604.db2.gz PDRWQVBFNOAQSU-WJOKGBTCSA-N 1 0 699.853 3.078 1 0 KGAFRO [NH2+]=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCC(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000058592614 562700635 /nfs/dbraw/zinc/70/06/35/562700635.db2.gz HTERAJKKERWGLT-MGBGTMOVSA-N 1 0 737.833 3.212 1 0 KGAFRO Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000058592757 562700621 /nfs/dbraw/zinc/70/06/21/562700621.db2.gz AHCLHJFPKBHMDV-SVBPBHIXSA-N 1 0 601.704 3.315 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 ZINC000058601952 562700873 /nfs/dbraw/zinc/70/08/73/562700873.db2.gz KWJAFFUEDWUZAR-MWCICDNOSA-N 1 0 649.833 3.041 1 0 KGAFRO CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(N3CCOCC3=O)c2)CCCCC1 ZINC000058655573 562701357 /nfs/dbraw/zinc/70/13/57/562701357.db2.gz HKSCWIPGCWNQID-IZZNHLLZSA-N 1 0 515.601 3.185 1 0 KGAFRO COC1CC[NH+](CCCOc2ccc3nc(-c4ccccc4)n(CC(=O)NCC4CC4)c(=O)c3c2)CC1 ZINC000058661041 562701435 /nfs/dbraw/zinc/70/14/35/562701435.db2.gz NKTVDQCCLDNZCS-UHFFFAOYSA-N 1 0 504.631 3.469 1 0 KGAFRO CN1c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3)nc2N(C2CCCC2)CC(F)(F)C1=O ZINC000059223233 562701903 /nfs/dbraw/zinc/70/19/03/562701903.db2.gz BAVKHKJJAGWXBX-UHFFFAOYSA-N 1 0 513.593 3.405 1 0 KGAFRO CC[NH+](CC)CCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(F)c1 ZINC000059578658 562702067 /nfs/dbraw/zinc/70/20/67/562702067.db2.gz ACBPNLRWLXSYMI-UHFFFAOYSA-N 1 0 546.709 3.386 1 0 KGAFRO CC[NH+](CC)CCN(CC[NH2+]CCc1ccc([O-])c2[nH]c(=O)sc21)C(=O)CCOCCc1cccc(OC)c1 ZINC000059578932 562702043 /nfs/dbraw/zinc/70/20/43/562702043.db2.gz JXQBXKNWQNHKFQ-UHFFFAOYSA-N 1 0 558.745 3.256 1 0 KGAFRO CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c54)C[C@H]3[N@H+](C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3CCCCC3)N2C1=O ZINC000059790604 562702268 /nfs/dbraw/zinc/70/22/68/562702268.db2.gz LQANNGJZHGHHEB-HJPBWRTMSA-N 1 0 617.791 3.445 1 0 KGAFRO O=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C[C@@]2(CO)SC3(CN12)CCN(c1cc[nH+]cc1)CC3 ZINC000060248531 562702625 /nfs/dbraw/zinc/70/26/25/562702625.db2.gz DHJUFJOVAVLNFT-SANMLTNESA-N 1 0 559.113 3.196 1 0 KGAFRO O=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C[C@]2(CO)SC3(CN12)CCN(c1cc[nH+]cc1)CC3 ZINC000060248533 562702603 /nfs/dbraw/zinc/70/26/03/562702603.db2.gz DHJUFJOVAVLNFT-AREMUKBSSA-N 1 0 559.113 3.196 1 0 KGAFRO C[NH+](C)CC1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1 ZINC000060325100 562702666 /nfs/dbraw/zinc/70/26/66/562702666.db2.gz HUUPFBKNECWODN-UHFFFAOYSA-N 1 0 505.278 3.201 1 0 KGAFRO CC[NH2+]CC1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1 ZINC000060325970 562702663 /nfs/dbraw/zinc/70/26/63/562702663.db2.gz CJUVOUSLWUAKSP-UHFFFAOYSA-N 1 0 505.278 3.249 1 0 KGAFRO C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CC[NH2+]CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060329094 562702896 /nfs/dbraw/zinc/70/28/96/562702896.db2.gz NXBQAOCIJIMVIJ-ZDUSSCGKSA-N 1 0 518.533 3.162 1 0 KGAFRO C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CC[NH2+]CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060329095 562702869 /nfs/dbraw/zinc/70/28/69/562702869.db2.gz NXBQAOCIJIMVIJ-CYBMUJFWSA-N 1 0 518.533 3.162 1 0 KGAFRO c1ccc(Cn2nnnc2[C@H](c2ccc(CN3CCOCC3)cc2)N2CCC[N@@H+](C3CCC3)CC2)cc1 ZINC000062225122 562704379 /nfs/dbraw/zinc/70/43/79/562704379.db2.gz VRLKJTABRYUEQI-NDEPHWFRSA-N 1 0 501.679 3.203 1 0 KGAFRO CC[C@@H](C)[NH2+]C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2c3c(cn2CC)CCS(=O)(=O)N(C)c3c1 ZINC000062233572 562704410 /nfs/dbraw/zinc/70/44/10/562704410.db2.gz YUZALEJJOXEEJU-FRPAHBMMSA-N 1 0 526.703 3.073 1 0 KGAFRO CCc1cn2c3c1cc(C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+][C@H](C)CC)cc3N(C)S(=O)(=O)CC2 ZINC000062233575 562704411 /nfs/dbraw/zinc/70/44/11/562704411.db2.gz WSZHJFHSCUWOJZ-YZXAJQSBSA-N 1 0 526.703 3.073 1 0 KGAFRO O=C(NCC[NH+]1CCC2(CC1)C(=O)NCN2c1ccc(Br)cc1)c1cnc2ccccc2c1 ZINC000064245740 562704594 /nfs/dbraw/zinc/70/45/94/562704594.db2.gz RASKUFRIXVZDBS-UHFFFAOYSA-N 1 0 508.420 3.156 1 0 KGAFRO O=C(N[C@@H](CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(C(F)F)cn3)C[C@H]2C1)c1cccc(F)c1)[C@@H]1CCOC1 ZINC000064264708 562704719 /nfs/dbraw/zinc/70/47/19/562704719.db2.gz LRWGIAIRNZZPHR-JFYQVNSESA-N 1 0 516.564 3.446 1 0 KGAFRO CS[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@@H](OCc2ccc3ccccc3c2)[C@H]1NC(=O)CC[NH3+] ZINC000064403861 562704939 /nfs/dbraw/zinc/70/49/39/562704939.db2.gz DFJVQWUUBCNWOV-MGDFUXISSA-N 1 0 510.656 3.224 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CC[C@@H](NC(=O)Cc2ccccc2)C[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O ZINC000064499235 562706013 /nfs/dbraw/zinc/70/60/13/562706013.db2.gz KQTBMWSEIIBSGS-KDWADUSMSA-N 1 0 609.771 3.256 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)Cc2ccccc2)C[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O ZINC000064503404 562706035 /nfs/dbraw/zinc/70/60/35/562706035.db2.gz KQTBMWSEIIBSGS-SLHNNEBYSA-N 1 0 609.771 3.256 1 0 KGAFRO O=C(NCC[NH+]1CCC2(CC1)C(=O)NCN2c1ccc(Br)cc1)c1cc2cc(F)ccc2[nH]1 ZINC000064503844 562706087 /nfs/dbraw/zinc/70/60/87/562706087.db2.gz JDLUSVQXUAJZDS-UHFFFAOYSA-N 1 0 514.399 3.228 1 0 KGAFRO CCS(=O)(=O)N1CCC([C@@H](CC[N@H+]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 ZINC000064513354 562706402 /nfs/dbraw/zinc/70/64/02/562706402.db2.gz QKGLJRWKELQVMG-VJGNERBWSA-N 1 0 539.746 3.333 1 0 KGAFRO CCS(=O)(=O)N1CCC([C@H](CC[N@H+]2C[C@H]3CN(C(=O)c4c(C)ncnc4C)C[C@H]3C2)c2ccccc2)CC1 ZINC000064513356 562706381 /nfs/dbraw/zinc/70/63/81/562706381.db2.gz QKGLJRWKELQVMG-KWXIBIRDSA-N 1 0 539.746 3.333 1 0 KGAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3ccccc3)C3CN(S(=O)(=O)C4CCCC4)C3)C[C@@H]2C1 ZINC000064513422 562706371 /nfs/dbraw/zinc/70/63/71/562706371.db2.gz MPHBRFVEAJJJEM-OARDWFSCSA-N 1 0 551.757 3.475 1 0 KGAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3ccccc3)C3CN(S(=O)(=O)C4CCCC4)C3)C[C@@H]2C1 ZINC000064513424 562706379 /nfs/dbraw/zinc/70/63/79/562706379.db2.gz MPHBRFVEAJJJEM-CERRFVOPSA-N 1 0 551.757 3.475 1 0 KGAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3ccccc3)C3CCN(S(=O)(=O)C4CC4)CC3)C[C@@H]2C1 ZINC000064513517 562706413 /nfs/dbraw/zinc/70/64/13/562706413.db2.gz OKWRNIKRTHZKHI-REUBFRLUSA-N 1 0 551.757 3.475 1 0 KGAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3ccccc3)C3CCN(S(=O)(=O)C4CC4)CC3)C[C@@H]2C1 ZINC000064513520 562706422 /nfs/dbraw/zinc/70/64/22/562706422.db2.gz OKWRNIKRTHZKHI-FULLSBAXSA-N 1 0 551.757 3.475 1 0 KGAFRO Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(NC4CC[NH+](C)CC4)ccc3OC(F)(F)F)ncc1CC2 ZINC000064513819 562706494 /nfs/dbraw/zinc/70/64/94/562706494.db2.gz WNSIYZQLZXMELB-UHFFFAOYSA-N 1 0 516.528 3.223 1 0 KGAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1cccc(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000064527010 562706740 /nfs/dbraw/zinc/70/67/40/562706740.db2.gz HXLQLJFWNKMGET-NVLPUFGLSA-N 1 0 608.784 3.402 1 0 in-vitro KGAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000064527367 562706869 /nfs/dbraw/zinc/70/68/69/562706869.db2.gz YPCZXKXNUAMVPU-NVLPUFGLSA-N 1 0 608.784 3.402 1 0 KGAFRO O=C(OC1([C@H]2COC[C@@H](CC3CC3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000064527582 562707022 /nfs/dbraw/zinc/70/70/22/562707022.db2.gz ZDDBSJXDOTZFGP-IFMALSPDSA-N 1 0 524.083 3.395 1 0 KGAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3cccc(F)c3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC000064527628 562707087 /nfs/dbraw/zinc/70/70/87/562707087.db2.gz PEJVCEUAQSWXGP-RMTZWNOUSA-N 1 0 543.709 3.082 1 0 in-vivo KGAFRO Cc1ncnc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3cccc(F)c3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC000064527630 562707048 /nfs/dbraw/zinc/70/70/48/562707048.db2.gz PEJVCEUAQSWXGP-GSLIJJQTSA-N 1 0 543.709 3.082 1 0 in-vivo KGAFRO COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@@H]4CCC[NH2+]4)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064528102 562707288 /nfs/dbraw/zinc/70/72/88/562707288.db2.gz LDIZHWCWJLVIEE-SFHVURJKSA-N 1 0 534.598 3.338 1 0 KGAFRO Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC000064528436 562707353 /nfs/dbraw/zinc/70/73/53/562707353.db2.gz NTXQSFSEZXNHJY-NXCFDTQHSA-N 1 0 541.714 3.106 1 0 KGAFRO Cc1cc(=O)oc(C)c1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@@H]2C1 ZINC000064528437 562707383 /nfs/dbraw/zinc/70/73/83/562707383.db2.gz NTXQSFSEZXNHJY-UODIDJSMSA-N 1 0 541.714 3.106 1 0 KGAFRO COc1cc(C(=O)c2ccc(-c3csc(NC(=O)C(C)(C)[NH3+])n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064528465 562707348 /nfs/dbraw/zinc/70/73/48/562707348.db2.gz MSODDOSDWBLAGR-UHFFFAOYSA-N 1 0 522.587 3.323 1 0 KGAFRO C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(C(=O)N[C@H](CN5CCOCC5)c5ccccc5)sc43)cc2)CC1 ZINC000064540285 562707721 /nfs/dbraw/zinc/70/77/21/562707721.db2.gz APULUFKDCXQRIE-RUZDIDTESA-N 1 0 573.723 3.432 1 0 KGAFRO Cc1ccc2c(cccc2N2CC[NH+](CCc3cccc4c3OCc3c(C(=O)N5CCOCC5)ncn3-4)CC2)n1 ZINC000064553044 562708219 /nfs/dbraw/zinc/70/82/19/562708219.db2.gz FUDKWFQKXWHRLB-UHFFFAOYSA-N 1 0 538.652 3.458 1 0 KGAFRO COc1ccc(CC(=O)NC2CC[NH+](CCCN3C(=O)CCc4cc(F)c(F)cc43)CC2)cc1OC ZINC000064553768 562708280 /nfs/dbraw/zinc/70/82/80/562708280.db2.gz XGOZHCNNVCVDJO-UHFFFAOYSA-N 1 0 501.574 3.475 1 0 KGAFRO Cc1ccc(CNC(=O)Cc2cccc(C[C@@H](C)[NH2+]C[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)cc1C ZINC000064553954 562708310 /nfs/dbraw/zinc/70/83/10/562708310.db2.gz XCDHVLSPYCOLFS-PIKZIKFNSA-N 1 0 539.698 3.494 1 0 KGAFRO O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCC[NH2+]CCc2ccc(Cl)cc2CN1 ZINC000064559196 562708329 /nfs/dbraw/zinc/70/83/29/562708329.db2.gz OIYQFNLVHLVBBJ-QHCPKHFHSA-N 1 0 543.499 3.015 1 0 KGAFRO CCOCCCn1c2cc(N3CCC[C@@](C)([NH3+])C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O ZINC000064559403 562708381 /nfs/dbraw/zinc/70/83/81/562708381.db2.gz KKBLHBODYUDSMX-RUZDIDTESA-N 1 0 506.022 3.087 1 0 KGAFRO C[C@H](Cc1cccc(CC(=O)NCC2CCCCC2)c1)[NH2+]C[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 ZINC000064564735 562708636 /nfs/dbraw/zinc/70/86/36/562708636.db2.gz CAVQPEZJDPLULZ-BCHFMIIMSA-N 1 0 517.692 3.257 1 0 KGAFRO C[C@H](Cc1cccc(CC(=O)NCCCc2ccccc2)c1)[NH2+]C[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 ZINC000064564768 562708614 /nfs/dbraw/zinc/70/86/14/562708614.db2.gz WNUBTKNYYAYBAW-PIKZIKFNSA-N 1 0 539.698 3.309 1 0 KGAFRO CCOc1ccccc1CNC(=O)Cc1cccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 ZINC000064564858 562708624 /nfs/dbraw/zinc/70/86/24/562708624.db2.gz XGNQEJUXRNBYCQ-HRFSGMKKSA-N 1 0 555.697 3.276 1 0 KGAFRO CC(C)(Cc1cccc(CC(=O)NCc2ccccc2)c1)[NH2+]C[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 ZINC000064564891 562708611 /nfs/dbraw/zinc/70/86/11/562708611.db2.gz VUAYCOBWTWJBCO-SANMLTNESA-N 1 0 525.671 3.267 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)OC)C(c1ccccc1)c1ccccc1)C1CCCCC1 ZINC000064624542 562708888 /nfs/dbraw/zinc/70/88/88/562708888.db2.gz UUPZYAHONNHULX-CJBSCAABSA-N 1 0 576.738 3.140 1 0 in-vitro KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21)C(C)C ZINC000064653762 562708924 /nfs/dbraw/zinc/70/89/24/562708924.db2.gz LAEIPUYJNBHTFF-QTMWPNOBSA-N 1 0 579.742 3.120 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21)C(C)C ZINC000064653763 562708927 /nfs/dbraw/zinc/70/89/27/562708927.db2.gz LAEIPUYJNBHTFF-ACNFANBVSA-N 1 0 579.742 3.120 1 0 KGAFRO C[NH2+][C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000064726034 562709062 /nfs/dbraw/zinc/70/90/62/562709062.db2.gz ICZPJFGVMHFQHA-VYCLJVNGSA-N 1 0 512.654 3.219 1 0 KGAFRO C[NH2+][C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000064726040 562709059 /nfs/dbraw/zinc/70/90/59/562709059.db2.gz ICZPJFGVMHFQHA-GDKKVTFASA-N 1 0 512.654 3.219 1 0 KGAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCc3c4c[nH]nc4ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000064744145 562709125 /nfs/dbraw/zinc/70/91/25/562709125.db2.gz ZSKFBGIRLVOQAD-MUAVYFROSA-N 1 0 556.729 3.428 1 0 in-vitro KGAFRO CCCN1C(=O)OC[C@@H]1Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H]([NH2+]Cc3cccc(C(C)C)c3)[C@H]2O)ccc1O ZINC000064744194 562709103 /nfs/dbraw/zinc/70/91/03/562709103.db2.gz JYNDAPHZRSRSGI-KAHNYGAISA-N 1 0 544.714 3.395 1 0 in-vitro KGAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000065731305 562709149 /nfs/dbraw/zinc/70/91/49/562709149.db2.gz RPKMHCAOERKVEC-DYTOPAQESA-N 1 0 620.750 3.229 1 0 in-vitro KGAFRO CNC(=O)c1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@H](C(=O)OC)C2)c(Cl)c1 ZINC000066066511 562709439 /nfs/dbraw/zinc/70/94/39/562709439.db2.gz ZVQHEZKGRFHDCT-QFIPXVFZSA-N 1 0 520.461 3.076 1 0 KGAFRO CCOC(=O)C(C)(C)Nc1ccc(CNC(=O)[C@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1 ZINC000066074359 562709803 /nfs/dbraw/zinc/70/98/03/562709803.db2.gz NFMXJIQAIOKIIO-IQGLISFBSA-N 1 0 566.646 3.335 1 0 KGAFRO CCOC(=O)C(C)(C)Nc1ccc(CNC(=O)[C@@H]2SCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)cc1 ZINC000066074360 562709749 /nfs/dbraw/zinc/70/97/49/562709749.db2.gz NFMXJIQAIOKIIO-CJAUYULYSA-N 1 0 566.646 3.335 1 0 KGAFRO CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000066077048 562710220 /nfs/dbraw/zinc/71/02/20/562710220.db2.gz XGRJRTOGBWFGNN-DOUMQJFESA-N 1 0 555.723 3.093 1 0 KGAFRO CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCN(Cc2ccccc2)C[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000066077050 562710239 /nfs/dbraw/zinc/71/02/39/562710239.db2.gz XGRJRTOGBWFGNN-GHPJVDHGSA-N 1 0 555.723 3.093 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[C@H]2[C@@H](Cc3ccccc3)C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O ZINC000066077632 562710334 /nfs/dbraw/zinc/71/03/34/562710334.db2.gz VDAXJVDOQRUPPG-QYAHMDMXSA-N 1 0 516.686 3.285 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H]1CCC[C@H]2[C@@H](Cc3ccccc3)C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O ZINC000066077634 562710314 /nfs/dbraw/zinc/71/03/14/562710314.db2.gz VDAXJVDOQRUPPG-FODFUQNVSA-N 1 0 516.686 3.285 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@](CC2CC2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 ZINC000066078356 562710403 /nfs/dbraw/zinc/71/04/03/562710403.db2.gz PUURDOGNQKUQBO-WTEVXDJOSA-N 1 0 510.601 3.482 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@](Cc2cccnc2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 ZINC000066079032 562710552 /nfs/dbraw/zinc/71/05/52/562710552.db2.gz LRJCEOAAYQUMHN-JPYYHWIRSA-N 1 0 547.622 3.319 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@](CCCF)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 ZINC000066080378 562710711 /nfs/dbraw/zinc/71/07/11/562710711.db2.gz UZWRRGVJNFNZSJ-WHLIWEHUSA-N 1 0 516.580 3.431 1 0 KGAFRO CN(C)S(=O)(=O)N1CCN(C2C[NH+](C[C@@H]3C[C@@]3(C(=O)N(C)Cc3ccc(F)cc3)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000066097221 562710764 /nfs/dbraw/zinc/71/07/64/562710764.db2.gz FFVBKVOXUHYWLQ-RBISFHTESA-N 1 0 612.599 3.157 1 0 KGAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C ZINC000066098542 562710937 /nfs/dbraw/zinc/71/09/37/562710937.db2.gz QRVNXVTYIYXPER-UHFFFAOYSA-N 1 0 501.591 3.411 1 0 KGAFRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](n3cc4c(n3)CCc3c-4sc(NC(N)=O)c3C(N)=O)C2)c(F)c1 ZINC000066098787 562711018 /nfs/dbraw/zinc/71/10/18/562711018.db2.gz UCUDBOVWZTVKCJ-INIZCTEOSA-N 1 0 525.610 3.234 1 0 KGAFRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](n3cc4c(n3)CCc3c-4sc(NC(N)=O)c3C(N)=O)C2)c(F)c1 ZINC000066098788 562711003 /nfs/dbraw/zinc/71/10/03/562711003.db2.gz UCUDBOVWZTVKCJ-MRXNPFEDSA-N 1 0 525.610 3.234 1 0 KGAFRO COc1ccccc1CNC(=O)Nc1cccc(CC[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1 ZINC000066098956 562710974 /nfs/dbraw/zinc/71/09/74/562710974.db2.gz XPPGERQSEMHJHQ-DEOSSOPVSA-N 1 0 502.571 3.430 1 0 KGAFRO COc1ccccc1CNC(=O)Nc1cccc(CC[NH2+]C[C@@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1 ZINC000066098959 562711015 /nfs/dbraw/zinc/71/10/15/562711015.db2.gz XPPGERQSEMHJHQ-XMMPIXPASA-N 1 0 502.571 3.430 1 0 KGAFRO C[NH+](C)CCSc1nc([C@H]2COc3ccc(C(=O)NCCN4CCOCC4)cc3C2)nc2ccc(-c3cn[nH]c3)cc21 ZINC000066100666 562711287 /nfs/dbraw/zinc/71/12/87/562711287.db2.gz FJBBTKNLUZFOHY-XMMPIXPASA-N 1 0 587.750 3.454 1 0 KGAFRO C[NH+](C)CCSc1nc([C@@H]2COc3ccc(C(=O)NCCN4CCOCC4)cc3C2)nc2ccc(-c3cn[nH]c3)cc21 ZINC000066100668 562711304 /nfs/dbraw/zinc/71/13/04/562711304.db2.gz FJBBTKNLUZFOHY-DEOSSOPVSA-N 1 0 587.750 3.454 1 0 KGAFRO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(OCCOCCOCCF)cc2)CC1 ZINC000066104908 562711784 /nfs/dbraw/zinc/71/17/84/562711784.db2.gz HAXCDBIFKSGOTN-UHFFFAOYSA-N 1 0 517.642 3.409 1 0 KGAFRO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Br)cc1 ZINC000066113603 562712225 /nfs/dbraw/zinc/71/22/25/562712225.db2.gz LDLTYJDBPIZPNW-FCHUYYIVSA-N 1 0 533.444 3.300 1 0 KGAFRO Cc1ccc(N2CC[NH+](CCCNC(=O)Cn3c(=O)c4cccn4c4cc(Br)cnc43)CC2)cc1 ZINC000066129085 562712844 /nfs/dbraw/zinc/71/28/44/562712844.db2.gz HFZZRKCCBDENOM-UHFFFAOYSA-N 1 0 537.462 3.049 1 0 KGAFRO Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000066129487 562712941 /nfs/dbraw/zinc/71/29/41/562712941.db2.gz NYZNRIUQDUFAGX-UHFFFAOYSA-N 1 0 506.672 3.416 1 0 KGAFRO COc1ccccc1N1CC[NH+](C[C@H](O)CCNC(=O)c2cc3cc(I)ccc3[nH]2)CC1 ZINC000066137113 562713244 /nfs/dbraw/zinc/71/32/44/562713244.db2.gz UAHANCCWNZGFSQ-LJQANCHMSA-N 1 0 548.425 3.084 1 0 KGAFRO COc1ccccc1N1CC[NH+](C[C@@H](O)CCNC(=O)c2cc3cc(I)ccc3[nH]2)CC1 ZINC000066137115 562713273 /nfs/dbraw/zinc/71/32/73/562713273.db2.gz UAHANCCWNZGFSQ-IBGZPJMESA-N 1 0 548.425 3.084 1 0 KGAFRO COc1ccccc1N1CC[NH+](C[C@H](O)CCNC(=O)c2cc3cc(I)ccc3o2)CC1 ZINC000066151561 562713745 /nfs/dbraw/zinc/71/37/45/562713745.db2.gz WBKIGDGNXRRXNA-LJQANCHMSA-N 1 0 549.409 3.349 1 0 KGAFRO COc1ccccc1N1CC[NH+](C[C@@H](O)CCNC(=O)c2cc3cc(I)ccc3o2)CC1 ZINC000066151562 562713780 /nfs/dbraw/zinc/71/37/80/562713780.db2.gz WBKIGDGNXRRXNA-IBGZPJMESA-N 1 0 549.409 3.349 1 0 KGAFRO O=C(Cn1c(=O)c2cccn2c2cc(Br)cnc21)NCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000066156562 562713798 /nfs/dbraw/zinc/71/37/98/562713798.db2.gz KHBHPXDAFYEHON-UHFFFAOYSA-N 1 0 557.880 3.394 1 0 KGAFRO [NH3+]CNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O ZINC000066252104 562714682 /nfs/dbraw/zinc/71/46/82/562714682.db2.gz DBNMEXIIMCKJLF-UHFFFAOYSA-N 1 0 503.647 3.048 1 0 KGAFRO [NH3+]CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O ZINC000066252105 562714691 /nfs/dbraw/zinc/71/46/91/562714691.db2.gz BUFVCRHNPRXVHX-UHFFFAOYSA-N 1 0 517.674 3.090 1 0 KGAFRO [NH3+]CCCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O ZINC000066252106 562714675 /nfs/dbraw/zinc/71/46/75/562714675.db2.gz ZPQOTEJEFKQUOC-UHFFFAOYSA-N 1 0 531.701 3.480 1 0 KGAFRO O=C(CN1CC[NH2+]CC1)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2sc3ccccc3c21 ZINC000066259668 562715304 /nfs/dbraw/zinc/71/53/04/562715304.db2.gz RSSGDHZODCNBHR-UHFFFAOYSA-N 1 0 554.676 3.410 1 0 KGAFRO CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCCCC[NH3+])CN3c2ccccc2)cc1 ZINC000066259800 562715318 /nfs/dbraw/zinc/71/53/18/562715318.db2.gz LWOHMLRAMXHLMP-UHFFFAOYSA-N 1 0 519.690 3.120 1 0 KGAFRO O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)C1=O)N1CC[NH2+]CC1 ZINC000066260053 562715394 /nfs/dbraw/zinc/71/53/94/562715394.db2.gz FCLQTYQFECIMBU-UHFFFAOYSA-N 1 0 543.712 3.447 1 0 KGAFRO COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3nc(CN4CC[NH+](C)CC4)c[nH]3)c3nccnc23)c1F ZINC000068152925 562715849 /nfs/dbraw/zinc/71/58/49/562715849.db2.gz VNPIQVSGZHWJEP-UHFFFAOYSA-N 1 0 539.999 3.251 1 0 KGAFRO CC(C)CNC(=O)[C@@H]([NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@@H](C)O ZINC000068208822 562716062 /nfs/dbraw/zinc/71/60/62/562716062.db2.gz UZFAOTIMARRSKT-TYUOOWEOSA-N 1 0 665.857 3.026 1 0 in-vitro KGAFRO CC(C)C[NH2+]C[C@@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@H](C)O ZINC000068208825 562716030 /nfs/dbraw/zinc/71/60/30/562716030.db2.gz DCQRAHJGOCAAHA-ZGWOGYLFSA-N 1 0 651.874 3.499 1 0 KGAFRO CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cccc(C5CC[NH+](CC(N)=O)CC5)c4)nc23)cc1 ZINC000068247672 562716173 /nfs/dbraw/zinc/71/61/73/562716173.db2.gz AIJVXAYSTVLGQZ-UHFFFAOYSA-N 1 0 504.616 3.208 1 0 KGAFRO C[C@H](O)C[NH+]1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1 ZINC000068247675 562716196 /nfs/dbraw/zinc/71/61/96/562716196.db2.gz HUFMQXVFIMXNJK-IBGZPJMESA-N 1 0 506.632 3.046 1 0 KGAFRO O=C1c2cc(CC[NH+]3CCC(Cc4ccc(Br)c(OCCO)c4)CC3)ccc2OC[C@H]1O ZINC000068251392 562716260 /nfs/dbraw/zinc/71/62/60/562716260.db2.gz ACJLTODAAAIJTN-JOCHJYFZSA-N 1 0 504.421 3.253 1 0 KGAFRO COC(=O)C[C@](O)(Cc1ccccc1)C(=O)OC1=C2c3cc4c(cc3CC[N@@H+]3CCC[C@]23C=C1OC)OCO4 ZINC000070454222 560048509 /nfs/dbraw/zinc/04/85/09/560048509.db2.gz WAHNMIKDNXYEDN-XZWHSSHBSA-N 1 0 533.577 3.141 1 0 biogenic,in-vitro KGAFRO CC[C@@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)N(C)C)[C@H](C(C)C)Oc2ccc(cc2)/C=C\NC1=O ZINC000070454707 560048047 /nfs/dbraw/zinc/04/80/47/560048047.db2.gz NFJKQANKUCVGAW-OCTRJPFMSA-N 1 0 534.701 3.379 1 0 biogenic,in-vitro KGAFRO Nc1ccccc1NC(=O)CCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)Nc1ccccc1N ZINC000070631555 562716435 /nfs/dbraw/zinc/71/64/35/562716435.db2.gz LWMCQWCITXHNTR-NSGJQZOKSA-N 1 0 613.763 3.425 1 0 KGAFRO CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])CN(C(=O)c1ccc(Br)c(OCCCOC)c1)C(C)C ZINC000070631613 562716510 /nfs/dbraw/zinc/71/65/10/562716510.db2.gz FLYYEPGUPIYISO-COPCDDAFSA-N 1 0 544.531 3.346 1 0 KGAFRO COC(=O)[C@H]1CCCN1c1cn(CCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)nn1 ZINC000071281601 562716721 /nfs/dbraw/zinc/71/67/21/562716721.db2.gz IOPQXYNSFXKHRF-HSZRJFAPSA-N 1 0 558.615 3.290 1 0 KGAFRO COC(=O)[C@@H]1CCCN1c1cn(CCCOc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)nn1 ZINC000071281604 562716713 /nfs/dbraw/zinc/71/67/13/562716713.db2.gz IOPQXYNSFXKHRF-QHCPKHFHSA-N 1 0 558.615 3.290 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[N@H+](C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 ZINC000071281795 562716751 /nfs/dbraw/zinc/71/67/51/562716751.db2.gz MRJZQHBWCLENCQ-WHLIWEHUSA-N 1 0 513.605 3.075 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)(C(C)C)C1 ZINC000071294411 562716870 /nfs/dbraw/zinc/71/68/70/562716870.db2.gz FUWQOIIUPIVWPW-FOUBCARRSA-N 1 0 504.619 3.399 1 0 KGAFRO O=C1CN(c2ccc(N3CC[NH2+]CC3)cc2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000071294880 562717036 /nfs/dbraw/zinc/71/70/36/562717036.db2.gz UHPGIQNRUBLIGG-FYBSXPHGSA-N 1 0 535.604 3.196 1 0 KGAFRO O=C1CN(c2cccc(CN3CC[NH2+]CC3)c2)C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000071295023 562717100 /nfs/dbraw/zinc/71/71/00/562717100.db2.gz QTHQHVFTKBCVCU-MXBOTTGLSA-N 1 0 549.631 3.191 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)(C(C)C)C1 ZINC000071296083 562717407 /nfs/dbraw/zinc/71/74/07/562717407.db2.gz DFPBFLZCGLADSJ-FOUBCARRSA-N 1 0 504.619 3.399 1 0 KGAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(c3ncncc3C3CC3)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071296456 562717564 /nfs/dbraw/zinc/71/75/64/562717564.db2.gz MMCGENFUFLRCPV-YZNIXAGQSA-N 1 0 571.788 3.351 1 0 KGAFRO CNC(=O)Oc1ccc(C[C@@H]2CS(=O)(=O)C[C@H]([NH2+]Cc3cccc(C(C)C)c3)[C@H]2O)cc1Br ZINC000071296570 562717523 /nfs/dbraw/zinc/71/75/23/562717523.db2.gz WLKPKWJBEUBAOG-NWSQWKLXSA-N 1 0 539.492 3.397 1 0 KGAFRO Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CC[NH+](C)CC3)c2)n1 ZINC000071316394 562717945 /nfs/dbraw/zinc/71/79/45/562717945.db2.gz KRHCFMCQXRZKHH-UHFFFAOYSA-N 1 0 503.651 3.377 1 0 KGAFRO Cc1cccc(C)c1S(=O)(=O)N1CCC[C@H]1[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1 ZINC000071316648 562717993 /nfs/dbraw/zinc/71/79/93/562717993.db2.gz QLEXQCDQNMSBQO-CTVOUCONSA-N 1 0 554.761 3.060 1 0 KGAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCc3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071316730 562718064 /nfs/dbraw/zinc/71/80/64/562718064.db2.gz KDVVGAZDAXSUBA-LSYYVWMOSA-N 1 0 532.703 3.257 1 0 KGAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(c3ncnc4[nH]cc(C)c43)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071317398 562718199 /nfs/dbraw/zinc/71/81/99/562718199.db2.gz DXSLUHIZCAMHTD-QCDSWUKFSA-N 1 0 584.787 3.264 1 0 KGAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CCc3c4c[nH]nc4ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000071317736 562718303 /nfs/dbraw/zinc/71/83/03/562718303.db2.gz ZSKFBGIRLVOQAD-IADCTJSHSA-N 1 0 556.729 3.428 1 0 KGAFRO O=C1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C(=O)[C@H]2Cc3c4cccnc4[nH]c3[C@@H](c3ccc4c(c3)OCO4)N12 ZINC000071317870 562718349 /nfs/dbraw/zinc/71/83/49/562718349.db2.gz AXKOXCVIBTVTLY-RLACGHOJSA-N 1 0 535.604 3.251 1 0 KGAFRO Cc1cccc(C)c1S(=O)(=O)N1CCC[C@H]1[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1 ZINC000071318130 562718407 /nfs/dbraw/zinc/71/84/07/562718407.db2.gz QLEXQCDQNMSBQO-NDIVSWGXSA-N 1 0 554.761 3.060 1 0 KGAFRO C[NH+](C)CCNC(=O)[C@@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O ZINC000071318390 562718512 /nfs/dbraw/zinc/71/85/12/562718512.db2.gz ZTLXPLRDDVWBCS-VWLOTQADSA-N 1 0 540.664 3.229 1 0 KGAFRO C[NH+](C)CCNC(=O)[C@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O ZINC000071318391 562718529 /nfs/dbraw/zinc/71/85/29/562718529.db2.gz ZTLXPLRDDVWBCS-RUZDIDTESA-N 1 0 540.664 3.229 1 0 KGAFRO CC[N@H+](CCCc1ccnc(F)c1)CCNC(=O)c1cnc2cc(I)ccc2n1 ZINC000071318458 562718522 /nfs/dbraw/zinc/71/85/22/562718522.db2.gz GXHLCNNPAFDLTF-UHFFFAOYSA-N 1 0 507.351 3.453 1 0 KGAFRO Cc1cccc(C)c1S(=O)(=O)N1CCC[C@@H]1[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3ncnc(N)c3C3CC3)C2)C1 ZINC000071329551 562718935 /nfs/dbraw/zinc/71/89/35/562718935.db2.gz QLEXQCDQNMSBQO-UAABGXCFSA-N 1 0 554.761 3.060 1 0 KGAFRO COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NC2CC[NH+](C)CC2)c(C)c1C ZINC000071329719 562718992 /nfs/dbraw/zinc/71/89/92/562718992.db2.gz BHFAKTJSTIEQNS-QFIPXVFZSA-N 1 0 508.084 3.374 1 0 KGAFRO CC(=O)N=c1[nH]c2ccc(CCNC(=O)Nc3cc(C(F)(F)F)ccc3OC[C@@H]3CCC[NH2+]3)cc2[nH]1 ZINC000071330746 562719183 /nfs/dbraw/zinc/71/91/83/562719183.db2.gz SHEANPXZMJCZLW-KRWDZBQOSA-N 1 0 504.513 3.457 1 0 KGAFRO CC(=O)N=c1[nH]c2ccc(CCNC(=O)Nc3cc(C(F)(F)F)ccc3OC[C@H]3CCC[NH2+]3)cc2[nH]1 ZINC000071330749 562719182 /nfs/dbraw/zinc/71/91/82/562719182.db2.gz SHEANPXZMJCZLW-QGZVFWFLSA-N 1 0 504.513 3.457 1 0 KGAFRO COc1ccc(S(=O)(=O)n2c(C)c(CC(=O)NCCCN3CC[NH+](C)CC3)c3cc(F)ccc32)c(C)c1C ZINC000071331099 562719228 /nfs/dbraw/zinc/71/92/28/562719228.db2.gz JPVUCQHMDSKVDT-UHFFFAOYSA-N 1 0 544.693 3.247 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071331429 562719286 /nfs/dbraw/zinc/71/92/86/562719286.db2.gz KOPYHSKMDVXZJU-RRPNLBNLSA-N 1 0 538.714 3.054 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH2+]C4CCCC4)ccc32)cc1 ZINC000071331790 562719318 /nfs/dbraw/zinc/71/93/18/562719318.db2.gz RLFLMXRXBBBBRW-KAYWLYCHSA-N 1 0 538.714 3.100 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)N[C@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071331956 562719347 /nfs/dbraw/zinc/71/93/47/562719347.db2.gz KOPYHSKMDVXZJU-SVBPBHIXSA-N 1 0 538.714 3.054 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071332130 562719348 /nfs/dbraw/zinc/71/93/48/562719348.db2.gz KOPYHSKMDVXZJU-KAYWLYCHSA-N 1 0 538.714 3.054 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CC(=O)NC[C@@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071332158 562719356 /nfs/dbraw/zinc/71/93/56/562719356.db2.gz YVNHFWMUAVQHFQ-RPLLCQBOSA-N 1 0 538.714 3.054 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CC(=O)NC[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071332163 562719357 /nfs/dbraw/zinc/71/93/57/562719357.db2.gz YVNHFWMUAVQHFQ-SHQCIBLASA-N 1 0 538.714 3.054 1 0 KGAFRO Cc1ccc(NC(=O)[C@@H]2C[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)C[NH2+]2)cc1 ZINC000071332682 562719401 /nfs/dbraw/zinc/71/94/01/562719401.db2.gz SKCIOZDMFVETIK-CFNXAKABSA-N 1 0 637.803 3.292 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071334075 562719556 /nfs/dbraw/zinc/71/95/56/562719556.db2.gz KOPYHSKMDVXZJU-SXOMAYOGSA-N 1 0 538.714 3.054 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCC(C)CC4)ccc32)cc1 ZINC000071334124 562719544 /nfs/dbraw/zinc/71/95/44/562719544.db2.gz PAKBCAWLWJCKLL-VSGBNLITSA-N 1 0 552.741 3.300 1 0 KGAFRO O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000071335435 562719670 /nfs/dbraw/zinc/71/96/70/562719670.db2.gz CPWRRSSZELRMHM-CLJLJLNGSA-N 1 0 559.132 3.399 1 0 KGAFRO O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000071340298 562719721 /nfs/dbraw/zinc/71/97/21/562719721.db2.gz CPWRRSSZELRMHM-FTJBHMTQSA-N 1 0 559.132 3.399 1 0 KGAFRO O=C(C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1Cl)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000071340412 562719736 /nfs/dbraw/zinc/71/97/36/562719736.db2.gz WJYAGHJKWDXOJY-RPBOFIJWSA-N 1 0 559.132 3.399 1 0 KGAFRO O=C(C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1Cl)N[C@@H]1CCCc2cc(C[NH+]3CCCCC3)ccc21 ZINC000071340413 562719726 /nfs/dbraw/zinc/71/97/26/562719726.db2.gz WJYAGHJKWDXOJY-JWQCQUIFSA-N 1 0 559.132 3.399 1 0 KGAFRO CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)C[NH2+]C2CCC(O)CC2)cn1 ZINC000071340703 562719813 /nfs/dbraw/zinc/71/98/13/562719813.db2.gz OYSWPIMRDJSCJW-HRTMPFAESA-N 1 0 505.610 3.256 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@]2(C)CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071340791 562719842 /nfs/dbraw/zinc/71/98/42/562719842.db2.gz COQXVPSPPKHPTB-POURPWNDSA-N 1 0 552.741 3.444 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@]2(C)CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071340792 562719846 /nfs/dbraw/zinc/71/98/46/562719846.db2.gz COQXVPSPPKHPTB-OFSOJUDTSA-N 1 0 552.741 3.444 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH2+]CC(C)(C)C)ccc32)cc1 ZINC000071341417 562719960 /nfs/dbraw/zinc/71/99/60/562719960.db2.gz DPOWGCZOKVGFCN-CLJLJLNGSA-N 1 0 540.730 3.204 1 0 KGAFRO COc1ccc(S(=O)(=O)n2c(C)c(C(=O)NCCCN3CC[NH+](C)CC3)c3ccccc32)c(C)c1C ZINC000071341420 562719976 /nfs/dbraw/zinc/71/99/76/562719976.db2.gz LMOQRPKIDDELJS-UHFFFAOYSA-N 1 0 512.676 3.179 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2CCN(C)C(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCCC4)ccc32)cc1 ZINC000071410862 562720144 /nfs/dbraw/zinc/72/01/44/562720144.db2.gz YUCYSNBRNZOMJX-VSGBNLITSA-N 1 0 552.741 3.396 1 0 KGAFRO C[C@H](C[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1)NC(=O)c1cc(Br)c(Br)o1 ZINC000072104197 562720379 /nfs/dbraw/zinc/72/03/79/562720379.db2.gz UOLJLCJKXHYZKR-CQSZACIVSA-N 1 0 540.256 3.351 1 0 KGAFRO CCCc1nc(C(=O)NC[C@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072104607 562720499 /nfs/dbraw/zinc/72/04/99/562720499.db2.gz QWPZJSXLWOVSGQ-VWLOTQADSA-N 1 0 547.700 3.434 1 0 KGAFRO CCCc1nc(C(=O)NC[C@@H](O)C[NH+]2CCN(c3cccc(C)c3C)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072104608 562720527 /nfs/dbraw/zinc/72/05/27/562720527.db2.gz QWPZJSXLWOVSGQ-RUZDIDTESA-N 1 0 547.700 3.434 1 0 KGAFRO N[C@@H](CC(=O)N1CCC[C@H]1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000072106191 562720968 /nfs/dbraw/zinc/72/09/68/562720968.db2.gz XQAFHEUYTDKLQF-KYJUHHDHSA-N 1 0 601.698 3.449 1 0 KGAFRO COc1ccccc1-n1c(C)nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c1C ZINC000072106235 562720960 /nfs/dbraw/zinc/72/09/60/562720960.db2.gz CYFMNUPVSSRESR-OAQYLSRUSA-N 1 0 512.054 3.372 1 0 KGAFRO COc1ccccc1-n1c(C)nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3C)CC2)c1C ZINC000072106236 562720966 /nfs/dbraw/zinc/72/09/66/562720966.db2.gz CYFMNUPVSSRESR-NRFANRHFSA-N 1 0 512.054 3.372 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](C(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000072106284 562720964 /nfs/dbraw/zinc/72/09/64/562720964.db2.gz UIEYDBCHOMTMRI-WXFUMESZSA-N 1 0 524.618 3.095 1 0 KGAFRO Cc1nc(C(=O)NC[C@H](O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072106486 562721038 /nfs/dbraw/zinc/72/10/38/562721038.db2.gz BZMIPAGTGZJILI-FQEVSTJZSA-N 1 0 560.482 3.480 1 0 KGAFRO Cc1nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000072106487 562721048 /nfs/dbraw/zinc/72/10/48/562721048.db2.gz BZMIPAGTGZJILI-HXUWFJFHSA-N 1 0 560.482 3.480 1 0 KGAFRO O=C1CNC(=O)N1c1ccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)cc1 ZINC000072110413 562721816 /nfs/dbraw/zinc/72/18/16/562721816.db2.gz PDSNPKNFICYVBX-SANMLTNESA-N 1 0 513.635 3.164 1 0 KGAFRO CNC(=O)c1ccc(Oc2ccc(C[NH+]3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4C)cc2)cc1 ZINC000072112058 562722004 /nfs/dbraw/zinc/72/20/04/562722004.db2.gz FKYDRPOSXKFGAU-KAYWLYCHSA-N 1 0 548.684 3.071 1 0 KGAFRO O=C1CN(c2cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 ZINC000072112353 562722060 /nfs/dbraw/zinc/72/20/60/562722060.db2.gz PQRKOYDRQCGDTO-SANMLTNESA-N 1 0 513.635 3.164 1 0 KGAFRO O=C1CNC(=O)N1Cc1cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c2ccc(O)c(CO)c2)c1 ZINC000072112354 562722055 /nfs/dbraw/zinc/72/20/55/562722055.db2.gz FDFXEDUZLQADOC-MHZLTWQESA-N 1 0 527.662 3.159 1 0 KGAFRO O=C1CNC(=O)N1c1ccccc1CCCCOCCCCCC[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000072112616 562722127 /nfs/dbraw/zinc/72/21/27/562722127.db2.gz GJLISRCTOUPOQN-SANMLTNESA-N 1 0 513.635 3.164 1 0 KGAFRO O=C1CN(Cc2cccc(CCCCOCCCCCC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 ZINC000072112670 562722159 /nfs/dbraw/zinc/72/21/59/562722159.db2.gz WXPITSITALLSGL-MHZLTWQESA-N 1 0 527.662 3.159 1 0 KGAFRO CNC(=O)c1ccc(Oc2ccc(C[NH+]3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CC[C@H](C)O)cc2)cc1 ZINC000072112939 562722210 /nfs/dbraw/zinc/72/22/10/562722210.db2.gz NNJGFWAWUICHFT-NUZLPUNMSA-N 1 0 606.764 3.212 1 0 KGAFRO CNC(=O)c1ccc(Oc2ccc(C[NH+]3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CC[C@@H](C)O)cc2)cc1 ZINC000072112940 562722216 /nfs/dbraw/zinc/72/22/16/562722216.db2.gz NNJGFWAWUICHFT-OENWMMNHSA-N 1 0 606.764 3.212 1 0 KGAFRO CCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CC[NH+](Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2 ZINC000072113385 562722346 /nfs/dbraw/zinc/72/23/46/562722346.db2.gz NSZIENNIKGKZQQ-VSGBNLITSA-N 1 0 562.711 3.461 1 0 KGAFRO CC(=O)OC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000072113553 562722438 /nfs/dbraw/zinc/72/24/38/562722438.db2.gz FVPPGWBTXCBLED-NSOVKSMOSA-N 1 0 501.627 3.380 1 0 KGAFRO CNC(=O)c1ccc(Oc2ccc(C[NH+]3CCC4(CC3)C(=O)N[C@H]([C@H](O)C3CCCCC3)C(=O)N4CCOC)cc2)cc1 ZINC000072113760 562722481 /nfs/dbraw/zinc/72/24/81/562722481.db2.gz JJPISFGHPNDBGV-FQLXRVMXSA-N 1 0 592.737 3.088 1 0 KGAFRO CC(=O)NCCC[C@@](O)(c1cccc(F)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)C1 ZINC000072114914 562722851 /nfs/dbraw/zinc/72/28/51/562722851.db2.gz PPFBHLKNZWHBEA-OBVJZYNASA-N 1 0 525.665 3.242 1 0 KGAFRO COCCCC[C@@](O)(c1cccc(F)c1-c1cccc(C)c1)[C@H]1CN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)CCO1 ZINC000072115024 562722888 /nfs/dbraw/zinc/72/28/88/562722888.db2.gz SCFOYWHZASHDOQ-RWNGQHIQSA-N 1 0 514.638 3.131 1 0 KGAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072116695 562723208 /nfs/dbraw/zinc/72/32/08/562723208.db2.gz IBMOCWXCDBCFQT-OCBJUFRSSA-N 1 0 606.727 3.017 1 0 KGAFRO [NH3+][C@@H](CCc1ccc(O)cc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072116808 562723233 /nfs/dbraw/zinc/72/32/33/562723233.db2.gz XFMMGEWURZZEJF-OLUZHXLYSA-N 1 0 620.754 3.407 1 0 KGAFRO COc1ccc(CN2CC[NH+](CCCOc3ccc(C(=O)NC(=N)N)cc3NC(=O)c3ccsc3)CC2)c(OC)c1OC ZINC000072116838 562723230 /nfs/dbraw/zinc/72/32/30/562723230.db2.gz NKTJGQXYSDJXJE-UHFFFAOYSA-N 1 0 610.737 3.236 1 0 KGAFRO COc1ccc(CN2CC[NH+](CCCOc3ccc(C(=O)NC(=N)N)cc3NC(=O)c3cccs3)CC2)c(OC)c1OC ZINC000072117020 562723361 /nfs/dbraw/zinc/72/33/61/562723361.db2.gz RLWBQAMNUFUHJR-UHFFFAOYSA-N 1 0 610.737 3.236 1 0 KGAFRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118247 562723439 /nfs/dbraw/zinc/72/34/39/562723439.db2.gz BQEFIGPCRBEDCL-OCBJUFRSSA-N 1 0 590.728 3.311 1 0 KGAFRO CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118310 562723477 /nfs/dbraw/zinc/72/34/77/562723477.db2.gz MKCCPQXGNZTTHH-PFBJBMPXSA-N 1 0 556.711 3.115 1 0 KGAFRO COc1ccc(C[C@H]([NH3+])C(=O)N2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1 ZINC000072118318 562723519 /nfs/dbraw/zinc/72/35/19/562723519.db2.gz INCWVUCMXOJLNR-OLUZHXLYSA-N 1 0 620.754 3.320 1 0 KGAFRO COC(=O)NCCC[C@@](O)(c1cccc(F)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]([NH3+])[C@@H](O)C2)C1 ZINC000072118431 562723533 /nfs/dbraw/zinc/72/35/33/562723533.db2.gz DMVULLKTJWOQJO-YWHUKLHMSA-N 1 0 541.664 3.462 1 0 KGAFRO CCc1cccc(-c2c(F)cccc2[C@](O)(CCCCOC)[C@H]2CN(C(=O)[C@H]3C[C@@H]([NH3+])[C@@H](O)C3)CCO2)c1 ZINC000072118436 562723531 /nfs/dbraw/zinc/72/35/31/562723531.db2.gz GINXSGVWXWGOTE-QHXQRBBOSA-N 1 0 528.665 3.385 1 0 KGAFRO CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1 ZINC000072118478 562723534 /nfs/dbraw/zinc/72/35/34/562723534.db2.gz JQCURNGGLURUKM-ZXUGCILLSA-N 1 0 556.711 3.115 1 0 KGAFRO COc1ccc(C(=O)Nc2cc(C(=O)NC(=N)N)ccc2OCCC[NH+]2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000072118762 562723644 /nfs/dbraw/zinc/72/36/44/562723644.db2.gz FPQJAKQEXYFLBN-UHFFFAOYSA-N 1 0 634.734 3.183 1 0 KGAFRO [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccccc1 ZINC000072118779 562723628 /nfs/dbraw/zinc/72/36/28/562723628.db2.gz SSDYKPFYYWGOKR-AHWVRZQESA-N 1 0 532.641 3.476 1 0 KGAFRO COc1ccc(CN2CC[NH+](CCCOc3ccc(C(=O)NC(=N)N)cc3NC(=O)c3ccccc3)CC2)c(OC)c1OC ZINC000072118852 562723689 /nfs/dbraw/zinc/72/36/89/562723689.db2.gz XPQVSFJUUZJCDR-UHFFFAOYSA-N 1 0 604.708 3.175 1 0 KGAFRO CC(C)(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C(C)(C)C)CSC1(C)C ZINC000072121216 562724130 /nfs/dbraw/zinc/72/41/30/562724130.db2.gz LDPPPWHDMZASSP-OTJWULCMSA-N 1 0 667.917 3.018 1 0 KGAFRO CC(C)(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C2CCCCC2)C(C)(C)C)CSC1(C)C ZINC000072121217 562724159 /nfs/dbraw/zinc/72/41/59/562724159.db2.gz TYSYRSXMGJNKKR-APNLASKRSA-N 1 0 659.938 3.356 1 0 KGAFRO Cc1cc(C[C@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)cc(C)c1O ZINC000072123675 562724821 /nfs/dbraw/zinc/72/48/21/562724821.db2.gz KHUWTVYBCSURGW-YZKFEUJJSA-N 1 0 684.813 3.115 1 0 KGAFRO Cc1cc(C[C@@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(F)cc2)C(N)=O)cc(C)c1O ZINC000072123676 562724824 /nfs/dbraw/zinc/72/48/24/562724824.db2.gz KHUWTVYBCSURGW-KBHCACLRSA-N 1 0 684.813 3.115 1 0 KGAFRO Cc1cc(C[C@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc(F)cc2)C(N)=O)cc(C)c1O ZINC000072123677 562724846 /nfs/dbraw/zinc/72/48/46/562724846.db2.gz KHUWTVYBCSURGW-RXFGFDIZSA-N 1 0 684.813 3.115 1 0 KGAFRO Cc1cc(C[C@@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccc(F)cc2)C(N)=O)cc(C)c1O ZINC000072123678 562724813 /nfs/dbraw/zinc/72/48/13/562724813.db2.gz KHUWTVYBCSURGW-BTSNWBEZSA-N 1 0 684.813 3.115 1 0 KGAFRO CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](COC(=O)[C@H](C)NC(=O)[C@@H]5CCCN5C(=O)[C@@H]([NH3+])C(C)C)O4)c(=O)nc3o2)cc1 ZINC000072123773 562724991 /nfs/dbraw/zinc/72/49/91/562724991.db2.gz VTHBIIXOLFHHKI-PQELNSKFSA-N 1 0 665.788 3.060 1 0 KGAFRO CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])Cc2c(C)cc(O)cc2C)CC1 ZINC000072126780 562725390 /nfs/dbraw/zinc/72/53/90/562725390.db2.gz KLGSIEGKQXHQIC-VECIQGBVSA-N 1 0 733.310 3.315 1 0 KGAFRO Cc1cc(C[C@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)cc(C)c1O ZINC000072127071 562725698 /nfs/dbraw/zinc/72/56/98/562725698.db2.gz QAAOETKKVXBFDC-OMMZDPTKSA-N 1 0 641.813 3.055 1 0 KGAFRO Cc1cc(C[C@@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)cc(C)c1O ZINC000072127072 562725668 /nfs/dbraw/zinc/72/56/68/562725668.db2.gz QAAOETKKVXBFDC-HAGKOSKNSA-N 1 0 641.813 3.055 1 0 KGAFRO Cc1cc(C[C@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)cc(C)c1O ZINC000072127073 562725678 /nfs/dbraw/zinc/72/56/78/562725678.db2.gz QAAOETKKVXBFDC-GGAYBGFHSA-N 1 0 641.813 3.055 1 0 KGAFRO Cc1cc(C[C@@H]([NH3+])C(=O)N[C@@H]2CCCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)cc(C)c1O ZINC000072127074 562725692 /nfs/dbraw/zinc/72/56/92/562725692.db2.gz QAAOETKKVXBFDC-MZMJYPAFSA-N 1 0 641.813 3.055 1 0 KGAFRO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)C[NH2+]2)c1 ZINC000072129813 562726407 /nfs/dbraw/zinc/72/64/07/562726407.db2.gz LSFKJVANTKZZBV-HQBLUFQISA-N 1 0 683.828 3.000 1 0 KGAFRO COc1cc(NC(=O)[C@@H]2C[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)C[NH2+]2)cc(OC)c1OC ZINC000072129814 562726401 /nfs/dbraw/zinc/72/64/01/562726401.db2.gz JPZFMWSNSVORKC-HPWVJBTOSA-N 1 0 713.854 3.009 1 0 KGAFRO CC[C@H]1OC(=O)O[C@@]1(C)[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)[C@H](O2)[C@@H]1C ZINC000072131715 562726769 /nfs/dbraw/zinc/72/67/69/562726769.db2.gz IUJRZHJIEMFIGU-RMGXURIPSA-N 1 0 583.719 3.088 1 0 KGAFRO CC[C@H]1OC(=O)O[C@@]1(C)[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2OC(C)=O)[C@@]2(C)C[C@@H](C)[C@H](O2)[C@@H]1C ZINC000072131730 562726844 /nfs/dbraw/zinc/72/68/44/562726844.db2.gz BOJFASVECSVSFI-VGYGQCEXSA-N 1 0 627.772 3.451 1 0 KGAFRO CC(C)(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC[NH3+])c2ccccc2)C(C)(C)C)CSC1(C)C ZINC000072132790 562726833 /nfs/dbraw/zinc/72/68/33/562726833.db2.gz LCERWCBEJGSRGW-LYTRPQFFSA-N 1 0 738.996 3.045 1 0 KGAFRO C[NH2+][C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCC(C)(C)C)C(C)(C)C)c1ccccc1 ZINC000072132792 562726850 /nfs/dbraw/zinc/72/68/50/562726850.db2.gz HWLFXGMKBPQQDU-OTJWULCMSA-N 1 0 667.917 3.409 1 0 KGAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H]([C@H]([NH3+])C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)OCCCNC1=O ZINC000072136577 562728044 /nfs/dbraw/zinc/72/80/44/562728044.db2.gz YHDUTAZHCZODDF-WXLWZAEXSA-N 1 0 610.796 3.489 1 0 KGAFRO CC[C@H](C)[C@@H]1NC(=O)[C@@H]([C@@H]([NH3+])C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)OCCCNC1=O ZINC000072136578 562728049 /nfs/dbraw/zinc/72/80/49/562728049.db2.gz YHDUTAZHCZODDF-VKDNIZPPSA-N 1 0 610.796 3.489 1 0 KGAFRO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c(Nc2ccc(F)cc2C(=O)NC[C@H](O)CO)n1 ZINC000072137907 562728489 /nfs/dbraw/zinc/72/84/89/562728489.db2.gz SAWLOYCVNOMZOQ-NRFANRHFSA-N 1 0 592.676 3.158 1 0 KGAFRO CCCCNC(=O)[C@@H]([NH2+]C[C@@H]1CCCCOc2ccccc2C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)C(C)C ZINC000072137994 562728535 /nfs/dbraw/zinc/72/85/35/562728535.db2.gz XASQIRCTBNBYRV-RLAGABBFSA-N 1 0 669.868 3.151 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000072142622 562729569 /nfs/dbraw/zinc/72/95/69/562729569.db2.gz ICZPJFGVMHFQHA-CAVYSCNFSA-N 1 0 512.654 3.219 1 0 KGAFRO NC(=[NH2+])NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000072142744 562729606 /nfs/dbraw/zinc/72/96/06/562729606.db2.gz NXSDVVJKXUGRLC-IMKBVMFZSA-N 1 0 710.901 3.395 1 0 KGAFRO COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2C[C@H]3OC[C@@H]([NH+](C)C)[C@H]3C2)cc1 ZINC000072142752 562729626 /nfs/dbraw/zinc/72/96/26/562729626.db2.gz IVKSCSOGFANTIP-XCYBVLSOSA-N 1 0 603.782 3.148 1 0 KGAFRO CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1 ZINC000072147772 562729871 /nfs/dbraw/zinc/72/98/71/562729871.db2.gz VHFPJDFKBDQLTM-ZDCRTTOTSA-N 1 0 696.853 3.253 1 0 KGAFRO CC(C)CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000072147835 562729889 /nfs/dbraw/zinc/72/98/89/562729889.db2.gz WVHVBOXIONTZLI-CPCREDONSA-N 1 0 666.827 3.356 1 0 KGAFRO CC(C)CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000072148900 562729937 /nfs/dbraw/zinc/72/99/37/562729937.db2.gz MXIYLYFEOJGJDE-ZDCRTTOTSA-N 1 0 680.854 3.033 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000072148911 562729946 /nfs/dbraw/zinc/72/99/46/562729946.db2.gz AWEYPBPXBQAOLG-DTXPUJKBSA-N 1 0 674.847 3.092 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000072148912 562729925 /nfs/dbraw/zinc/72/99/25/562729925.db2.gz AVKHJPHJNBOKNR-AFEGWXKPSA-N 1 0 708.864 3.493 1 0 KGAFRO NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000072148927 562729974 /nfs/dbraw/zinc/72/99/74/562729974.db2.gz OZBBMKFUUJAGLD-KVBYWJEESA-N 1 0 714.871 3.230 1 0 KGAFRO CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc1ccccc1 ZINC000072148946 562730003 /nfs/dbraw/zinc/73/00/03/562730003.db2.gz FZGFXRIDZGYWIK-CPCREDONSA-N 1 0 696.853 3.396 1 0 KGAFRO CC(C)(C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000072149325 562730032 /nfs/dbraw/zinc/73/00/32/562730032.db2.gz ZNCPPYSUBBCNAA-CPCREDONSA-N 1 0 680.854 3.033 1 0 KGAFRO CC(C)COC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000072149326 562730038 /nfs/dbraw/zinc/73/00/38/562730038.db2.gz QOOIMIGOQGSJKB-ZDCRTTOTSA-N 1 0 696.853 3.253 1 0 KGAFRO CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000072149328 562730035 /nfs/dbraw/zinc/73/00/35/562730035.db2.gz XJZMBVBZYACDLE-CPCREDONSA-N 1 0 696.853 3.396 1 0 KGAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[N@H+](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170900 562730395 /nfs/dbraw/zinc/73/03/95/562730395.db2.gz DTIBCGRREBKACL-RYRVMRHHSA-N 1 0 560.603 3.453 1 0 KGAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[N@H+](C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170901 562730430 /nfs/dbraw/zinc/73/04/30/562730430.db2.gz DTIBCGRREBKACL-FQLPYIGMSA-N 1 0 560.603 3.453 1 0 KGAFRO CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(=O)Cc1ccccc1 ZINC000072170977 562730446 /nfs/dbraw/zinc/73/04/46/562730446.db2.gz UFSMRYLSSCXFSD-CPCREDONSA-N 1 0 676.884 3.198 1 0 KGAFRO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C[NH2+]C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171035 562730440 /nfs/dbraw/zinc/73/04/40/562730440.db2.gz MKBOZPCSMMMMSU-XSBVVTFOSA-N 1 0 576.602 3.119 1 0 KGAFRO COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C[NH2+]C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171036 562730433 /nfs/dbraw/zinc/73/04/33/562730433.db2.gz MKBOZPCSMMMMSU-DURWQBQJSA-N 1 0 576.602 3.119 1 0 KGAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C[NH2+]C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171742 562730493 /nfs/dbraw/zinc/73/04/93/562730493.db2.gz DCWJROSCKVAJFZ-XSBVVTFOSA-N 1 0 546.576 3.110 1 0 KGAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C[NH2+]C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171743 562730483 /nfs/dbraw/zinc/73/04/83/562730483.db2.gz DCWJROSCKVAJFZ-DURWQBQJSA-N 1 0 546.576 3.110 1 0 KGAFRO COCC[N@@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)cc2CC1 ZINC000072171776 562730470 /nfs/dbraw/zinc/73/04/70/562730470.db2.gz XJBVBERAWLJSDE-FGZHOGPDSA-N 1 0 523.103 3.193 1 0 KGAFRO NC(=[NH2+])NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000072172033 562730602 /nfs/dbraw/zinc/73/06/02/562730602.db2.gz NXSDVVJKXUGRLC-PUPDPRJKSA-N 1 0 710.901 3.395 1 0 KGAFRO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1 ZINC000072173406 562730936 /nfs/dbraw/zinc/73/09/36/562730936.db2.gz PMFSNRJSMDYKPZ-HXUWFJFHSA-N 1 0 523.688 3.178 1 0 KGAFRO COCC[N@@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCC[C@@H](NS(C)(=O)=O)C4)n3)cc2CC1 ZINC000072174802 562731156 /nfs/dbraw/zinc/73/11/56/562731156.db2.gz PXSLVHRVLNRHCF-TZIWHRDSSA-N 1 0 523.103 3.193 1 0 KGAFRO COCC[N@@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCC[C@H](NS(C)(=O)=O)C4)n3)cc2CC1 ZINC000072174853 562731203 /nfs/dbraw/zinc/73/12/03/562731203.db2.gz PXSLVHRVLNRHCF-CTNGQTDRSA-N 1 0 523.103 3.193 1 0 KGAFRO COC(=O)NCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1 ZINC000072174994 562731254 /nfs/dbraw/zinc/73/12/54/562731254.db2.gz XYPPWOVMUJRBQJ-RTWAWAEBSA-N 1 0 535.472 3.475 1 0 KGAFRO CCn1ccc([C@H]2CC[NH2+]C[C@@H]2C(=O)N(Cc2cc(CCCOC)cc(OCCOC)c2)C2CC2)cc1=O ZINC000072175035 562731271 /nfs/dbraw/zinc/73/12/71/562731271.db2.gz AXBFXWNMQYOMAF-IZLXSDGUSA-N 1 0 525.690 3.357 1 0 KGAFRO CC(=O)NCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2ccn(C)c(=O)c2)C2CC2)c1 ZINC000072175047 562731252 /nfs/dbraw/zinc/73/12/52/562731252.db2.gz BMQOLTKSGXBCPY-YADHBBJMSA-N 1 0 519.473 3.255 1 0 KGAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@H]2c2cc(=O)n(C)c(C)c2C)C2CC2)cc(OCCOC)c1 ZINC000072175252 562731289 /nfs/dbraw/zinc/73/12/89/562731289.db2.gz QSXJAPNLGQJDOZ-PXJZQJOASA-N 1 0 539.717 3.491 1 0 KGAFRO COCC[N@@H+]1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)c(OC)cc2CC1 ZINC000072175287 562731293 /nfs/dbraw/zinc/73/12/93/562731293.db2.gz CABVNJHMFKAWPR-NHCUHLMSSA-N 1 0 553.129 3.202 1 0 KGAFRO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1cccc(I)c1 ZINC000072175352 562731348 /nfs/dbraw/zinc/73/13/48/562731348.db2.gz FGAFDGWRFOJPRY-XGTKUTNFSA-N 1 0 572.443 3.360 1 0 KGAFRO CC(C)Oc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)cc2)nc(N2CCOCC2)n1 ZINC000072175776 562731404 /nfs/dbraw/zinc/73/14/04/562731404.db2.gz KAAMQZKICBFHHV-UHFFFAOYSA-N 1 0 548.648 3.098 1 0 KGAFRO C[NH+](C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(O[C@H]5CCOC5)nc(N5CCOCC5)n4)cc3)cc2)CC1 ZINC000072175777 562731427 /nfs/dbraw/zinc/73/14/27/562731427.db2.gz PDNXSGBKBLMGHI-MHZLTWQESA-N 1 0 616.723 3.353 1 0 KGAFRO COc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)NCC[NH+]4CCCCC4)cc3)cc2)nc(N2CCOCC2)n1 ZINC000072176553 562731622 /nfs/dbraw/zinc/73/16/22/562731622.db2.gz AKFJKRXXJVIFOI-UHFFFAOYSA-N 1 0 560.659 3.244 1 0 KGAFRO COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCC(C)(C)CNS(C)(=O)=O)C(C)C)C(C)C)ccc1OC ZINC000072176618 562731634 /nfs/dbraw/zinc/73/16/34/562731634.db2.gz NZHJYVJKESYWMU-FWEHEUNISA-N 1 0 615.878 3.357 1 0 KGAFRO O=c1[nH]c2c(s1)c([C@@H](O)C[NH2+]CCCOCC[NH2+]CCc1cccc(Cl)c1Cl)ccc2[O-] ZINC000072176744 562731681 /nfs/dbraw/zinc/73/16/81/562731681.db2.gz OOXNTGSMQFBSGF-SFHVURJKSA-N 1 0 500.448 3.464 1 0 KGAFRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)Nc1ccc(-c2nc(O[C@H]3CCOC3)nc(N3CCOCC3)n2)cc1 ZINC000072176912 562731687 /nfs/dbraw/zinc/73/16/87/562731687.db2.gz QDCAVNQUDWDLDZ-SANMLTNESA-N 1 0 602.696 3.013 1 0 KGAFRO Cc1c2n(c3c1C(=O)CC(C)(C)C3)-c1ccc(C(N)=O)c(c1)N[C@@H](C)[C@H](C)CN(C(=O)C1([NH3+])CC1)CC2 ZINC000072177097 562731728 /nfs/dbraw/zinc/73/17/28/562731728.db2.gz RENRGENBCMHTBB-AEFFLSMTSA-N 1 0 505.663 3.352 1 0 KGAFRO O=C(Nc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1)Nc1ccc(-c2nc(O[C@H]3CCOC3)nc(N3CCOCC3)n2)cc1 ZINC000072177111 562731717 /nfs/dbraw/zinc/73/17/17/562731717.db2.gz XTHMHKVQVQAVJS-MHZLTWQESA-N 1 0 616.723 3.403 1 0 KGAFRO C[NH2+]CC(=O)N1CCN(c2ccc(Nc3ncc(Cl)c(-c4cnc5ccccn54)n3)c(OC)c2)CC1 ZINC000072177247 562731760 /nfs/dbraw/zinc/73/17/60/562731760.db2.gz GDOFSSKHUKPELW-UHFFFAOYSA-N 1 0 506.998 3.065 1 0 KGAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCNC(=O)OCc2ccccc2)NS(=O)(=O)Cc2ccccc2)cc1 ZINC000072177485 562731811 /nfs/dbraw/zinc/73/18/11/562731811.db2.gz HDHQCDZBZNXVEN-IHLOFXLRSA-N 1 0 662.813 3.163 1 0 KGAFRO CC(C)Oc1nc(-c2ccc(NC(=O)Nc3ccc(C(=O)N(C)CC[NH+](C)C)cc3)cc2)nc(N2CCOCC2)n1 ZINC000072177630 562731856 /nfs/dbraw/zinc/73/18/56/562731856.db2.gz MSLMLOUWBRFGOO-UHFFFAOYSA-N 1 0 562.675 3.440 1 0 KGAFRO COc1cc(N2CCN(C(=O)[C@@H](C)[NH3+])CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn32)n1 ZINC000072178164 562732012 /nfs/dbraw/zinc/73/20/12/562732012.db2.gz RBHXOMJETACHEF-MRXNPFEDSA-N 1 0 506.998 3.193 1 0 KGAFRO COc1cc(N2CCN(C(=O)[C@H](C)[NH3+])CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn32)n1 ZINC000072178239 562731980 /nfs/dbraw/zinc/73/19/80/562731980.db2.gz RBHXOMJETACHEF-INIZCTEOSA-N 1 0 506.998 3.193 1 0 KGAFRO CC[NH+](CC)CCCn1c(=O)/c(=C/c2ccc3c(c2)OCO3)s/c1=C1/C(=O)Nc2ccc(Cl)cc21 ZINC000072178290 562732028 /nfs/dbraw/zinc/73/20/28/562732028.db2.gz UYILUSSVEGEAPA-CIMHSGBFSA-N 1 0 512.031 3.004 1 0 KGAFRO CC[NH+](CC)CCCn1c(=O)/c(=C/c2cc(OC)c(OC)c(OC)c2)s/c1=C1/C(=O)Nc2ccc(Cl)cc21 ZINC000072178446 562732067 /nfs/dbraw/zinc/73/20/67/562732067.db2.gz SHCMYTDRHCNKAK-UBVVQDNHSA-N 1 0 558.100 3.301 1 0 KGAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OCc1ccccc1 ZINC000072178761 562732144 /nfs/dbraw/zinc/73/21/44/562732144.db2.gz QAHGAEFSYFDUFF-MHDHXZMLSA-N 1 0 617.710 3.441 1 0 KGAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)OCc1ccccc1 ZINC000072178860 562732224 /nfs/dbraw/zinc/73/22/24/562732224.db2.gz LWCBPTAKDYAJDR-LSYYVWMOSA-N 1 0 537.620 3.106 1 0 KGAFRO COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)NCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000072178911 562732212 /nfs/dbraw/zinc/73/22/12/562732212.db2.gz WIKURVLPCANQFL-HWNGMCCRSA-N 1 0 621.687 3.085 1 0 KGAFRO COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000072178912 562732216 /nfs/dbraw/zinc/73/22/16/562732216.db2.gz VTJPGGGFZZJHFN-YAGSXNBFSA-N 1 0 643.693 3.041 1 0 KGAFRO COc1cc(N2CC[NH+](C[C@@H](C)O)CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 ZINC000072179113 562732238 /nfs/dbraw/zinc/73/22/38/562732238.db2.gz PYEVUJXYLLDVLP-HXUWFJFHSA-N 1 0 565.700 3.047 1 0 KGAFRO C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000072179165 562732260 /nfs/dbraw/zinc/73/22/60/562732260.db2.gz DUZRLTQPOXOWGD-XRQHJSPUSA-N 1 0 551.647 3.495 1 0 KGAFRO CO[C@H]1O[C@H](C[N@H+]2C[C@@H](O)[C@@H](OC)O[C@H](CO)C2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000072180365 562732453 /nfs/dbraw/zinc/73/24/53/562732453.db2.gz WLLJRUBTONAQQZ-PEEVAPCRSA-N 1 0 623.743 3.140 1 0 KGAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 ZINC000072181630 562732741 /nfs/dbraw/zinc/73/27/41/562732741.db2.gz HZUPDOJVKYRRMY-UHFFFAOYSA-N 1 0 521.647 3.296 1 0 KGAFRO COc1cc(N2CC[NH+](C[C@H](C)O)CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 ZINC000072181631 562732757 /nfs/dbraw/zinc/73/27/57/562732757.db2.gz PYEVUJXYLLDVLP-FQEVSTJZSA-N 1 0 565.700 3.047 1 0 KGAFRO COCCOc1cc(CCOC)cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c1 ZINC000072182510 562732826 /nfs/dbraw/zinc/73/28/26/562732826.db2.gz BQUATJQUTDHSGI-YWEHKCAJSA-N 1 0 518.601 3.167 1 0 KGAFRO COc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[NH+](C)CC5)ccn43)c21 ZINC000072315534 562733088 /nfs/dbraw/zinc/73/30/88/562733088.db2.gz FHGLIYSSHQABAZ-UHFFFAOYSA-N 1 0 554.655 3.323 1 0 KGAFRO CCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc(C4CC[NH+](CCC(F)(F)F)CC4)cc3OC)nc21 ZINC000072315789 562733081 /nfs/dbraw/zinc/73/30/81/562733081.db2.gz YTKVAPUFHZYJPL-UHFFFAOYSA-N 1 0 533.555 3.377 1 0 KGAFRO CON(C)C(=O)Cn1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c1cccc2F ZINC000073139921 562733560 /nfs/dbraw/zinc/73/35/60/562733560.db2.gz XEOJLCSVRLTGNZ-NGOKVRLYSA-N 1 0 544.574 3.067 1 0 KGAFRO Cn1ncnc1Cn1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2ccc(F)c(F)c2)C2CC2)c2c1cccc2F ZINC000073140598 562733637 /nfs/dbraw/zinc/73/36/37/562733637.db2.gz VAJPKQSBDSQSPA-NGOKVRLYSA-N 1 0 538.574 3.224 1 0 KGAFRO CC[C@H]1CN(c2ncc(C(=O)NC(C)C)nc2Cl)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000073141891 562733765 /nfs/dbraw/zinc/73/37/65/562733765.db2.gz JXOBHXULBSGIAE-INIZCTEOSA-N 1 0 549.507 3.104 1 0 KGAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@]23OC(=O)Cc2ccccc23)C2CC2)cc(OCCOC)c1 ZINC000073156060 562733823 /nfs/dbraw/zinc/73/38/23/562733823.db2.gz BEPZQODHCZLPEN-MVSFAKPFSA-N 1 0 536.669 3.386 1 0 KGAFRO C[C@H](O)C[NH+]1CCN(c2ccc(Nc3ncc4ccc(-c5ccccc5N(C)S(C)(=O)=O)n4n3)cc2)CC1 ZINC000073156334 562733787 /nfs/dbraw/zinc/73/37/87/562733787.db2.gz PUVCWOYYOGTJQF-FQEVSTJZSA-N 1 0 535.674 3.039 1 0 KGAFRO C[C@H](O)C[NH+]1CCN(c2ccc(Nc3ncc4ccc(-c5ccccc5N(C)S(C)(=O)=O)n4n3)cc2F)CC1 ZINC000073156583 562733879 /nfs/dbraw/zinc/73/38/79/562733879.db2.gz SZRIHXIBDWPIKZ-IBGZPJMESA-N 1 0 553.664 3.178 1 0 KGAFRO CCCO[C@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](COC)C2=O)C1 ZINC000073160646 562734086 /nfs/dbraw/zinc/73/40/86/562734086.db2.gz XIOCYSCUCXBALF-CYARFFJQSA-N 1 0 587.708 3.006 1 0 KGAFRO CC[C@H]1CN(c2ncc(C(=O)NC(C)(C)C)nc2Cl)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000073160897 562734087 /nfs/dbraw/zinc/73/40/87/562734087.db2.gz BJYRCSZRYLMYPY-INIZCTEOSA-N 1 0 563.534 3.494 1 0 KGAFRO CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](O)C[NH2+]2)C1=O ZINC000073162307 562734198 /nfs/dbraw/zinc/73/41/98/562734198.db2.gz JZIFFYJEFQCCJY-GHNNSOBRSA-N 1 0 557.682 3.116 1 0 KGAFRO CC[C@H]1CN(c2nc(N)c(C(N)=O)nc2Cl)CCN1C1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000073164158 562734265 /nfs/dbraw/zinc/73/42/65/562734265.db2.gz FSQRZWCNEBMUAW-INIZCTEOSA-N 1 0 542.006 3.275 1 0 KGAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@H](CC(C)C)C2=O)c1 ZINC000073164258 562734273 /nfs/dbraw/zinc/73/42/73/562734273.db2.gz CDPZXZPLCSENLY-OCPVPXFWSA-N 1 0 531.644 3.435 1 0 KGAFRO COc1ccc(-n2nnnc2C(F)(F)F)cc1C[NH2+][C@H]1CCN(C(=O)CCCNC(C)=O)C[C@H]1c1ccccc1 ZINC000073164269 562734278 /nfs/dbraw/zinc/73/42/78/562734278.db2.gz XLJBLGBRVMYMNE-GOTSBHOMSA-N 1 0 559.593 3.080 1 0 KGAFRO CCOC(=O)N1CC[NH+](CCCCCN2C(=O)N(CC(=O)OC)C(=O)C2(c2ccccc2)c2ccccc2)CC1 ZINC000073167121 562734553 /nfs/dbraw/zinc/73/45/53/562734553.db2.gz RWQWDCYZZCAVKI-UHFFFAOYSA-N 1 0 550.656 3.312 1 0 KGAFRO CCCC[C@H]1CCN([C@@H](C)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2Cc3ccccc3C[NH2+]2)C1=O ZINC000073167130 562734532 /nfs/dbraw/zinc/73/45/32/562734532.db2.gz YBPZORZQECJLAQ-MRWWSNIRSA-N 1 0 513.629 3.495 1 0 KGAFRO CC[NH+](CC)CCNC(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(C)C)cc1 ZINC000073167157 562734547 /nfs/dbraw/zinc/73/45/47/562734547.db2.gz RXNRFPVTNVDRAF-UDYADGIESA-N 1 0 584.783 3.189 1 0 KGAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2cccc(OC)c2)C2CC2)cc(OCCOC)c1 ZINC000073167232 562734583 /nfs/dbraw/zinc/73/45/83/562734583.db2.gz HGUHENQPTCHQJU-DGPALRBDSA-N 1 0 526.674 3.288 1 0 KGAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@]2(O)c2cccc(F)c2)C2CC2)cc(OCCOC)c1 ZINC000073167238 562734566 /nfs/dbraw/zinc/73/45/66/562734566.db2.gz BQMJVGIICQAEKL-PXJZQJOASA-N 1 0 514.638 3.418 1 0 KGAFRO COc1ccc(-n2nnnc2C(F)(F)F)cc1C[NH2+][C@H]1CCN(C(=O)N(C)C)C[C@H]1c1ccccc1 ZINC000073167647 562734631 /nfs/dbraw/zinc/73/46/31/562734631.db2.gz SXOAVORWRVYTGL-PMACEKPBSA-N 1 0 503.529 3.319 1 0 KGAFRO COc1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](C)N2CC[C@H](C(C)C)C2=O)c1 ZINC000073168944 562734759 /nfs/dbraw/zinc/73/47/59/562734759.db2.gz UQKUYECLNCZEAK-YSQWDHOWSA-N 1 0 517.617 3.044 1 0 KGAFRO COCCCc1cc(CN(C(=O)[C@H]2C[NH2+]CC[C@@]23OC(=O)c2ccccc23)C2CC2)cc(OCCOC)c1 ZINC000073169533 562734810 /nfs/dbraw/zinc/73/48/10/562734810.db2.gz FXKQOXVNWKMPRT-OFSOJUDTSA-N 1 0 522.642 3.457 1 0 KGAFRO CC[C@H]1CN(c2nc(N)c(C(=O)NC[C@@H](C)O)nc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000073196020 562735023 /nfs/dbraw/zinc/73/50/23/562735023.db2.gz GLFHPZGUFITFSB-XLIONFOSSA-N 1 0 550.535 3.041 1 0 KGAFRO CC[C@H]1CN(c2nc(N)c(C(=O)NCC(C)(C)O)nc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000073196021 562735041 /nfs/dbraw/zinc/73/50/41/562735041.db2.gz QXABCHJJGKMFJB-FQEVSTJZSA-N 1 0 564.562 3.432 1 0 KGAFRO CC[C@H]1CN(c2ncc(C(=O)NC3CC3)nc2C(F)(F)F)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000073196651 562735194 /nfs/dbraw/zinc/73/51/94/562735194.db2.gz YMASBDCSTMYTAD-INIZCTEOSA-N 1 0 581.043 3.224 1 0 KGAFRO C[N@@H+]1CCC[C@@H]1CCN1CC(=O)N(CCc2ccccc2)[C@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000073197391 562735378 /nfs/dbraw/zinc/73/53/78/562735378.db2.gz IVGCRCSKSLLERP-XNMGPUDCSA-N 1 0 616.590 3.006 1 0 KGAFRO C[N@@H+]1CCC[C@H]1CCN1CC(=O)N(CCc2ccccc2)[C@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000073197392 562735376 /nfs/dbraw/zinc/73/53/76/562735376.db2.gz IVGCRCSKSLLERP-AHKZPQOWSA-N 1 0 616.590 3.006 1 0 KGAFRO CC(C)Oc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)n(C(=O)NCc2ccccc2S(=O)(=O)C(C)C)n1 ZINC000073198526 562735737 /nfs/dbraw/zinc/73/57/37/562735737.db2.gz MIMKSIRCNKIACO-UHFFFAOYSA-N 1 0 570.720 3.083 1 0 KGAFRO CC(C)Oc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)nn1C(=O)NCc1ccccc1S(=O)(=O)C(C)C ZINC000073198527 562735721 /nfs/dbraw/zinc/73/57/21/562735721.db2.gz SYAIOXNLQFGKDK-UHFFFAOYSA-N 1 0 570.720 3.083 1 0 KGAFRO C[NH2+]CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c1 ZINC000073199236 562735956 /nfs/dbraw/zinc/73/59/56/562735956.db2.gz RAXDXSKVWRTLDJ-GDLZYMKVSA-N 1 0 637.181 3.382 1 0 KGAFRO NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[NH2+]CCCO ZINC000073199285 562735962 /nfs/dbraw/zinc/73/59/62/562735962.db2.gz LPMVHVCFSLJYDJ-UHFFFAOYSA-N 1 0 592.351 3.200 1 0 KGAFRO CN1CCN(CC(=O)N[C@@H]2CC3([NH+]4CCN(C)CC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073199429 562736002 /nfs/dbraw/zinc/73/60/02/562736002.db2.gz CJBMUHMUJCAWQQ-GJTYJFQVSA-N 1 0 515.746 3.086 1 0 KGAFRO C[NH2+]Cc1ccc(Cl)c(CN(C(=O)[C@@H]2CNCC(=O)N2c2cnc(OCCCOCc3ccccc3OC)nc2)C2CC2)c1 ZINC000073200460 562736125 /nfs/dbraw/zinc/73/61/25/562736125.db2.gz QOSQMMVJFZHUIU-NDEPHWFRSA-N 1 0 623.154 3.340 1 0 KGAFRO CS(=O)(=O)Nc1cccc(-c2ccc3cnc(Nc4ccc(C5CC[NH+](CC(N)=O)CC5)cc4)nn32)c1 ZINC000073220038 562736197 /nfs/dbraw/zinc/73/61/97/562736197.db2.gz WXTUWRZQCBDOEW-UHFFFAOYSA-N 1 0 519.631 3.176 1 0 KGAFRO CS(=O)(=O)c1ccc(-c2ccc3cnc(Nc4ccc(C5CC[NH+](CC(N)=O)CC5)cc4)nn32)cc1 ZINC000073223145 562736477 /nfs/dbraw/zinc/73/64/77/562736477.db2.gz QXJBBWIDIJSXNA-UHFFFAOYSA-N 1 0 504.616 3.208 1 0 KGAFRO CS(=O)(=O)c1cccc(-c2ccc3cnc(Nc4ccc(C5CC[NH+](CC(N)=O)CC5)cc4)nn32)c1 ZINC000073223148 562736456 /nfs/dbraw/zinc/73/64/56/562736456.db2.gz NUBQSBJQEOZDKV-UHFFFAOYSA-N 1 0 504.616 3.208 1 0 KGAFRO CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000073223625 562736537 /nfs/dbraw/zinc/73/65/37/562736537.db2.gz JLRLJGRLKMITSJ-DLBZAZTESA-N 1 0 500.596 3.313 1 0 KGAFRO COc1ccc(C2=NN(CCCC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000073258788 562737186 /nfs/dbraw/zinc/73/71/86/562737186.db2.gz CYDUYTLCMWZTJY-HWBMXIPRSA-N 1 0 538.645 3.434 1 0 KGAFRO COc1ccc(C2=NN(CCCC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000073258789 562737171 /nfs/dbraw/zinc/73/71/71/562737171.db2.gz CYDUYTLCMWZTJY-FBLLAGFSSA-N 1 0 538.645 3.434 1 0 KGAFRO COc1ccc(C2=NN(CCCC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC ZINC000073258791 562737173 /nfs/dbraw/zinc/73/71/73/562737173.db2.gz CYDUYTLCMWZTJY-SLSDLSHTSA-N 1 0 538.645 3.434 1 0 KGAFRO COc1ccc(C2=NN(CCCC[NH2+]C[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000073258792 562737154 /nfs/dbraw/zinc/73/71/54/562737154.db2.gz CYDUYTLCMWZTJY-RQTOMXEWSA-N 1 0 538.645 3.434 1 0 KGAFRO COc1ccc(C2=NN(CCCC[NH2+]C[C@@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@H]3CCCC[C@H]23)cc1OC ZINC000073258794 562737189 /nfs/dbraw/zinc/73/71/89/562737189.db2.gz CYDUYTLCMWZTJY-WRALFONMSA-N 1 0 538.645 3.434 1 0 KGAFRO COc1ccc(C2=NN(CCCC[NH2+]C[C@@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC ZINC000073258795 562737157 /nfs/dbraw/zinc/73/71/57/562737157.db2.gz CYDUYTLCMWZTJY-SGIRGMQISA-N 1 0 538.645 3.434 1 0 KGAFRO COc1ccc(C2=NN(CCCC[NH2+]C[C@@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC ZINC000073258796 562737159 /nfs/dbraw/zinc/73/71/59/562737159.db2.gz CYDUYTLCMWZTJY-OTNCWRBYSA-N 1 0 538.645 3.434 1 0 KGAFRO COc1ccc(C2=NN(CCCC[NH2+]C[C@@H](O)c3ccc(O)c(NC=O)c3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC ZINC000073258797 562737176 /nfs/dbraw/zinc/73/71/76/562737176.db2.gz CYDUYTLCMWZTJY-TZBSWOFLSA-N 1 0 538.645 3.434 1 0 KGAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)N2CCN(C(C)=O)CC2)CC1 ZINC000073280286 562737467 /nfs/dbraw/zinc/73/74/67/562737467.db2.gz JDFSLKRZSJQKFT-PMERELPUSA-N 1 0 568.784 3.241 1 0 KGAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)N2CCN(C(C)=O)CC2)CC1 ZINC000073280288 562737474 /nfs/dbraw/zinc/73/74/74/562737474.db2.gz JDFSLKRZSJQKFT-SSEXGKCCSA-N 1 0 568.784 3.241 1 0 KGAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2ccccc2)N2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000073292357 562737482 /nfs/dbraw/zinc/73/74/82/562737482.db2.gz BDNJKHFQQJXFNJ-PMERELPUSA-N 1 0 618.866 3.044 1 0 KGAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@H](c2ccccc2)N2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000073292360 562737497 /nfs/dbraw/zinc/73/74/97/562737497.db2.gz BDNJKHFQQJXFNJ-SSEXGKCCSA-N 1 0 618.866 3.044 1 0 KGAFRO CN(c1ccccc1-c1ccc2cnc(Nc3ccc(C4CC[NH+](CC(N)=O)CC4)cc3)nn21)S(C)(=O)=O ZINC000073390745 562738623 /nfs/dbraw/zinc/73/86/23/562738623.db2.gz HEBHVXJRMDQONJ-UHFFFAOYSA-N 1 0 533.658 3.200 1 0 KGAFRO CCCC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](O)C[NH2+]2)C1=O ZINC000073390754 562738654 /nfs/dbraw/zinc/73/86/54/562738654.db2.gz JZIFFYJEFQCCJY-NTVBGXBNSA-N 1 0 557.682 3.116 1 0 KGAFRO CCCS(=O)(=O)[C@@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@](NC(C)=O)([C@@H](C)CC)C2=O)C1 ZINC000082137986 562739055 /nfs/dbraw/zinc/73/90/55/562739055.db2.gz KKMCDUNMVHVGEW-ZMGDXGDRSA-N 1 0 704.881 3.063 1 0 KGAFRO CCCS(=O)(=O)[C@@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@](NC(C)=O)([C@H](C)CC)C2=O)C1 ZINC000082137987 562739089 /nfs/dbraw/zinc/73/90/89/562739089.db2.gz KKMCDUNMVHVGEW-PJLOPEEFSA-N 1 0 704.881 3.063 1 0 KGAFRO CCCS(=O)(=O)[C@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@](NC(C)=O)([C@@H](C)CC)C2=O)C1 ZINC000082139914 562739255 /nfs/dbraw/zinc/73/92/55/562739255.db2.gz KKMCDUNMVHVGEW-IQKAAWDYSA-N 1 0 704.881 3.063 1 0 KGAFRO CCCS(=O)(=O)[C@H]1C[NH2+][C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@](NC(C)=O)([C@H](C)CC)C2=O)C1 ZINC000082139918 562739283 /nfs/dbraw/zinc/73/92/83/562739283.db2.gz KKMCDUNMVHVGEW-MLKLTFHDSA-N 1 0 704.881 3.063 1 0 KGAFRO NC(=[NH2+])NCCCCN(CC(N)=O)C(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCc1ccc(Cl)cc1Cl ZINC000082140684 562739544 /nfs/dbraw/zinc/73/95/44/562739544.db2.gz PXPMBLKAKLPHDN-XMMPIXPASA-N 1 0 687.456 3.092 1 0 KGAFRO NC(=[NH2+])NCCCCN(CC(N)=O)C(=O)C[C@H]1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCc1ccc(Cl)cc1Cl ZINC000082140687 562739546 /nfs/dbraw/zinc/73/95/46/562739546.db2.gz PXPMBLKAKLPHDN-DEOSSOPVSA-N 1 0 687.456 3.092 1 0 KGAFRO CCOCCOCc1ccn2ncc(C(=O)NCCCC[NH+]3CCN(c4ccccc4OC)CC3)c2c1 ZINC000082149173 562739658 /nfs/dbraw/zinc/73/96/58/562739658.db2.gz WCIPIDQYCIFSCP-UHFFFAOYSA-N 1 0 509.651 3.228 1 0 KGAFRO CC[NH2+][C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000082151715 562739944 /nfs/dbraw/zinc/73/99/44/562739944.db2.gz SIIBLYWXKABCAD-NHCICSSKSA-N 1 0 623.698 3.410 1 0 KGAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)n(C(=O)NCc2c(Cl)cccc2Cl)n1 ZINC000082154563 562740337 /nfs/dbraw/zinc/74/03/37/562740337.db2.gz XDANYEMWZMAGGX-UHFFFAOYSA-N 1 0 505.410 3.429 1 0 KGAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1nc(N)nn1C(=O)NCc1c(Cl)cccc1Cl ZINC000082154693 562740396 /nfs/dbraw/zinc/74/03/96/562740396.db2.gz TXCCZOVMNKSYFQ-UHFFFAOYSA-N 1 0 505.410 3.429 1 0 KGAFRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000082154833 562740384 /nfs/dbraw/zinc/74/03/84/562740384.db2.gz ZFCUEBJJRLQVHY-KAGYGMCKSA-N 1 0 525.593 3.124 1 0 KGAFRO CC[NH2+][C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 ZINC000082156991 562740780 /nfs/dbraw/zinc/74/07/80/562740780.db2.gz GCUSTVXIYAVKCZ-KAGYGMCKSA-N 1 0 525.593 3.172 1 0 KGAFRO Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCCc3cc(C[NH+]4CCCC4)ccc32)cc1 ZINC000082157484 562740887 /nfs/dbraw/zinc/74/08/87/562740887.db2.gz MSIPSZHIBCCSGJ-CLJLJLNGSA-N 1 0 522.671 3.135 1 0 KGAFRO CS(=O)(=O)N1Cc2cccc(-c3ccc4cnc(Nc5ccc(C6CC[NH+](CC(N)=O)CC6)cc5)nn43)c2C1 ZINC000082158393 562741132 /nfs/dbraw/zinc/74/11/32/562741132.db2.gz OBKWVNQNMBDGSL-UHFFFAOYSA-N 1 0 545.669 3.080 1 0 KGAFRO COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)NCCC[NH+](C)C)n(C)c3)n(C)c1)N=C[C@@H]1CCCN1C2=O ZINC000082170397 562741474 /nfs/dbraw/zinc/74/14/74/562741474.db2.gz JJTVXTNABVMUMY-DEOSSOPVSA-N 1 0 660.776 3.424 1 0 KGAFRO CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](CC[C@@H](c2cccc(S(C)(=O)=O)c2)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000082178821 562741806 /nfs/dbraw/zinc/74/18/06/562741806.db2.gz POSCTKCOIKQVHU-WJOKGBTCSA-N 1 0 681.943 3.195 1 0 KGAFRO COc1ccc([C@](C)([NH2+]C[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(C)c2)cc1 ZINC000084541458 562743304 /nfs/dbraw/zinc/74/33/04/562743304.db2.gz BUKJGKBIYJOSDH-AHWVRZQESA-N 1 0 513.616 3.258 1 0 KGAFRO CC(=O)NCCc1ccccc1-c1onc([C@H]2C[NH2+]CC[C@]2(OC[C@H](O)CO)c2ccc(F)c(F)c2)c1Br ZINC000084586870 562743462 /nfs/dbraw/zinc/74/34/62/562743462.db2.gz HUNKRAKTFQRWLG-ZOIIRCJOSA-N 1 0 594.453 3.403 1 0 KGAFRO CC(=O)NCCc1ccccc1-c1onc([C@H]2C[NH2+]CC[C@]2(OC[C@@H](O)CO)c2ccc(F)c(F)c2)c1Br ZINC000084586873 562743453 /nfs/dbraw/zinc/74/34/53/562743453.db2.gz HUNKRAKTFQRWLG-FCDUAZGNSA-N 1 0 594.453 3.403 1 0 KGAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 ZINC000084587229 562743519 /nfs/dbraw/zinc/74/35/19/562743519.db2.gz DAYLSQDBRZBIHR-UIOOFZCWSA-N 1 0 607.674 3.352 1 0 KGAFRO CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H]2CN(CC(F)F)CC[NH2+]2)CC1 ZINC000084589073 562743583 /nfs/dbraw/zinc/74/35/83/562743583.db2.gz HNZYHHSJGTZICV-FTJBHMTQSA-N 1 0 607.762 3.496 1 0 KGAFRO COC(=O)c1cc(NCC[NH+]2CCCC2)c(C)c(N2CCN(c3ncnc4n[nH]c(Br)c43)CC2)c1 ZINC000084596321 562743664 /nfs/dbraw/zinc/74/36/64/562743664.db2.gz UUZYXVMMMLOUNS-UHFFFAOYSA-N 1 0 543.470 3.045 1 0 KGAFRO CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H]([NH3+])Cc2ccc(F)cc2)[C@@H](CCNc2ccccn2)C1=O ZINC000084597563 562743986 /nfs/dbraw/zinc/74/39/86/562743986.db2.gz OEIGIBOHBGEWLY-NGDRWEMDSA-N 1 0 596.707 3.143 1 0 KGAFRO NC(=O)c1cnc2nc(-c3ccc(OCC[NH+]4CCCCC4)cc3)[nH]c2c1NCCCNC(=O)C1CCC1 ZINC000084615160 562744454 /nfs/dbraw/zinc/74/44/54/562744454.db2.gz IUDBEIQBJIEKNX-UHFFFAOYSA-N 1 0 519.650 3.307 1 0 KGAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)CC[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])C(=O)[O-])c1 ZINC000084617028 562744690 /nfs/dbraw/zinc/74/46/90/562744690.db2.gz OCAKJVPCNOCQSM-WWPVKYPJSA-N 1 0 572.751 3.044 1 0 KGAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)CC[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])C(=O)[O-])c1 ZINC000084617030 562744800 /nfs/dbraw/zinc/74/48/00/562744800.db2.gz OCAKJVPCNOCQSM-UEVCKROQSA-N 1 0 572.751 3.044 1 0 KGAFRO CCC[C@H](O)[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC ZINC000084617771 562744966 /nfs/dbraw/zinc/74/49/66/562744966.db2.gz HLLTZMHIGBVYGQ-GOTSBHOMSA-N 1 0 551.610 3.239 1 0 KGAFRO O=C(C[C@H](Nc1ccncn1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084619485 562745249 /nfs/dbraw/zinc/74/52/49/562745249.db2.gz HBQDMNWZCXPWMC-MHZLTWQESA-N 1 0 574.730 3.163 1 0 KGAFRO O=C(C[C@H](NCc1ccccn1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(N2Cc3ccccc3NC2=O)CC1 ZINC000084619609 562745342 /nfs/dbraw/zinc/74/53/42/562745342.db2.gz ORVXFNWYROSDGX-PMERELPUSA-N 1 0 587.769 3.446 1 0 KGAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)OC/C=C\COc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000084631986 562745426 /nfs/dbraw/zinc/74/54/26/562745426.db2.gz XWJGZMVWOIPRDB-CLIZBVFSSA-N 1 0 681.815 3.373 1 0 KGAFRO CC(C)N1Cc2c(nc(N3CCN(C(=O)C[NH+](C)C)CC3)nc2NC(c2ccccc2)c2ccccc2)C1=O ZINC000084633393 562745694 /nfs/dbraw/zinc/74/56/94/562745694.db2.gz CYGDBXVUEQBTGM-UHFFFAOYSA-N 1 0 527.673 3.253 1 0 KGAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@@H](C)CCCNC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-])c1 ZINC000084634402 562745917 /nfs/dbraw/zinc/74/59/17/562745917.db2.gz OCAKJVPCNOCQSM-VJBMBRPKSA-N 1 0 572.751 3.044 1 0 KGAFRO COc1cc2ccc(C(C)(C)C)nc2c(N[C@H](C)CCCNC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-])c1 ZINC000084634404 562745921 /nfs/dbraw/zinc/74/59/21/562745921.db2.gz OCAKJVPCNOCQSM-OIBXWCBGSA-N 1 0 572.751 3.044 1 0 KGAFRO COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCCCCCCC[NH3+])nc4ccccc4n3c2=O)cc1 ZINC000084634588 562745934 /nfs/dbraw/zinc/74/59/34/562745934.db2.gz DLZJVASQJDLGMG-UHFFFAOYSA-N 1 0 533.633 3.176 1 0 KGAFRO Cc1cn2c(-c3cnn(CC(=O)NCC[NH+](C)C)c3)cnc2c(Nc2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084635543 562746179 /nfs/dbraw/zinc/74/61/79/562746179.db2.gz FDWWNNRPPYASDR-SFHVURJKSA-N 1 0 536.710 3.011 1 0 KGAFRO Cc1cn2c(-c3cnn(CC(=O)NCC[NH+](C)C)c3)cnc2c(Nc2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084635546 562746174 /nfs/dbraw/zinc/74/61/74/562746174.db2.gz FDWWNNRPPYASDR-GOSISDBHSA-N 1 0 536.710 3.011 1 0 KGAFRO CC1(CO/C(C(=O)Nc2cccc(Cl)c2)=C(/C=[NH2+])N2CCN(S(=O)(=O)NCc3ccc(F)c(N)c3)CC2)CC1 ZINC000084652207 562746460 /nfs/dbraw/zinc/74/64/60/562746460.db2.gz OBDDSIBFYLHXAP-IDFMNWTKSA-N 1 0 579.098 3.330 1 0 KGAFRO Cc1ccc(CNS(=O)(=O)N2CCN(/C(C=[NH2+])=C(\OCC3(C)CC3)C(=O)Nc3cccc(Cl)c3)CC2)cc1N ZINC000084652208 562746431 /nfs/dbraw/zinc/74/64/31/562746431.db2.gz HKDMLGUOJQXJFG-MDCBPPBZSA-N 1 0 575.135 3.499 1 0 KGAFRO COc1ccc(CNS(=O)(=O)N2CCN(/C(C=[NH2+])=C(\OCC3(C)CC3)C(=O)Nc3cccc(Cl)c3)CC2)cc1N ZINC000084652209 562746449 /nfs/dbraw/zinc/74/64/49/562746449.db2.gz IFXFZRFLZSPXHF-ZHSDHNBTSA-N 1 0 591.134 3.199 1 0 KGAFRO CC(C)(C)Cc1cnc2c(c1)[C@@H]([NH2+]C[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(=O)CF)CC1(CC(O)C1)O2 ZINC000084652295 562746478 /nfs/dbraw/zinc/74/64/78/562746478.db2.gz QDNYUOBQNJAFJZ-KDZQJVERSA-N 1 0 517.617 3.174 1 0 KGAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(C[C@H](O)C(F)(F)F)c3)[C@@H]2O)c1 ZINC000084653847 562746997 /nfs/dbraw/zinc/74/69/97/562746997.db2.gz GCVKLIOGBJALOK-VPJOFFEXSA-N 1 0 546.627 3.278 1 0 in-vitro KGAFRO CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H]([NH2+]Cc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1NC(=O)CN(C)C ZINC000084654029 562747144 /nfs/dbraw/zinc/74/71/44/562747144.db2.gz VCWNSMCBQGSOIZ-ATILKMQGSA-N 1 0 547.737 3.292 1 0 KGAFRO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(C2)NC(=O)N(CC)C3=O)CC1 ZINC000084655108 562747441 /nfs/dbraw/zinc/74/74/41/562747441.db2.gz ZGHGFDPBAVAWPZ-AREMUKBSSA-N 1 0 526.663 3.054 1 0 KGAFRO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(C2)NC(=O)N(CC)C3=O)CC1 ZINC000084655110 562747421 /nfs/dbraw/zinc/74/74/21/562747421.db2.gz ZGHGFDPBAVAWPZ-SANMLTNESA-N 1 0 526.663 3.054 1 0 KGAFRO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(C2)C(=O)N(CC)C(=O)N3C)CC1 ZINC000084655112 562747428 /nfs/dbraw/zinc/74/74/28/562747428.db2.gz RZKJMGGOHVLWLY-HHHXNRCGSA-N 1 0 540.690 3.396 1 0 KGAFRO CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(C2)C(=O)N(CC)C(=O)N3C)CC1 ZINC000084655114 562747407 /nfs/dbraw/zinc/74/74/07/562747407.db2.gz RZKJMGGOHVLWLY-MHZLTWQESA-N 1 0 540.690 3.396 1 0 KGAFRO CC(F)(F)c1cccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(Br)c3)[C@@H]2O)c1 ZINC000084669505 562747975 /nfs/dbraw/zinc/74/79/75/562747975.db2.gz QBRKIXCNLLQOPH-WNYOCNMUSA-N 1 0 521.399 3.389 1 0 in-vitro KGAFRO Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1-n1c(C)nc2ccc(N3CC[NH+](C)CC3)cc2c1=O ZINC000084669764 562748079 /nfs/dbraw/zinc/74/80/79/562748079.db2.gz FRLOOESVQNSHDJ-UHFFFAOYSA-N 1 0 553.667 3.238 1 0 KGAFRO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(C2)NC(=O)N(C(C)C)C3=O)CC1 ZINC000084670502 562748268 /nfs/dbraw/zinc/74/82/68/562748268.db2.gz AKUXSTUUYYHYFK-HHHXNRCGSA-N 1 0 555.705 3.146 1 0 KGAFRO CCNC(=O)Nc1sc2nc(C)ccc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)CC1 ZINC000084670503 562748300 /nfs/dbraw/zinc/74/83/00/562748300.db2.gz AKUXSTUUYYHYFK-MHZLTWQESA-N 1 0 555.705 3.146 1 0 KGAFRO CC(C)N(C)S(=O)(=O)N1CCN(/C(C=[NH2+])=C(\OC2CCCC2)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000084671052 562748467 /nfs/dbraw/zinc/74/84/67/562748467.db2.gz FKKNWHYAOJHQSA-SCZGOTETSA-N 1 0 512.076 3.301 1 0 KGAFRO CCN(CC)S(=O)(=O)N1CCN(/C(C=[NH2+])=C(\OC2CCCC2)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000084671055 562748470 /nfs/dbraw/zinc/74/84/70/562748470.db2.gz MKKUOZCKZQDJEY-NFPNLUPESA-N 1 0 512.076 3.303 1 0 KGAFRO CC1(CO/C(C(=O)Nc2cccc(Cl)c2)=C(/C=[NH2+])N2CCN(S(=O)(=O)NCc3cccnc3)CC2)CC1 ZINC000084671101 562748456 /nfs/dbraw/zinc/74/84/56/562748456.db2.gz FONVZDXRRXHSMH-JQULFPKWSA-N 1 0 547.081 3.004 1 0 KGAFRO CC1(CO/C(C(=O)Nc2cccc(Cl)c2)=C(/C=[NH2+])N2CCN(S(=O)(=O)NCc3ccncc3)CC2)CC1 ZINC000084671104 562748447 /nfs/dbraw/zinc/74/84/47/562748447.db2.gz AOWOTUFNXJGSTK-QOKKNFLSSA-N 1 0 547.081 3.004 1 0 KGAFRO c1ccc(-c2nnc(Sc3ccnc(N4CCN(c5cc[nH+]cc5)CC4)n3)n2CCCN2CCOCC2)cc1 ZINC000084687653 562748957 /nfs/dbraw/zinc/74/89/57/562748957.db2.gz PMYRZQORZRGUPK-UHFFFAOYSA-N 1 0 543.701 3.330 1 0 KGAFRO COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCC[NH3+])n(C)c4)n(C)c3)cn2)cc1 ZINC000084688020 562749102 /nfs/dbraw/zinc/74/91/02/562749102.db2.gz RFCKXDYJROJIKH-XBXARRHUSA-N 1 0 541.612 3.131 1 0 KGAFRO COc1ccc(C[NH+]2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn43)CC2)cc1 ZINC000084689265 562749310 /nfs/dbraw/zinc/74/93/10/562749310.db2.gz CGICUGKVZVFASU-UHFFFAOYSA-N 1 0 501.551 3.066 1 0 KGAFRO c1csc(-c2nnc(Sc3ccnc(N4CCN(c5cc[nH+]cc5)CC4)n3)n2CCCN2CCOCC2)c1 ZINC000084703909 562749789 /nfs/dbraw/zinc/74/97/89/562749789.db2.gz HDEOMOKBKSJHCR-UHFFFAOYSA-N 1 0 549.730 3.392 1 0 KGAFRO C[NH+](C)[C@@H](CC(C)(C)C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(N)=O ZINC000084704290 562749863 /nfs/dbraw/zinc/74/98/63/562749863.db2.gz CABWOQHCHIFCNW-KCHLEUMXSA-N 1 0 593.769 3.373 1 0 KGAFRO O=C(N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC([NH+]2CCCCC2)CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084709528 562750305 /nfs/dbraw/zinc/75/03/05/562750305.db2.gz PBOUVYGTCAXBDO-MUUNZHRXSA-N 1 0 574.726 3.470 1 0 KGAFRO CC(C)[C@H](NC(=O)[C@H](C)[NH2+]CC1CC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000084722777 562751007 /nfs/dbraw/zinc/75/10/07/562751007.db2.gz SDUJONKIPUMXGG-FAQZDJIUSA-N 1 0 518.702 3.455 1 0 KGAFRO Cc1cccnc1C[NH+]1CCC2(CC1)C(=O)N(c1ccc(-c3ccno3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084724183 562751108 /nfs/dbraw/zinc/75/11/08/562751108.db2.gz AYBBBAJBBDEEQL-UHFFFAOYSA-N 1 0 511.542 3.136 1 0 KGAFRO COc1cc2c(cc1Nc1ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)n1)CC[C@@H]([NH+]1CCN(C)CC1)CC2 ZINC000084725071 562751212 /nfs/dbraw/zinc/75/12/12/562751212.db2.gz UJPMZVCEBZADAD-JPJDGNMPSA-N 1 0 552.123 3.465 1 0 KGAFRO COc1cc2c(cc1Nc1ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)n1)CC[C@H]([NH+]1CCN(C)CC1)CC2 ZINC000084725074 562751194 /nfs/dbraw/zinc/75/11/94/562751194.db2.gz UJPMZVCEBZADAD-WJTOECGUSA-N 1 0 552.123 3.465 1 0 KGAFRO COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)n2)ccc2c1CC[C@H]([NH+]1CCN(C)CC1)CC2 ZINC000084727722 562751405 /nfs/dbraw/zinc/75/14/05/562751405.db2.gz HZNGMZVVNFDRTL-TZLNSBNCSA-N 1 0 552.123 3.465 1 0 KGAFRO COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)n2)ccc2c1CC[C@@H]([NH+]1CCN(C)CC1)CC2 ZINC000084727726 562751397 /nfs/dbraw/zinc/75/13/97/562751397.db2.gz HZNGMZVVNFDRTL-PDULFCFVSA-N 1 0 552.123 3.465 1 0 KGAFRO CC(C)[C@H]([NH3+])C(=O)OC[C@H](O)CNc1nc2c(ncn2C(C)C)c(NCc2ccc(-c3ccccn3)cc2)n1 ZINC000084730397 562751624 /nfs/dbraw/zinc/75/16/24/562751624.db2.gz OOYQNTZOMNZRSG-GGAORHGYSA-N 1 0 532.649 3.381 1 0 KGAFRO Cc1c(Cl)ccc(S(=O)(=O)N(C)C/C=C/C(=O)N(C)Cc2ccc(C3=[NH+]CCN3)cc2)c1Cl ZINC000084730454 562751610 /nfs/dbraw/zinc/75/16/10/562751610.db2.gz BJHLXUFUYYMYHT-SNAWJCMRSA-N 1 0 509.459 3.487 1 0 KGAFRO c1ccc(Cc2nnc(Sc3ccnc(N4CCN(c5cc[nH+]cc5)CC4)n3)n2CCCN2CCOCC2)cc1 ZINC000084731290 562751704 /nfs/dbraw/zinc/75/17/04/562751704.db2.gz GUJYKPWDXKGSEU-UHFFFAOYSA-N 1 0 557.728 3.254 1 0 KGAFRO COc1cccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCNC(N)=[NH2+])n(C)c4)n(C)c3)cc2)c1 ZINC000084732530 562751828 /nfs/dbraw/zinc/75/18/28/562751828.db2.gz IHSPRABKCBFMIM-BQYQJAHWSA-N 1 0 582.665 3.260 1 0 KGAFRO COc1ccc2c(c1)c(CC(=O)NCC[NH+]1CCCC1)c(C)n2C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000084733984 562751895 /nfs/dbraw/zinc/75/18/95/562751895.db2.gz JKLTYDCWGHZCLH-UHFFFAOYSA-N 1 0 509.603 3.427 1 0 KGAFRO c1[nH]c2ccccc2c1Cc1nnc(Sc2ccnc(N3CCN(c4cc[nH+]cc4)CC3)n2)n1CCN1CCOCC1 ZINC000084738902 562751920 /nfs/dbraw/zinc/75/19/20/562751920.db2.gz AOEMCHUZCGNEBA-UHFFFAOYSA-N 1 0 582.738 3.345 1 0 KGAFRO COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(C3CC[NH+](C(C)C)CC3)CC2)c(C)c1 ZINC000084740621 562752058 /nfs/dbraw/zinc/75/20/58/562752058.db2.gz JZLHLOGTQFLDMU-UHFFFAOYSA-N 1 0 523.740 3.308 1 0 KGAFRO CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@H](O)[C@@H]2[C@H](C)[NH+](C)C)[C@@H]2CC[C@H]3[C@@H](O)[C@@H](N4C[C@H](C(C)C)C4=O)C[C@@H](OC(C)=O)[C@]3(C)[C@@H]12 ZINC000084741384 562752173 /nfs/dbraw/zinc/75/21/73/562752173.db2.gz MGQIWOYWPIXNAR-PCXVBIKUSA-N 1 0 590.802 3.103 1 0 KGAFRO CC[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2cc(F)ccc2Cl)CC1(C)C)C(C)C ZINC000084742043 562752224 /nfs/dbraw/zinc/75/22/24/562752224.db2.gz YDVBRBZYWYNERE-JQIPMYIQSA-N 1 0 513.098 3.419 1 0 KGAFRO CCNC(=O)Nc1sc2nccnc2c1C(=O)N1CCC([N@@H+]2CCC[C@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000084758444 562752585 /nfs/dbraw/zinc/75/25/85/562752585.db2.gz DMAOKINPKSSOBB-VWLOTQADSA-N 1 0 514.652 3.245 1 0 KGAFRO CCNC(=O)Nc1sc2nccnc2c1C(=O)N1CCC([N@@H+]2CCC[C@@]3(CC(C)(C)OC3=O)C2)CC1 ZINC000084758445 562752594 /nfs/dbraw/zinc/75/25/94/562752594.db2.gz DMAOKINPKSSOBB-RUZDIDTESA-N 1 0 514.652 3.245 1 0 KGAFRO COC(=O)c1ccc(CNS(=O)(=O)N2CCN(/C(C=[NH2+])=C(\OCC3(C)CC3)C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000084758728 562752741 /nfs/dbraw/zinc/75/27/41/562752741.db2.gz CAHWNZKANYUEEB-FKFGHBOGSA-N 1 0 604.129 3.395 1 0 KGAFRO COCC[NH2+][C@H]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@H]5C=C[C@H](C5)[C@@H]4C(N)=O)n3)c(OC)c2CC1 ZINC000084759159 562752826 /nfs/dbraw/zinc/75/28/26/562752826.db2.gz QUTLMJQMDUXAPK-XKXFETGASA-N 1 0 527.069 3.454 1 0 KGAFRO COCC[NH2+][C@@H]1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@H]5C=C[C@H](C5)[C@@H]4C(N)=O)n3)c(OC)c2CC1 ZINC000084759160 562752825 /nfs/dbraw/zinc/75/28/25/562752825.db2.gz QUTLMJQMDUXAPK-VTFRQLMYSA-N 1 0 527.069 3.454 1 0 KGAFRO COCC[NH2+][C@@H]1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4[C@H]5C=C[C@H](C5)[C@@H]4C(N)=O)n3)c(OC)cc2CC1 ZINC000084759281 562752862 /nfs/dbraw/zinc/75/28/62/562752862.db2.gz PCMYEOULBFYWEU-QZYSWDHYSA-N 1 0 527.069 3.454 1 0 KGAFRO COCC[NH2+][C@H]1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4[C@H]5C=C[C@H](C5)[C@@H]4C(N)=O)n3)c(OC)cc2CC1 ZINC000084759282 562752857 /nfs/dbraw/zinc/75/28/57/562752857.db2.gz PCMYEOULBFYWEU-CVOKMOJFSA-N 1 0 527.069 3.454 1 0 KGAFRO CC1(CO/C(C(=O)Nc2cccc(Cl)c2)=C(/C=[NH2+])N2CCN(S(=O)(=O)NCc3ccc(N)c(F)c3)CC2)CC1 ZINC000084759597 562753033 /nfs/dbraw/zinc/75/30/33/562753033.db2.gz LGYGBRKECGMKNZ-IDFMNWTKSA-N 1 0 579.098 3.330 1 0 KGAFRO Cc1cc(CNS(=O)(=O)N2CCN(/C(C=[NH2+])=C(\OCC3(C)CC3)C(=O)Nc3cccc(Cl)c3)CC2)ccc1N ZINC000084759598 562753031 /nfs/dbraw/zinc/75/30/31/562753031.db2.gz AYXAGJVEMYYBEO-MDCBPPBZSA-N 1 0 575.135 3.499 1 0 KGAFRO COc1cc(CNS(=O)(=O)N2CCN(/C(C=[NH2+])=C(\OCC3(C)CC3)C(=O)Nc3cccc(Cl)c3)CC2)ccc1N ZINC000084759599 562753034 /nfs/dbraw/zinc/75/30/34/562753034.db2.gz CUKXJPIKGWWGJY-ZHSDHNBTSA-N 1 0 591.134 3.199 1 0 KGAFRO Cc1ccc(CNS(=O)(=O)N2CCN(/C(C=[NH2+])=C(\O[C@@H]3CC[C@H](F)C3)C(=O)Nc3cc(F)cc(F)c3)CC2)cc1N ZINC000084759600 562753032 /nfs/dbraw/zinc/75/30/32/562753032.db2.gz ZEZWPXXVGFNBCO-MXYYRBEASA-N 1 0 594.660 3.214 1 0 KGAFRO Cc1ccc(CNS(=O)(=O)N2CCN(/C(C=[NH2+])=C(\O[C@H]3CC[C@H](F)C3)C(=O)Nc3cc(F)cc(F)c3)CC2)cc1N ZINC000084759601 562753014 /nfs/dbraw/zinc/75/30/14/562753014.db2.gz ZEZWPXXVGFNBCO-ZJECEAILSA-N 1 0 594.660 3.214 1 0 KGAFRO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(=O)C1C2CC3CC(C2)CC1C3 ZINC000084923889 562753113 /nfs/dbraw/zinc/75/31/13/562753113.db2.gz BQGKVDONWXCSPJ-KJLJWYPWSA-N 1 0 528.653 3.186 1 0 KGAFRO CC[N@@H+]1C[C@@]2(CC)[C@H]3C[C@H]4[C@@H]1[C@]3([C@H](OC)C[C@@H]2O)[C@]1(O)C[C@@H]2CC[C@]1([C@@H]2OC(=O)c1ccccc1)[C@H]4OC(C)=O ZINC000085487112 560076083 /nfs/dbraw/zinc/07/60/83/560076083.db2.gz YROYERYZKWCGSI-QMYGKMKRSA-N 1 0 553.696 3.191 1 0 biogenic,in-vitro KGAFRO C[NH2+]CC[C@@H](C/C=C/c1ccccc1)CC[NH2+]C[C@@]1(O)[C@@H](O)[C@H](O)[C@@H](C(=O)[O-])O[C@H]1Oc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000085491344 565126869 /nfs/dbraw/zinc/12/68/69/565126869.db2.gz CAPYUBDQSPUWSR-ZHMGKEMKSA-N 1 0 674.747 3.116 1 0 biogenic,in-vitro KGAFRO COC(=O)C[C@](O)(CCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@@]23CCC[N@H+]2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000085493136 560075002 /nfs/dbraw/zinc/07/50/02/560075002.db2.gz WRCBXHDQHPUVHW-CDRKEARJSA-N 1 0 515.603 3.076 1 0 biogenic,in-vitro KGAFRO COc1ccc([C@@H]2Oc3ccc4cc3[C@H]2C(=O)N2CCCC[NH2+]CCCN[C@H]4CC(=O)NCCC2)cc1OC ZINC000085504890 291790659 /nfs/dbraw/zinc/79/06/59/291790659.db2.gz ROGWZMZVDLVUGM-QKZGOTKPSA-N 1 0 536.673 3.064 1 0 biogenic,in-vitro KGAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]5[N@@H+]4[C@H]3C[C@H]3CCC4=CC[C@H](C)C[C@H]4[C@@]35O)[C@H]2[C@@H]1CO ZINC000085532154 560073060 /nfs/dbraw/zinc/07/30/60/560073060.db2.gz JJJFWBXEOCXJSH-UNKIFQLOSA-N 1 0 563.691 3.465 1 0 biogenic,in-vitro KGAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3C[C@@H]4CCC5=CC[C@@H](C)C[C@@H]5[C@]4(O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1CO)[N@H+]34 ZINC000085532156 560073090 /nfs/dbraw/zinc/07/30/90/560073090.db2.gz RXFIOAUAVVBJGU-SCOWQIRCSA-N 1 0 539.669 3.299 1 0 biogenic,in-vitro KGAFRO COC1=C(CO)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]5[N@@H+]4[C@H]3CC[C@]5(O)[C@H]3C=CC[C@@H](C)C3)[C@H]2[C@@H]1CO ZINC000085532264 560073024 /nfs/dbraw/zinc/07/30/24/560073024.db2.gz 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C[NH2+]CC1CCC(Oc2cc(CC[C@@H](C[C@@H](O)[C@H](CO)Cc3cc(OC)c(O)c(OC)c3)OCO)ccc2O)CC1 ZINC000085595675 560063722 /nfs/dbraw/zinc/06/37/22/560063722.db2.gz ORUFXRVDYWGEBC-YXOYMHQISA-N 1 0 577.715 3.142 1 0 biogenic,in-vitro KGAFRO CNCC(=O)O[C@H](C1([C@@H](CCC[C@H](C)O)OC(C)=O)CCCC1)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1 ZINC000085596792 560063210 /nfs/dbraw/zinc/06/32/10/560063210.db2.gz BIMPVXRLDODWNH-OEQAEZTDSA-N 1 0 548.721 3.488 1 0 biogenic,in-vitro KGAFRO CCCC[C@H](CCCO)[C@H](C[C@@H](OC(=O)CNC)C1(Cc2ccc(O)c(OC)c2)CC[NH2+]CC1)OC(C)=O ZINC000085596812 291780548 /nfs/dbraw/zinc/78/05/48/291780548.db2.gz IVULXKQCUWIZQZ-NRRYGQPISA-N 1 0 536.710 3.345 1 0 biogenic,in-vitro KGAFRO COc1cc(CC2([C@@H](C[C@H](OC(C)=O)[C@H](CCCO)CC[C@H](C)O)OC(C)=O)CC[NH2+]CC2)ccc1O ZINC000085596814 291787358 /nfs/dbraw/zinc/78/73/58/291787358.db2.gz BPIUHOGDBPNQGP-RDSMWHQTSA-N 1 0 523.667 3.116 1 0 biogenic,in-vitro KGAFRO CNC(=[NH2+])N[C@@](CCCC(O)=CC(=O)CCc1ccc(O)c(OC)c1)(CCn1ccnc1)Cc1ccc(O)cc1 ZINC000085627035 560069070 /nfs/dbraw/zinc/06/90/70/560069070.db2.gz GJTPSEJOOZGBDW-PMERELPUSA-O 1 0 550.680 3.169 1 0 biogenic,in-vitro KGAFRO COC1=C(Br)C[C@]2(ON=C(C(=O)NCCCOc3c(Br)cc([C@H](O)C[NH3+])cc3Br)[C@H]2O)OC=C1Br ZINC000085810871 562753412 /nfs/dbraw/zinc/75/34/12/562753412.db2.gz REZAYKBREJXSAG-QFIXIFRTSA-N 1 0 749.045 3.442 1 0 KGAFRO CC(C)C[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=C\c2ccc(cc2)O[C@H]1C(C)C)[NH+](C)C ZINC000086003493 560066118 /nfs/dbraw/zinc/06/61/18/560066118.db2.gz KNWLTQIEQCDNSD-SPZUWTHGSA-N 1 0 534.701 3.379 1 0 biogenic,in-vitro KGAFRO CC(C)C[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=C\c2ccc(cc2)O[C@H]1C(C)C)[NH+](C)C ZINC000086003496 562753460 /nfs/dbraw/zinc/75/34/60/562753460.db2.gz KNWLTQIEQCDNSD-DHTHWDMLSA-N 1 0 534.701 3.379 1 0 KGAFRO CC[C@H](C)[C@H](NC(=O)C[C@@H]([NH3+])[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 ZINC000095536525 562753931 /nfs/dbraw/zinc/75/39/31/562753931.db2.gz XXMFNJNYWDVWMY-XZOVBKFISA-N 1 0 761.969 3.064 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)nn2C[C@H](O)C[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000095538492 562754852 /nfs/dbraw/zinc/75/48/52/562754852.db2.gz RPHMLZQVRGKSSS-AREMUKBSSA-N 1 0 792.903 3.088 1 0 KGAFRO CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCC(=O)N4CCOCC4)c3)nn2C[C@@H](O)C[NH+]2CCC(N3C(=O)COc4ccccc43)CC2)C1 ZINC000095538493 562754878 /nfs/dbraw/zinc/75/48/78/562754878.db2.gz RPHMLZQVRGKSSS-SANMLTNESA-N 1 0 792.903 3.088 1 0 KGAFRO C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCC(N)=[NH2+])n(C)c5)n(C)c4)n(C)c3)n(C)c2)n(C)c1 ZINC000095539834 562755297 /nfs/dbraw/zinc/75/52/97/562755297.db2.gz KCTMGFYSTRUBLT-UHFFFAOYSA-N 1 0 830.705 3.291 1 0 KGAFRO CC[C@]1(C)C[C@@H](OC(=O)CS(=O)(=O)C2CCN(C(=O)CCn3cnc4c3ncnc4N3CC[C@H]([NH3+])C3)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000095539839 562755314 /nfs/dbraw/zinc/75/53/14/562755314.db2.gz 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FOQMVKNXEUJYCI-BDYUSTAISA-N 1 0 511.626 3.203 1 0 KGAFRO Cc1c(Cl)ccc(OC2CC[NH+](C[C@H](O)CNC(=O)c3c[nH]c(=O)c4ccc(S(C)(=O)=O)cc34)CC2)c1Cl ZINC000095559830 562762920 /nfs/dbraw/zinc/76/29/20/562762920.db2.gz YMYZSITWBGWUAF-MRXNPFEDSA-N 1 0 582.506 3.181 1 0 KGAFRO Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[n+](C)c2s1 ZINC000095559993 562762953 /nfs/dbraw/zinc/76/29/53/562762953.db2.gz YFPYHKSOTMFYSY-DEOSSOPVSA-O 1 0 550.661 3.454 1 0 KGAFRO CC1(C)O[C@@H]2N3[C@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@@H+]5Cc4ccccc4)[C@H]1O7)[C@@H]3OC2(C)C ZINC000095561050 562763242 /nfs/dbraw/zinc/76/32/42/562763242.db2.gz XQCFLBQQSWNZRE-DYGSONBPSA-N 1 0 546.664 3.413 1 0 KGAFRO Cn1cc(C(=O)NC[C@@H](O)C[NH+]2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c(C(F)(F)F)cc1=O ZINC000095561837 562763523 /nfs/dbraw/zinc/76/35/23/562763523.db2.gz FLTAIVXWWOKLBO-CYBMUJFWSA-N 1 0 522.351 3.345 1 0 KGAFRO Cc1csc2n1cc(CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)OC(C)C)cc1)[n+]2C ZINC000095561909 562763501 /nfs/dbraw/zinc/76/35/01/562763501.db2.gz KCLCTPSCFVOYGG-DEOSSOPVSA-O 1 0 550.661 3.454 1 0 KGAFRO O=C(NC[C@@H](O)C[NH+]1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1c[nH]c(=O)cc1C(F)(F)F ZINC000095561933 562763549 /nfs/dbraw/zinc/76/35/49/562763549.db2.gz SKXJKSJHHFLVAP-GFCCVEGCSA-N 1 0 508.324 3.335 1 0 KGAFRO COc1ccc(-c2csc(C3(NC(=O)C[C@H]([NH3+])Cc4ccccc4F)CCS(=O)(=O)CC3)n2)cc1 ZINC000095562268 562763640 /nfs/dbraw/zinc/76/36/40/562763640.db2.gz GHKNTZCUCMEENV-LJQANCHMSA-N 1 0 517.648 3.438 1 0 KGAFRO Cc1c(Cl)ccc(OC2CC[NH+](C[C@H](O)CNC(=O)c3c[nH]c(=O)c4cc(S(C)(=O)=O)ccc34)CC2)c1Cl ZINC000095562747 562763797 /nfs/dbraw/zinc/76/37/97/562763797.db2.gz LQCZDIMQFUOGJG-MRXNPFEDSA-N 1 0 582.506 3.181 1 0 KGAFRO CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@@H+]5Cc4ccccc4)[C@H]1O7)[C@H]3OC2(C)C ZINC000095563601 562764044 /nfs/dbraw/zinc/76/40/44/562764044.db2.gz XQCFLBQQSWNZRE-IVNFQQFMSA-N 1 0 546.664 3.413 1 0 KGAFRO CCN(CC)C(=O)c1ccc(C(c2c(C)cc(NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)NC)cc2C)=C2CC[NH2+]CC2)cc1 ZINC000095564952 562764523 /nfs/dbraw/zinc/76/45/23/562764523.db2.gz QLPLYMKKSZCTDJ-UHFFFAOYSA-N 1 0 720.912 3.091 1 0 KGAFRO C[C@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095568508 562766678 /nfs/dbraw/zinc/76/66/78/562766678.db2.gz DNKUYHDHYPGMDW-DVHCVUMVSA-N 1 0 546.624 3.415 1 0 KGAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095569720 562767596 /nfs/dbraw/zinc/76/75/96/562767596.db2.gz DNKUYHDHYPGMDW-OWOAZTCBSA-N 1 0 546.624 3.415 1 0 KGAFRO CN1C(=O)c2cc(NC(=O)c3cccs3)ccc2OC[C@H]2O[C@H](CC(=O)NCC[NH+]3CCCCC3)CC[C@@H]21 ZINC000095569785 562767654 /nfs/dbraw/zinc/76/76/54/562767654.db2.gz IAFVJPYOGKOLFQ-ODGPQVTHSA-N 1 0 540.686 3.373 1 0 KGAFRO CC(C)CN(C)C(=O)[C@@H]([NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@H](C)O ZINC000095573343 562769677 /nfs/dbraw/zinc/76/96/77/562769677.db2.gz XOPQRGGKQAVXBQ-XXTIZMNHSA-N 1 0 679.884 3.368 1 0 KGAFRO C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]CC4CCOCC4)c4ccc(Cl)cc4)CC3)c21 ZINC000095573430 562769674 /nfs/dbraw/zinc/76/96/74/562769674.db2.gz ROHAVZMZAUESFZ-SXSPYAJSSA-N 1 0 514.070 3.119 1 0 KGAFRO [NH3+]CCNc1nc2c([nH]1)c(I)c(I)c(I)c2I ZINC000095575528 562770331 /nfs/dbraw/zinc/77/03/31/562770331.db2.gz UJUHXCZNJSKGCU-UHFFFAOYSA-N 1 0 679.807 3.352 1 0 KGAFRO C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](C[NH2+]C4CCOCC4)c4ccc(Cl)c(F)c4)CC3)c21 ZINC000095575797 562770425 /nfs/dbraw/zinc/77/04/25/562770425.db2.gz PSNRYUGYGZTZSY-ZWDAVXSWSA-N 1 0 518.033 3.011 1 0 KGAFRO CC(C)CNC(=O)[C@@H]([NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)S(C)(=O)=O)c1)[C@H](C)O ZINC000095576260 562770556 /nfs/dbraw/zinc/77/05/56/562770556.db2.gz UZFAOTIMARRSKT-QRMRYRAMSA-N 1 0 665.857 3.026 1 0 KGAFRO COCC(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@H](O)C[NH2+][C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 ZINC000095577432 562770953 /nfs/dbraw/zinc/77/09/53/562770953.db2.gz VNRFICGTYGICPO-KMDXXIMOSA-N 1 0 539.673 3.470 1 0 KGAFRO C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[C@@H]([NH+](C)C)C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095578168 562771148 /nfs/dbraw/zinc/77/11/48/562771148.db2.gz KIWYEAPLDOPERF-WMLDXEAASA-N 1 0 531.576 3.171 1 0 KGAFRO Cn1c(NCC[NH3+])nc2c1c(I)c(I)c(I)c2I ZINC000095578423 562771261 /nfs/dbraw/zinc/77/12/61/562771261.db2.gz QAUUNWLYGLDXDS-UHFFFAOYSA-N 1 0 693.834 3.362 1 0 KGAFRO CCC[C@H](O)[C@H]([NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc2c(CC)cn3c2c(c1)N(C)S(=O)(=O)CC3)C(=O)NCC(C)C ZINC000095578666 562771355 /nfs/dbraw/zinc/77/13/55/562771355.db2.gz LWOMHNWWEBISDH-NSGJQZOKSA-N 1 0 625.836 3.216 1 0 KGAFRO C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC[C@H]([NH+](C)C)C1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000095578772 562771340 /nfs/dbraw/zinc/77/13/40/562771340.db2.gz KIWYEAPLDOPERF-YOEHRIQHSA-N 1 0 531.576 3.171 1 0 KGAFRO COc1cc(C2CC[NH+](CC(N)=O)CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 ZINC000095580575 562771857 /nfs/dbraw/zinc/77/18/57/562771857.db2.gz HATRKFPXWDUKPL-UHFFFAOYSA-N 1 0 563.684 3.209 1 0 KGAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(-c2cccc(Cl)c2)o1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095580801 562771939 /nfs/dbraw/zinc/77/19/39/562771939.db2.gz XDKHOXUCFPWFSE-BHHRYGRISA-N 1 0 751.329 3.236 1 0 KGAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccn(-c2cc(Cl)cc(Cl)c2)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095581388 562772177 /nfs/dbraw/zinc/77/21/77/562772177.db2.gz QIHQRPPMOXHDOS-SXNPCDIMSA-N 1 0 784.790 3.420 1 0 KGAFRO CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000095581846 562772346 /nfs/dbraw/zinc/77/23/46/562772346.db2.gz VYEBALSIYGLDQK-SLUOTGAWSA-N 1 0 799.805 3.124 1 0 KGAFRO [NH3+]CCNCCNC(=O)COc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000095582737 562772695 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C[NH+]1CCN(c2ccc(NC(=O)Nc3nc4cccc(-c5ccc(S(C)(=O)=O)cc5)n4n3)cc2)CC1 ZINC000096169615 562790741 /nfs/dbraw/zinc/79/07/41/562790741.db2.gz MIJHXEBQHOJJFL-UHFFFAOYSA-N 1 0 505.604 3.196 1 0 KGAFRO C[C@@H](O)C[NH+]1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1 ZINC000096169665 562790736 /nfs/dbraw/zinc/79/07/36/562790736.db2.gz HUFMQXVFIMXNJK-LJQANCHMSA-N 1 0 506.632 3.046 1 0 KGAFRO CC(C)(O)C[NH+]1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1 ZINC000096169666 562790721 /nfs/dbraw/zinc/79/07/21/562790721.db2.gz MTJGYWYWEIRNAC-UHFFFAOYSA-N 1 0 520.659 3.436 1 0 KGAFRO CN(c1ccccc1CNc1cccn2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc12)S(C)(=O)=O ZINC000096169669 562790727 /nfs/dbraw/zinc/79/07/27/562790727.db2.gz FBNSWOGDILACLV-UHFFFAOYSA-N 1 0 520.663 3.233 1 0 KGAFRO CN(c1ccccc1CNc1cccn2nc(Nc3cccc(N4CC[NH+](C)CC4)c3)nc12)S(C)(=O)=O ZINC000096169670 562790777 /nfs/dbraw/zinc/79/07/77/562790777.db2.gz DDQHOFUNXAOJKD-UHFFFAOYSA-N 1 0 520.663 3.233 1 0 KGAFRO CN(Cc1ccccc1CNc1cccn2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc12)S(C)(=O)=O ZINC000096169678 562790795 /nfs/dbraw/zinc/79/07/95/562790795.db2.gz YYRRPDZAOXPOAD-UHFFFAOYSA-N 1 0 534.690 3.228 1 0 KGAFRO CN(Cc1ccccc1CNc1cccn2nc(Nc3cccc(N4CC[NH+](C)CC4)c3)nc12)S(C)(=O)=O ZINC000096169679 562790756 /nfs/dbraw/zinc/79/07/56/562790756.db2.gz BYGYBYAJUHLQRR-UHFFFAOYSA-N 1 0 534.690 3.228 1 0 KGAFRO CN(c1cccc(CNc2cccn3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4)nc23)c1)S(C)(=O)=O ZINC000096169691 562790781 /nfs/dbraw/zinc/79/07/81/562790781.db2.gz CTYCHUJGUDUIAM-UHFFFAOYSA-N 1 0 520.663 3.233 1 0 KGAFRO CN(Cc1ccccc1Nc1cccn2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc12)S(C)(=O)=O ZINC000096169693 562790771 /nfs/dbraw/zinc/79/07/71/562790771.db2.gz DUEHFNZJWLDLBA-UHFFFAOYSA-N 1 0 520.663 3.360 1 0 KGAFRO CN(Cc1ccccc1Nc1cccn2nc(Nc3cccc(N4CC[NH+](C)CC4)c3)nc12)S(C)(=O)=O ZINC000096169694 562790784 /nfs/dbraw/zinc/79/07/84/562790784.db2.gz OCIVFVLUSMCSQC-UHFFFAOYSA-N 1 0 520.663 3.360 1 0 KGAFRO CN(Cc1cccc(-c2cccn3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4)nc23)c1)S(C)(=O)=O ZINC000096169697 562790789 /nfs/dbraw/zinc/79/07/89/562790789.db2.gz PRWKEOMWFRTULJ-UHFFFAOYSA-N 1 0 505.648 3.283 1 0 KGAFRO CN(Cc1cccc(-c2cccn3nc(Nc4cccc(N5CC[NH+](C)CC5)c4)nc23)c1)S(C)(=O)=O ZINC000096169698 562790758 /nfs/dbraw/zinc/79/07/58/562790758.db2.gz DKEWGUUKVYCSAF-UHFFFAOYSA-N 1 0 505.648 3.283 1 0 KGAFRO CN(Cc1ccccc1N(C)S(C)(=O)=O)c1cccn2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc12 ZINC000096169706 562790754 /nfs/dbraw/zinc/79/07/54/562790754.db2.gz OWEREPUIVDJBJZ-UHFFFAOYSA-N 1 0 534.690 3.257 1 0 KGAFRO CN(c1ccccc1CCc1cccn2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc12)S(C)(=O)=O ZINC000096169714 562790792 /nfs/dbraw/zinc/79/07/92/562790792.db2.gz OJBMHPTUTSLBOR-UHFFFAOYSA-N 1 0 519.675 3.406 1 0 KGAFRO CN(c1ccccc1COc1cccn2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc12)S(C)(=O)=O ZINC000096169715 562790764 /nfs/dbraw/zinc/79/07/64/562790764.db2.gz DZTXICSQKJSHPP-UHFFFAOYSA-N 1 0 521.647 3.200 1 0 KGAFRO CC(=O)Nc1nc(CCc2ccc(NC(N)=[NH2+])cc2)c(Cc2ccc(S(=O)(=O)N(C)C)cc2)s1 ZINC000096258712 562792975 /nfs/dbraw/zinc/79/29/75/562792975.db2.gz ZHSWODVFGUHKOB-UHFFFAOYSA-N 1 0 500.650 3.033 1 0 KGAFRO COc1cc(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N1CCc3cccc(c31)C(=O)N2C ZINC000096270215 562793174 /nfs/dbraw/zinc/79/31/74/562793174.db2.gz UWHQAHZPBAISBU-UHFFFAOYSA-N 1 0 582.709 3.365 1 0 KGAFRO CC[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ncccc1C ZINC000096270486 562793195 /nfs/dbraw/zinc/79/31/95/562793195.db2.gz IQIZXIDSFRBNHY-CBQOVEMMSA-N 1 0 502.059 3.214 1 0 KGAFRO Cc1cccc(NC(=O)[C@@H](C[C@H](O)[C@@H]([NH3+])CN2CC(=O)N(c3ccccc3Cl)CC2(C)C)C(C)C)n1 ZINC000096270487 562793209 /nfs/dbraw/zinc/79/32/09/562793209.db2.gz VHBDKZHYKHNEKG-RRPUWOKSSA-N 1 0 516.086 3.460 1 0 KGAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ncc(F)cc1F ZINC000096270489 562793189 /nfs/dbraw/zinc/79/31/89/562793189.db2.gz OANJQCSHPKVHKG-XJABCFGWSA-N 1 0 538.039 3.430 1 0 KGAFRO CC[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)cn1 ZINC000096270490 562793275 /nfs/dbraw/zinc/79/32/75/562793275.db2.gz QKTUTYYRRYUCPR-PBEJRMEISA-N 1 0 506.022 3.045 1 0 KGAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)cn1 ZINC000096270491 562793263 /nfs/dbraw/zinc/79/32/63/562793263.db2.gz HZBUIXYJBJCFHE-VCOUNFBDSA-N 1 0 520.049 3.291 1 0 KGAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccncc1 ZINC000096270498 562793224 /nfs/dbraw/zinc/79/32/24/562793224.db2.gz ZCPCTTGIWPMMDV-RRPUWOKSSA-N 1 0 502.059 3.151 1 0 KGAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1cccnc1 ZINC000096270500 562793253 /nfs/dbraw/zinc/79/32/53/562793253.db2.gz AAUPEPMDPIODPY-RRPUWOKSSA-N 1 0 502.059 3.151 1 0 KGAFRO CC(C)[C@H](C[C@H](O)[C@@H]([NH3+])CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccccn1 ZINC000096270501 562793267 /nfs/dbraw/zinc/79/32/67/562793267.db2.gz HXIYKPJHHVMGIL-VCOUNFBDSA-N 1 0 502.059 3.151 1 0 KGAFRO C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CC[NH2+]CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270984 562793588 /nfs/dbraw/zinc/79/35/88/562793588.db2.gz QVKFVWSGIQPFBY-AWEZNQCLSA-N 1 0 532.560 3.409 1 0 KGAFRO C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CC[NH2+]CC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000096270985 562793663 /nfs/dbraw/zinc/79/36/63/562793663.db2.gz QVKFVWSGIQPFBY-CQSZACIVSA-N 1 0 532.560 3.409 1 0 KGAFRO COc1ccnc(-c2nc(C)c(Cl)c(NC[C@H](NC(=O)CCCN3CC[NH2+]CC3)c3ccccc3)n2)c1 ZINC000096271224 562793731 /nfs/dbraw/zinc/79/37/31/562793731.db2.gz PWPQIEUUVHPJDV-QHCPKHFHSA-N 1 0 524.069 3.464 1 0 KGAFRO COc1ccc(-c2nc(C)c(Cl)c(NC[C@H](NC(=O)CCCN3CC[NH2+]CC3)c3ccccc3)n2)nc1 ZINC000096271231 562793741 /nfs/dbraw/zinc/79/37/41/562793741.db2.gz XCAJLUVLKKMRAC-QHCPKHFHSA-N 1 0 524.069 3.464 1 0 KGAFRO COc1cccnc1-c1nc(C)c(Cl)c(NC[C@H](NC(=O)CCCN2CC[NH2+]CC2)c2ccccc2)n1 ZINC000096271233 562793789 /nfs/dbraw/zinc/79/37/89/562793789.db2.gz VLRQDEYLMBEMCJ-NRFANRHFSA-N 1 0 524.069 3.464 1 0 KGAFRO COc1cccc(-c2nc(C)c(Cl)c(NC[C@H](NC(=O)CCCN3CC[NH2+]CC3)c3ccccc3)n2)n1 ZINC000096271235 562793748 /nfs/dbraw/zinc/79/37/48/562793748.db2.gz BYIRXFDIJRLJDH-QFIPXVFZSA-N 1 0 524.069 3.464 1 0 KGAFRO Cc1nc(-c2ccccn2)nc(NC[C@H](NC(=O)CCC[NH+]2CCN(CCO)CC2)c2ccccc2)c1Cl ZINC000096271244 562793784 /nfs/dbraw/zinc/79/37/84/562793784.db2.gz QACWKSJESHQSRJ-DEOSSOPVSA-N 1 0 538.096 3.160 1 0 KGAFRO Cc1ccc(C(=O)N2CC[C@H](O)C2)c(OC[C@@H](O)C[NH+]2CCC3(Cc4cc(Cl)ccc4O3)CC2)c1 ZINC000096271618 562793831 /nfs/dbraw/zinc/79/38/31/562793831.db2.gz ZABJYWYLRODREW-VXKWHMMOSA-N 1 0 501.023 3.065 1 0 KGAFRO COc1cc(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)ccc1C(=O)NC1CC[NH+](C)CC1 ZINC000096271645 562793877 /nfs/dbraw/zinc/79/38/77/562793877.db2.gz JMBATVPHKFZTAF-UHFFFAOYSA-N 1 0 543.619 3.414 1 0 KGAFRO Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CC[NH+](C)CC3)CC2)cc2c[nH]nc21 ZINC000096271995 562793980 /nfs/dbraw/zinc/79/39/80/562793980.db2.gz JJVAPHYEOZSKJZ-JGCGQSQUSA-N 1 0 638.817 3.452 1 0 KGAFRO CCCc1sc(-c2cc(F)cc(OCCNS(C)(=O)=O)c2)nc1CSc1nc(N)cc(N)[nH+]1 ZINC000096283900 562795035 /nfs/dbraw/zinc/79/50/35/562795035.db2.gz VZMDEJBFLZUPFK-UHFFFAOYSA-N 1 0 512.658 3.076 1 0 KGAFRO COc1ccc2cc(Br)ccc2c1CN1c2ccccc2CC[C@H](NC(=O)[C@@H]([NH3+])[C@H](C)O)C1=O ZINC000096285030 562795429 /nfs/dbraw/zinc/79/54/29/562795429.db2.gz YRFALZLFBOWGKJ-WIRXAFICSA-N 1 0 526.431 3.283 1 0 KGAFRO Nc1cc(C[NH+]2CCC(C(=O)N3CCC(n4c5ccc(F)cc5n(-c5ccccn5)c4=O)CC3)CC2)ccn1 ZINC000096285304 562795468 /nfs/dbraw/zinc/79/54/68/562795468.db2.gz ILGIWHFMFHNSOO-UHFFFAOYSA-N 1 0 529.620 3.379 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc32)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C ZINC000096285533 562795789 /nfs/dbraw/zinc/79/57/89/562795789.db2.gz QWYSUQIZLNHTSH-VFUKXHBFSA-N 1 0 645.576 3.017 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3c(Br)cccc32)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C ZINC000096285534 562795794 /nfs/dbraw/zinc/79/57/94/562795794.db2.gz PXWZNFSPEPDNTD-VFUKXHBFSA-N 1 0 645.576 3.017 1 0 KGAFRO [NH3+]CCCCNC(=O)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 ZINC000096286253 562796091 /nfs/dbraw/zinc/79/60/91/562796091.db2.gz IUWPWNVYTHYXHK-HHHXNRCGSA-N 1 0 545.684 3.144 1 0 KGAFRO [NH3+][C@@H]1CCc2cccc(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4)NC(=O)[C@H]4Cc5ccccc5CN4)CC3)c2C1 ZINC000096309535 562796468 /nfs/dbraw/zinc/79/64/68/562796468.db2.gz QWNBVDNCFXIFBS-MJLPRTPSSA-N 1 0 572.153 3.247 1 0 KGAFRO CN(C(=O)CCC(=O)C[NH3+])[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000096894176 562796729 /nfs/dbraw/zinc/79/67/29/562796729.db2.gz OKDSNTCCQRCVQB-YKKXUYLKSA-N 1 0 774.963 3.059 1 0 KGAFRO CN(C(=O)[C@H](CC1CCCCC1)NC(=O)CCC(=O)C[NH3+])[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O ZINC000096900039 562796739 /nfs/dbraw/zinc/79/67/39/562796739.db2.gz QMFBKQDNYZRVBO-GTKRZRNESA-N 1 0 766.984 3.444 1 0 KGAFRO CC(C)C[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C)[NH+](C)C ZINC000096902248 562797301 /nfs/dbraw/zinc/79/73/01/562797301.db2.gz NZSLQDJARYZBJR-GANKZJCUSA-N 1 0 500.684 3.183 1 0 KGAFRO Cc1cccc2c1O[P@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@@H]([NH3+])C(C)C)OC2 ZINC000096902666 562797509 /nfs/dbraw/zinc/79/75/09/562797509.db2.gz NPYWCCNPPLUOGS-MQZSQGTPSA-N 1 0 614.386 3.127 1 0 KGAFRO Cc1cccc2c1O[P@@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@@H]([NH3+])C(C)C)OC2 ZINC000096902667 562797542 /nfs/dbraw/zinc/79/75/42/562797542.db2.gz NPYWCCNPPLUOGS-GJNFYKBRSA-N 1 0 614.386 3.127 1 0 KGAFRO Cc1cccc2c1O[P@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@H]([NH3+])C(C)C)OC2 ZINC000096902809 562797678 /nfs/dbraw/zinc/79/76/78/562797678.db2.gz NPYWCCNPPLUOGS-DGHDSUODSA-N 1 0 614.386 3.127 1 0 KGAFRO Cc1cccc2c1O[P@@](=O)(OC[C@H]1O[C@@H](n3cc(C=CBr)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@H]([NH3+])C(C)C)OC2 ZINC000096902810 562797680 /nfs/dbraw/zinc/79/76/80/562797680.db2.gz NPYWCCNPPLUOGS-OMQANOBCSA-N 1 0 614.386 3.127 1 0 KGAFRO COc1ccccc1N1CC[NH+](CCCCn2ncc(N3CCN(C[C@@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000096903426 562797958 /nfs/dbraw/zinc/79/79/58/562797958.db2.gz XYROPSFBFQKSKE-RUZDIDTESA-N 1 0 609.171 3.470 1 0 KGAFRO COc1ccccc1N1CC[NH+](CCCCn2ncc(N3CCN(C[C@H]4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1 ZINC000096903427 562797963 /nfs/dbraw/zinc/79/79/63/562797963.db2.gz XYROPSFBFQKSKE-VWLOTQADSA-N 1 0 609.171 3.470 1 0 KGAFRO CC[C@H](C)[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C)[NH+](C)C ZINC000096903766 562798013 /nfs/dbraw/zinc/79/80/13/562798013.db2.gz PFSHVBJLBKINQV-HEPVXVMXSA-N 1 0 534.701 3.379 1 0 KGAFRO COCCCn1c2c3cc(-c4cnn(C)c4)ccc3oc2c(-c2ccc(N3CC[NH+](C)CC3)nc2)nc1=O ZINC000096906339 562798765 /nfs/dbraw/zinc/79/87/65/562798765.db2.gz WMBYTIHDUMPSEN-UHFFFAOYSA-N 1 0 513.602 3.394 1 0 KGAFRO NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)OCc1ccccc1 ZINC000096909259 562799525 /nfs/dbraw/zinc/79/95/25/562799525.db2.gz NKQIXAJNNAGYCR-UIOOFZCWSA-N 1 0 502.615 3.290 1 0 KGAFRO NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(-c2cccs2)cc1)NC(=O)OCc1ccccc1 ZINC000096909266 562799558 /nfs/dbraw/zinc/79/95/58/562799558.db2.gz QVSGVZXBAFKBMA-GOTSBHOMSA-N 1 0 508.644 3.352 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](Oc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C ZINC000096910332 562799933 /nfs/dbraw/zinc/79/99/33/562799933.db2.gz QKPXPZYQPBWDHS-LSMDWJNFSA-N 1 0 534.701 3.368 1 0 KGAFRO C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](c2ccccc2)C[C@H]1C(=O)NCc1c[nH]c2ccccc12)C(C)(C)C ZINC000096910336 562800005 /nfs/dbraw/zinc/80/00/05/562800005.db2.gz NBGBDBYLJZYVJF-JBEHBBEPSA-N 1 0 517.674 3.308 1 0 KGAFRO O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1ncc2ccccc2c1O ZINC000096910463 562800012 /nfs/dbraw/zinc/80/00/12/562800012.db2.gz ZPOAEHPRIWDCTN-STKWSZKVSA-N 1 0 513.594 3.009 1 0 KGAFRO COC1=C(Br)C[C@]2(ON=C(C(=O)NCCCOc3c(Br)cc([C@@H](O)C[NH3+])cc3Br)[C@H]2O)OC=C1Br ZINC000096911585 562800206 /nfs/dbraw/zinc/80/02/06/562800206.db2.gz REZAYKBREJXSAG-NYSBEXSLSA-N 1 0 749.045 3.442 1 0 KGAFRO O=C(Cc1cc2ccccc2cn1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5 ZINC000096913978 562800717 /nfs/dbraw/zinc/80/07/17/562800717.db2.gz NVBRNLISXDHYIA-CBDXKTNESA-N 1 0 511.622 3.232 1 0 KGAFRO CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC1CCCCC1)C(N)=O ZINC000096915679 562801091 /nfs/dbraw/zinc/80/10/91/562801091.db2.gz JVVFPJAXGHKGDZ-MUFAAYGBSA-N 1 0 616.807 3.381 1 0 KGAFRO NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000096915681 562801063 /nfs/dbraw/zinc/80/10/63/562801063.db2.gz NGKGOYSNALACOZ-KNYYLJOQSA-N 1 0 650.824 3.433 1 0 KGAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[C@@H](C)OC(=O)O[C@H]3CCCCc4ccccc43)=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000096921565 562801493 /nfs/dbraw/zinc/80/14/93/562801493.db2.gz BNIWPPOGRBBRJD-KGKAOEPPSA-N 1 0 615.749 3.118 1 0 KGAFRO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O[C@H](C)OC(=O)O[C@H]3CCCCc4ccccc43)=C(S[C@@H]3C[NH2+][C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12 ZINC000096921566 562801492 /nfs/dbraw/zinc/80/14/92/562801492.db2.gz BNIWPPOGRBBRJD-FNMOPHPPSA-N 1 0 615.749 3.118 1 0 KGAFRO CC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)[N@@H+]1CCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096921585 562801495 /nfs/dbraw/zinc/80/14/95/562801495.db2.gz SCBMIPRLUMUAGV-ZSLXANFHSA-N 1 0 516.682 3.484 1 0 KGAFRO O=C(Cc1cccc(F)c1)NCCNC(=O)C1(NC(=O)c2ccc(C(F)(F)F)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000096921954 562801608 /nfs/dbraw/zinc/80/16/08/562801608.db2.gz QAGJXNAWTWZBDS-UHFFFAOYSA-N 1 0 585.602 3.479 1 0 KGAFRO O=C(Cc1ccc(F)cc1)NCCNC(=O)C1(NC(=O)c2ccc(C(F)(F)F)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000096921955 562801606 /nfs/dbraw/zinc/80/16/06/562801606.db2.gz RPKJBAHVEZNAFP-UHFFFAOYSA-N 1 0 585.602 3.479 1 0 KGAFRO COc1ccc(CC(=O)NCCNC(=O)C2(NC(=O)c3ccc(C(F)(F)F)nc3)CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000096921956 562801639 /nfs/dbraw/zinc/80/16/39/562801639.db2.gz ZIKSYAODNSWNLO-UHFFFAOYSA-N 1 0 627.664 3.357 1 0 KGAFRO O=C(Cc1ccc(F)cc1)NCCNC(=O)C1(NC(=O)c2cccs2)CC[NH+](Cc2ccccc2)CC1 ZINC000096921957 562801602 /nfs/dbraw/zinc/80/16/02/562801602.db2.gz KRJMWENBTQQNRV-UHFFFAOYSA-N 1 0 522.646 3.127 1 0 KGAFRO O=C(Nc1ccccc1)[C@H]1N(CC2CC2)[C@]23CC[C@]1(O)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@@H+](CC2CC2)CC[C@]513 ZINC000096924003 562802223 /nfs/dbraw/zinc/80/22/23/562802223.db2.gz GPOSGNHLAGTWFO-KYQXKPSKSA-N 1 0 527.665 3.428 1 0 KGAFRO O=C(Nc1ccccc1)[C@@H]1N(CC2CC2)[C@]23CC[C@]1(O)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@@H+](CC2CC2)CC[C@]513 ZINC000096924004 562802209 /nfs/dbraw/zinc/80/22/09/562802209.db2.gz GPOSGNHLAGTWFO-KLOBKYGRSA-N 1 0 527.665 3.428 1 0 KGAFRO COc1ccc(NC(=O)/C=C/C[NH+](C)C)cc1Nc1ncc([S@](C)=O)c(-c2cnn3ccccc23)n1 ZINC000096937805 562804376 /nfs/dbraw/zinc/80/43/76/562804376.db2.gz WALUXXPDOYDGOU-NUZWHEDLSA-N 1 0 505.604 3.337 1 0 KGAFRO COc1ccc(NC(=O)/C=C/C[NH+](C)C)cc1Nc1ncc([S@@](C)=O)c(-c2cnn3ccccc23)n1 ZINC000096937806 562804362 /nfs/dbraw/zinc/80/43/62/562804362.db2.gz WALUXXPDOYDGOU-URRZWZKOSA-N 1 0 505.604 3.337 1 0 KGAFRO CCCC[C@H](NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2SC(=O)N(Cc3ccccc3)C2=O)cc1)C(N)=O ZINC000096938340 562804463 /nfs/dbraw/zinc/80/44/63/562804463.db2.gz CAEZCYVQALFDTE-KWGJCFFGSA-N 1 0 720.897 3.120 1 0 KGAFRO CN1CCN(c2nc(NCCCCOc3nc(Nc4ccccc4)nc(N4CCN(C)CC4)n3)nc(Nc3ccccc3)n2)CC1 ZINC000098065459 562805158 /nfs/dbraw/zinc/80/51/58/562805158.db2.gz ADCXFCDFZXRDCX-UHFFFAOYSA-N 1 0 625.786 3.319 1 0 KGAFRO CC[C@H]([NH2+]C)C(=O)N[C@H](C(=O)N1C[C@@H]2Cc3ccccc3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000098208139 562805969 /nfs/dbraw/zinc/80/59/69/562805969.db2.gz TYXHMZBEDPKUQY-HDFVOGAFSA-N 1 0 587.765 3.332 1 0 in-vitro KGAFRO CC(C)[NH+]1CCC(C(=O)Nc2c(OCCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc2OCc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000098208159 562805960 /nfs/dbraw/zinc/80/59/60/562805960.db2.gz OSTBNMJDSAVEFJ-JFJWUYLVSA-N 1 0 696.219 3.280 1 0 in-vitro KGAFRO CC[NH2+][C@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000100014254 562806078 /nfs/dbraw/zinc/80/60/78/562806078.db2.gz WQYLWNQAMGCVOP-KXPNLRIWSA-N 1 0 527.731 3.228 1 0 KGAFRO C[NH+](C)CCCN[C@H]1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O ZINC000100014359 562806111 /nfs/dbraw/zinc/80/61/11/562806111.db2.gz ZHPPDUIKQXCRCG-MUGPPGNLSA-N 1 0 584.827 3.160 1 0 KGAFRO COC(=O)C1(c2ccccc2)CC[NH+](CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000100844331 562808187 /nfs/dbraw/zinc/80/81/87/562808187.db2.gz KSCNWOYWUOCFLO-XMMPIXPASA-N 1 0 568.577 3.149 1 0 KGAFRO COc1ccccc1N1CC[NH+](CCCCN2C(=O)C[C@H](NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)CC1 ZINC000101047318 562808875 /nfs/dbraw/zinc/80/88/75/562808875.db2.gz QJZONTFPLHEGKF-KAQSQBPVSA-N 1 0 522.690 3.058 1 0 KGAFRO CNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CCN(Cc2ccc(F)c(F)c2)C[C@H]1C ZINC000101088906 562809098 /nfs/dbraw/zinc/80/90/98/562809098.db2.gz OGDRYVXEJHZFBB-CQSZACIVSA-N 1 0 518.948 3.111 1 0 KGAFRO CNc1c(=O)c(=O)c1Nc1cc(Br)ccc1OCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC000101090032 562809101 /nfs/dbraw/zinc/80/91/01/562809101.db2.gz NOFUPGBMLMZXFI-OAHLLOKOSA-N 1 0 545.409 3.081 1 0 KGAFRO CCNc1c(=O)c(=O)c1Nc1cc(Cl)ccc1OCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC000101091131 562809107 /nfs/dbraw/zinc/80/91/07/562809107.db2.gz LXFOWNJJENAEOQ-MRXNPFEDSA-N 1 0 514.985 3.362 1 0 KGAFRO CC(C)Oc1ccccc1N1CC[NH+]([C@H]2CC[C@@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 ZINC000101098138 562809158 /nfs/dbraw/zinc/80/91/58/562809158.db2.gz UHPXZGGJCMUMGZ-HZCBDIJESA-N 1 0 535.732 3.289 1 0 KGAFRO CC(C)Oc1ccccc1N1CC[NH+]([C@H]2CC[C@H](NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 ZINC000101098139 562809191 /nfs/dbraw/zinc/80/91/91/562809191.db2.gz UHPXZGGJCMUMGZ-SZPZYZBQSA-N 1 0 535.732 3.289 1 0 KGAFRO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCCc2ccccc2/C=C\CCNC1=O ZINC000101106885 562809212 /nfs/dbraw/zinc/80/92/12/562809212.db2.gz VYVBZYJZUNXCLJ-CHTLNIFZSA-N 1 0 548.728 3.485 1 0 KGAFRO Cn1cc(-c2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc(N)cc45)cc3N)cc2)c(N)nc1=N ZINC000101113912 562809265 /nfs/dbraw/zinc/80/92/65/562809265.db2.gz ZJNOIFBMPBFPIS-UHFFFAOYSA-O 1 0 506.594 3.287 1 0 KGAFRO C[C@@H]1C(=O)Nc2cccc(OC[C@@H](O)C[NH2+]C(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 ZINC000101152446 562809563 /nfs/dbraw/zinc/80/95/63/562809563.db2.gz WAMWYZOEWMINIF-PXNSSMCTSA-N 1 0 504.587 3.379 1 0 KGAFRO COCC[N@@H+]1CCc2ccc(Nc3ncc(Cl)c(N[C@H]4CC[C@H](NS(C)(=O)=O)CC4)n3)cc2CC1 ZINC000101423993 562810683 /nfs/dbraw/zinc/81/06/83/562810683.db2.gz LYLIFNOPVZHTGW-BGYRXZFFSA-N 1 0 523.103 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CO[C@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CN(c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000103263869 562821850 /nfs/dbraw/zinc/82/18/50/562821850.db2.gz DZXOOYSFVJTDQH-XIAWMOHYSA-N 1 0 551.635 3.120 1 0 KGAFRO Cc1ccc(C[NH+](CCO)CCO)cc1NC(=O)c1ccc(Nc2ncc(C)c(-c3cnn(C)c3)n2)cc1 ZINC000103264901 562822036 /nfs/dbraw/zinc/82/20/36/562822036.db2.gz FNSGMAUTYHAFEX-UHFFFAOYSA-N 1 0 515.618 3.276 1 0 KGAFRO CC[C@H]1CN(c2nc(N)c(-c3nnc(C4CC4)o3)nc2Cl)CC[N@@H+]1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000103266174 562822216 /nfs/dbraw/zinc/82/22/16/562822216.db2.gz NIXRVIKDVDAZGO-HNNXBMFYSA-N 1 0 587.516 3.476 1 0 KGAFRO CCNc1nnc(-c2nc(Cl)c(N3CC[N@@H+](C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)nc2N)o1 ZINC000103266194 562822178 /nfs/dbraw/zinc/82/21/78/562822178.db2.gz PBJHFMFNDCDXRJ-AWEZNQCLSA-N 1 0 590.520 3.030 1 0 KGAFRO CCNc1nnc(-c2cnc(N3CC[N@@H+](C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(Cl)n2)o1 ZINC000103266199 562822207 /nfs/dbraw/zinc/82/22/07/562822207.db2.gz NSSVIPMUXWWNIH-HNNXBMFYSA-N 1 0 575.505 3.448 1 0 KGAFRO CCNc1nnc(-c2cnc(N3CC[N@@H+](C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(C)n2)o1 ZINC000103266202 562822229 /nfs/dbraw/zinc/82/22/29/562822229.db2.gz TYZQHQRIQUPYRU-KRWDZBQOSA-N 1 0 555.087 3.103 1 0 KGAFRO CCNc1nnc(-c2cnc(N3CC[N@@H+](C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)[C@@H](CC)C3)c(CC)n2)o1 ZINC000103266209 562822295 /nfs/dbraw/zinc/82/22/95/562822295.db2.gz GMHZLTVEAIGJJD-KRWDZBQOSA-N 1 0 569.114 3.357 1 0 KGAFRO CCNc1nnc(-c2cnc(N3C[C@H](CC)[N@@H+](C4CCN(C(=O)c5ccc(Cl)nc5N)CC4)C[C@H]3C)c(C)n2)o1 ZINC000103266223 562822260 /nfs/dbraw/zinc/82/22/60/562822260.db2.gz RJGSIDJRNNLVKT-AEFFLSMTSA-N 1 0 569.114 3.491 1 0 KGAFRO CC[C@H]1CN(c2ncc(-c3ncc[nH]3)nc2C)[C@H](C)C[N@@H+]1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1 ZINC000103266230 562822253 /nfs/dbraw/zinc/82/22/53/562822253.db2.gz JROWVCANYSYIFH-AEFFLSMTSA-N 1 0 524.073 3.400 1 0 KGAFRO C/C=C(\C)[C@H](CC[NH+]1CCC2(C[S@@](=O)c3ccccc32)CC1)CN(C)S(=O)(=O)c1cn(C)cn1 ZINC000103274849 562823161 /nfs/dbraw/zinc/82/31/61/562823161.db2.gz PUBVOKHPVKINPE-XITHTVQLSA-N 1 0 504.722 3.168 1 0 KGAFRO C/C=C(\C)[C@H](CC[NH+]1CCC2(C[S@](=O)c3ccccc32)CC1)CN(C)S(=O)(=O)c1cn(C)cn1 ZINC000103274852 562823147 /nfs/dbraw/zinc/82/31/47/562823147.db2.gz PUBVOKHPVKINPE-BOUYHRLSSA-N 1 0 504.722 3.168 1 0 KGAFRO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCC[C@@H]3C(C)=[NH+]CCN=C3c3ccccc3)CC2)cc1 ZINC000103283983 562823721 /nfs/dbraw/zinc/82/37/21/562823721.db2.gz MROOXTVBGLDOSP-AREMUKBSSA-N 1 0 509.676 3.312 1 0 KGAFRO CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCC[C@H]3C(C)=[NH+]CCN=C3c3ccccc3)CC2)cc1 ZINC000103283986 562823719 /nfs/dbraw/zinc/82/37/19/562823719.db2.gz MROOXTVBGLDOSP-SANMLTNESA-N 1 0 509.676 3.312 1 0 KGAFRO C=CC(=O)N1CC[C@H](N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3CN(C3CCCC3)C2=O)C1 ZINC000103287256 562823865 /nfs/dbraw/zinc/82/38/65/562823865.db2.gz OREFCTWERPKHHA-DEOSSOPVSA-N 1 0 560.703 3.452 1 0 KGAFRO C=CC(=O)NCCN1c2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncc2CN(Cc2ccccc2)C1=O ZINC000103287266 562823847 /nfs/dbraw/zinc/82/38/47/562823847.db2.gz VXCBUMCIOKCXNK-UHFFFAOYSA-N 1 0 556.671 3.225 1 0 KGAFRO C[C@H](Cc1c[nH]c2c1cccc2OS(C)(=O)=O)[NH2+]C[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 ZINC000103291903 562824250 /nfs/dbraw/zinc/82/42/50/562824250.db2.gz DJQIFFIREHYQCT-OSPHWJPCSA-N 1 0 558.682 3.144 1 0 KGAFRO COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c(-c2ccc(-c3ccccc3)cc2)n1)NC(=O)OC(C)(C)C ZINC000103297989 562824748 /nfs/dbraw/zinc/82/47/48/562824748.db2.gz URJKETWQDCHULI-ZEQRLZLVSA-N 1 0 577.686 3.101 1 0 KGAFRO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c(-c2ccccc2)n1)C(=O)NCc1ccccc1 ZINC000103298025 562824701 /nfs/dbraw/zinc/82/47/01/562824701.db2.gz MFYDPXWMCRUSMA-BDYUSTAISA-N 1 0 506.610 3.472 1 0 KGAFRO COc1ccc(-c2nc(C[C@H](NC(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)C(=O)NCc3ccccc3)c[nH]2)cc1 ZINC000103298030 562824758 /nfs/dbraw/zinc/82/47/58/562824758.db2.gz JQNJDCQOPFSUCH-XCZPVHLTSA-N 1 0 536.636 3.480 1 0 KGAFRO COCCOCCOCCOCCOc1c(OC)ccc2cc3[n+](cc21)CCc1cc2c(cc1-3)OCO2 ZINC000103298088 562824718 /nfs/dbraw/zinc/82/47/18/562824718.db2.gz ROLBDRNTUGDBGE-UHFFFAOYSA-N 1 0 512.579 3.163 1 0 KGAFRO CC[N@H+](Cc1ccccc1)Cc1ccc(S(=O)(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1 ZINC000103301266 562825003 /nfs/dbraw/zinc/82/50/03/562825003.db2.gz LGGMLBDNZBDWKA-UHFFFAOYSA-N 1 0 515.657 3.038 1 0 KGAFRO C[NH+](C)CCN(Cc1ccccc1)c1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1 ZINC000103301307 562825007 /nfs/dbraw/zinc/82/50/07/562825007.db2.gz NAVWSAUHKXMEIN-UHFFFAOYSA-N 1 0 508.644 3.036 1 0 KGAFRO C[NH+](C)CCCN(Cc1ccccc1)c1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1 ZINC000103301310 562825014 /nfs/dbraw/zinc/82/50/14/562825014.db2.gz FVCPUAXEBBCTHS-UHFFFAOYSA-N 1 0 522.671 3.426 1 0 KGAFRO C[NH+](C)CCN(Cc1ccccc1)c1cccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)c1 ZINC000103301335 562825011 /nfs/dbraw/zinc/82/50/11/562825011.db2.gz DESCOFFVBCGGDE-UHFFFAOYSA-N 1 0 508.644 3.036 1 0 KGAFRO C[NH+](C)CCCN(Cc1ccccc1)c1cccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)c1 ZINC000103301337 562824979 /nfs/dbraw/zinc/82/49/79/562824979.db2.gz CYZISMAWRZSUFB-UHFFFAOYSA-N 1 0 522.671 3.426 1 0 KGAFRO CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(CO[C@@H]4CCC[C@@H]5C=CC=C[C@H]54)C[C@]32[C@H](C)CC1 ZINC000103524453 291783527 /nfs/dbraw/zinc/78/35/27/291783527.db2.gz KCVNPXUKILEGRD-ADIAJKBOSA-N 1 0 580.770 3.034 1 0 biogenic,in-vitro KGAFRO CNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@]4(O)C[C@]32[C@@H](CC1)CCC1(CCCC1)CC4=O ZINC000103524574 560051251 /nfs/dbraw/zinc/05/12/51/560051251.db2.gz SRFOZPPGTCWTNC-WQBYTFEUSA-N 1 0 510.679 3.038 1 0 biogenic,in-vitro KGAFRO CNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(COC4CCCCC4)C[C@]32[C@H](C)CC1 ZINC000103524643 560051239 /nfs/dbraw/zinc/05/12/39/560051239.db2.gz JPNKXCQWPXBAPH-XHNMAHFRSA-N 1 0 500.684 3.093 1 0 biogenic,in-vitro KGAFRO CNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(COC4(C)CCCC4)C[C@]32[C@H](C)CC1 ZINC000103524687 560051280 /nfs/dbraw/zinc/05/12/80/560051280.db2.gz AEYJWORWYUMNJF-XHNMAHFRSA-N 1 0 500.684 3.093 1 0 biogenic,in-vitro KGAFRO CCOC[C@]1(O)C[C@@]23C(=C1C(=O)[O-])C[C@@H]([C@@H](Cc1ccccc1)C[C@H]2C)[C@@]31CN(C(=[NH2+])NC)C=C[C@@H]1C[NH2+]C ZINC000103524716 560051252 /nfs/dbraw/zinc/05/12/52/560051252.db2.gz ZCLYZVBOVHZNKP-QDYMIFIDSA-N 1 0 536.717 3.249 1 0 biogenic,in-vitro KGAFRO CCOC[C@@]1(O)C[C@@]23C(=C1C(=O)[O-])C[C@@H](CC[C@H]2C)[C@@]31CN(C(=[NH2+])NC2CCCCC2)C=C[C@H]1C[NH2+]C ZINC000103524736 560051233 /nfs/dbraw/zinc/05/12/33/560051233.db2.gz MAZCBFJCYYJMOK-YXXHEMGOSA-N 1 0 514.711 3.483 1 0 biogenic,in-vitro KGAFRO CCCC[C@H](O)CCC[C@H](CC[C@@H](NC1=[NH+]CC=C1)C(=CC(=O)[O-])[C@H]1CC[NH+]=C(N)N1)Cc1ccc(=O)[nH]c1 ZINC000103563363 291780563 /nfs/dbraw/zinc/78/05/63/291780563.db2.gz DMHVKBWGYGTQRX-RECNXBPJSA-N 1 0 538.693 3.103 1 0 biogenic,in-vitro KGAFRO C[NH+](C)CC(C)(C)c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1 ZINC000112939117 562825472 /nfs/dbraw/zinc/82/54/72/562825472.db2.gz RCDKXUXYPKPWOL-UHFFFAOYSA-N 1 0 508.644 3.138 1 0 KGAFRO O=C(c1nn(-c2ccc(C[NH+]3CCCCC3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112939963 562825528 /nfs/dbraw/zinc/82/55/28/562825528.db2.gz YTYDCEPEGBYJIP-UHFFFAOYSA-N 1 0 506.628 3.285 1 0 KGAFRO O=C(c1nn(-c2ccc(C[NH+]3CCC(F)CC3)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940402 562825589 /nfs/dbraw/zinc/82/55/89/562825589.db2.gz QGXNCNPNSMLJHD-UHFFFAOYSA-N 1 0 524.618 3.233 1 0 KGAFRO CC(C)(C)CC[N@@H+]1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1 ZINC000112940598 562825546 /nfs/dbraw/zinc/82/55/46/562825546.db2.gz UNFMZIRHCUDZDZ-IBGZPJMESA-N 1 0 500.665 3.383 1 0 KGAFRO CC(C)(C)CC[N@@H+]1CCC[C@@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1 ZINC000112940601 562825556 /nfs/dbraw/zinc/82/55/56/562825556.db2.gz UNFMZIRHCUDZDZ-LJQANCHMSA-N 1 0 500.665 3.383 1 0 KGAFRO O=C(c1nn([C@@H]2CCC[N@H+](CCc3ccccc3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940910 562825722 /nfs/dbraw/zinc/82/57/22/562825722.db2.gz PRANHWURGNZBDG-JOCHJYFZSA-N 1 0 520.655 3.189 1 0 KGAFRO O=C(c1nn([C@H]2CCC[N@H+](CCc3ccccc3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112940913 562825697 /nfs/dbraw/zinc/82/56/97/562825697.db2.gz PRANHWURGNZBDG-QFIPXVFZSA-N 1 0 520.655 3.189 1 0 KGAFRO O=C(c1nn([C@@H]2CCC[N@H+](CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1c(Cl)cccc1-2)N1CCOCC1 ZINC000112941513 562825785 /nfs/dbraw/zinc/82/57/85/562825785.db2.gz AVYIJPUHWYOVRO-HXUWFJFHSA-N 1 0 563.120 3.417 1 0 KGAFRO O=C(c1nn([C@H]2CCC[N@H+](CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1c(Cl)cccc1-2)N1CCOCC1 ZINC000112941516 562825756 /nfs/dbraw/zinc/82/57/56/562825756.db2.gz AVYIJPUHWYOVRO-FQEVSTJZSA-N 1 0 563.120 3.417 1 0 KGAFRO O=C(c1nn(-c2cccc(C[NH+]3CCCCC3)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 ZINC000112942314 562825939 /nfs/dbraw/zinc/82/59/39/562825939.db2.gz YYDHSDLMQPQAPK-UHFFFAOYSA-N 1 0 506.628 3.285 1 0 KGAFRO Cn1c(=O)cc(-c2ccncc2F)nc1N1CC[NH2+][C@@H](c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)C1 ZINC000113089849 562826160 /nfs/dbraw/zinc/82/61/60/562826160.db2.gz CWUQQZJNOWLZJZ-RUZDIDTESA-N 1 0 519.602 3.203 1 0 KGAFRO Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(N3CC[C@@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000113091190 562826205 /nfs/dbraw/zinc/82/62/05/562826205.db2.gz WMHYIINKBDWNRA-ATIYNZHBSA-N 1 0 504.610 3.234 1 0 KGAFRO Cn1c(=O)cc(-c2ccncc2F)nc1N1CCO[C@@H](c2ccc(N3CC[C@H]([NH+]4CCCC4)C3)cc2)C1 ZINC000113091322 562826237 /nfs/dbraw/zinc/82/62/37/562826237.db2.gz WMHYIINKBDWNRA-BKMJKUGQSA-N 1 0 504.610 3.234 1 0 KGAFRO CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC([NH+]4CCN(C)CC4)CC3)cc2)nc1NC1CCOCC1 ZINC000113477641 562826528 /nfs/dbraw/zinc/82/65/28/562826528.db2.gz JGCBLHLFAFWUNH-UHFFFAOYSA-N 1 0 536.725 3.250 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC[NH+](CC(C)(C)O)CC4)cn3)nc2n1C1CCCC1 ZINC000113526052 562826585 /nfs/dbraw/zinc/82/65/85/562826585.db2.gz MELBWWJCOAUKFK-UHFFFAOYSA-N 1 0 506.655 3.280 1 0 KGAFRO Cc1noc(C)c1CC(=O)Nc1n[nH]c2c1CN(C(=O)N1C[C@@H](C)[N@@H+](CC3CCOCC3)C[C@@H]1C)C2(C)C ZINC000114180326 562827749 /nfs/dbraw/zinc/82/77/49/562827749.db2.gz MUALRCZUJQNJGX-SJORKVTESA-N 1 0 527.670 3.188 1 0 KGAFRO CCc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)no1 ZINC000114181422 562827752 /nfs/dbraw/zinc/82/77/52/562827752.db2.gz JHPYABVAUDUEST-SJORKVTESA-N 1 0 513.643 3.204 1 0 KGAFRO Cc1nc(C)c(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)o1 ZINC000114181778 562827903 /nfs/dbraw/zinc/82/79/03/562827903.db2.gz YMLLYQFXVFHVSN-CVEARBPZSA-N 1 0 513.643 3.259 1 0 KGAFRO C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4cc(C5CC5)[nH]n4)n[nH]c3C2(C)C)[C@@H](C)C[N@@H+]1CC1CCOCC1 ZINC000114182038 562827884 /nfs/dbraw/zinc/82/78/84/562827884.db2.gz SHCJALQXTGLGKY-SJORKVTESA-N 1 0 524.670 3.254 1 0 KGAFRO CCc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)on1 ZINC000114182433 562827831 /nfs/dbraw/zinc/82/78/31/562827831.db2.gz SRNCFCHUPFTHJL-SJORKVTESA-N 1 0 513.643 3.204 1 0 KGAFRO C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccc(Cl)cn4)n[nH]c3C2(C)C)[C@@H](C)C[N@H+]1C1CCOCC1 ZINC000114182482 562827855 /nfs/dbraw/zinc/82/78/55/562827855.db2.gz OJSMHIUSRXNYIB-CVEARBPZSA-N 1 0 516.046 3.455 1 0 KGAFRO CCc1nc(C)c(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@H+](CCCOC)C[C@@H]2C)C3(C)C)o1 ZINC000114182493 562827874 /nfs/dbraw/zinc/82/78/74/562827874.db2.gz BVCWXTJEBADDSC-CVEARBPZSA-N 1 0 501.632 3.123 1 0 KGAFRO Cc1nc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)c(C)o1 ZINC000114183149 562827888 /nfs/dbraw/zinc/82/78/88/562827888.db2.gz YBFYCQMSCCFCMG-CVEARBPZSA-N 1 0 513.643 3.259 1 0 KGAFRO CCc1ocnc1C(=O)Nc1n[nH]c2c1CN(C(=O)N1C[C@@H](C)[N@H+](CC3CCOCC3)C[C@@H]1C)C2(C)C ZINC000114183151 562827878 /nfs/dbraw/zinc/82/78/78/562827878.db2.gz KAVLXYHMKWVPSW-SJORKVTESA-N 1 0 513.643 3.204 1 0 KGAFRO CCC[N@@H+]1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)c4ccc(F)cc4F)n[nH]c3C2(C)C)C[C@H]1CCO ZINC000114183256 562827840 /nfs/dbraw/zinc/82/78/40/562827840.db2.gz AYUWDHABSXRRLL-DOTOQJQBSA-N 1 0 504.582 3.278 1 0 KGAFRO CCc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)[N@@H+](C4CCOCC4)C[C@@H]2C)C3(C)C)nc1 ZINC000114184013 562827834 /nfs/dbraw/zinc/82/78/34/562827834.db2.gz HPOIOIFHLLQIEX-MSOLQXFVSA-N 1 0 509.655 3.364 1 0 KGAFRO CCn1nc(C)cc1C(=O)Nc1n[nH]c2c1CN(C(=O)N1C[C@@H](C)[N@H+](CC3CCOCC3)C[C@@H]1C)C2(C)C ZINC000114184062 562827843 /nfs/dbraw/zinc/82/78/43/562827843.db2.gz VCKDCMUNCYXJBO-MOPGFXCFSA-N 1 0 526.686 3.179 1 0 KGAFRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccc(Br)cn3)n[nH]c2C1(C)C ZINC000114200291 562827952 /nfs/dbraw/zinc/82/79/52/562827952.db2.gz WMBMADXXHMYQOJ-ZFWWWQNUSA-N 1 0 502.417 3.159 1 0 KGAFRO C[C@@H]1CN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)C[N@@H+]1CCC1CCOCC1 ZINC000114216342 562827916 /nfs/dbraw/zinc/82/79/16/562827916.db2.gz OEFCBJHDGIIIQC-MOPGFXCFSA-N 1 0 509.655 3.439 1 0 KGAFRO NC(=O)c1cccc2c(N[C@@H](CCN3CC[NH2+]CC3)c3cccc(NC(=O)c4cc(C5CC5)[nH]n4)c3)ncnc12 ZINC000114342967 562827963 /nfs/dbraw/zinc/82/79/63/562827963.db2.gz KWGUGEXJHZQQOC-QHCPKHFHSA-N 1 0 539.644 3.030 1 0 KGAFRO NC(=O)c1cccc2c(N[C@H](CCN3CC[NH2+]CC3)c3cccc(NC(=O)c4cc(C5CC5)[nH]n4)c3)ncnc12 ZINC000114342970 562827964 /nfs/dbraw/zinc/82/79/64/562827964.db2.gz KWGUGEXJHZQQOC-HSZRJFAPSA-N 1 0 539.644 3.030 1 0 KGAFRO C[NH+]1CCN(CC[C@@H](Nc2ncnc3c(C(N)=O)cccc23)c2cccc(NC(=O)c3cc(C4CC4)[nH]n3)c2)CC1 ZINC000114344326 562827997 /nfs/dbraw/zinc/82/79/97/562827997.db2.gz UIDDBMQHEJVZNK-XMMPIXPASA-N 1 0 553.671 3.372 1 0 KGAFRO C[NH+]1CCN(CC[C@H](Nc2ncnc3c(C(N)=O)cccc23)c2cccc(NC(=O)c3cc(C4CC4)[nH]n3)c2)CC1 ZINC000114344327 562827973 /nfs/dbraw/zinc/82/79/73/562827973.db2.gz UIDDBMQHEJVZNK-DEOSSOPVSA-N 1 0 553.671 3.372 1 0 KGAFRO C[NH+]1CCN(CCCOc2cc(C(N)=O)c3ncnc(NCc4ccc(C(F)(F)F)cc4)c3c2)CC1 ZINC000114346435 562828019 /nfs/dbraw/zinc/82/80/19/562828019.db2.gz HMUXYNLHZILXOH-UHFFFAOYSA-N 1 0 502.541 3.376 1 0 KGAFRO C[NH+]1CCN(Cc2ccc(C(=O)Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)cc2)CC1 ZINC000114347931 562828064 /nfs/dbraw/zinc/82/80/64/562828064.db2.gz XGLWHPMFXKSELJ-UHFFFAOYSA-N 1 0 509.614 3.341 1 0 KGAFRO CCC[C@H](O)[C@H](C[NH2+]CC(C)(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C ZINC000114397747 562828220 /nfs/dbraw/zinc/82/82/20/562828220.db2.gz BYVKUTDQYZLLAZ-PMACEKPBSA-N 1 0 531.620 3.247 1 0 KGAFRO CC(=O)N1CC(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)C1 ZINC000114978710 562828556 /nfs/dbraw/zinc/82/85/56/562828556.db2.gz NPBHNODLATYLSX-VWLOTQADSA-N 1 0 518.079 3.178 1 0 KGAFRO CC(=O)N1CC(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)C1 ZINC000114978711 562828577 /nfs/dbraw/zinc/82/85/77/562828577.db2.gz NPBHNODLATYLSX-RUZDIDTESA-N 1 0 518.079 3.178 1 0 KGAFRO CCNC(=O)NCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114978881 562828581 /nfs/dbraw/zinc/82/85/81/562828581.db2.gz QLFAJOGCCYGPSO-DEOSSOPVSA-N 1 0 535.110 3.266 1 0 KGAFRO CCNC(=O)NCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)[NH2+]CC2 ZINC000114978883 562828561 /nfs/dbraw/zinc/82/85/61/562828561.db2.gz QLFAJOGCCYGPSO-XMMPIXPASA-N 1 0 535.110 3.266 1 0 KGAFRO Nc1ncc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1 ZINC000114979399 562828555 /nfs/dbraw/zinc/82/85/55/562828555.db2.gz WBZUSSRCVZEXPT-QHCPKHFHSA-N 1 0 514.051 3.378 1 0 KGAFRO Nc1ncc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1 ZINC000114979401 562828557 /nfs/dbraw/zinc/82/85/57/562828557.db2.gz WBZUSSRCVZEXPT-HSZRJFAPSA-N 1 0 514.051 3.378 1 0 KGAFRO CCc1cc(-c2noc(-c3ccc(C[NH+](CC)CC)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000115394955 562828872 /nfs/dbraw/zinc/82/88/72/562828872.db2.gz TUJQHFUOUKEZIG-DEOSSOPVSA-N 1 0 510.635 3.273 1 0 KGAFRO CCC[N@H+](C)Cc1cc(C)cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)c1 ZINC000115395764 562828912 /nfs/dbraw/zinc/82/89/12/562828912.db2.gz ILYBJPXUBAXQSY-DEOSSOPVSA-N 1 0 510.635 3.273 1 0 KGAFRO CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C[N@@H+](C)CC ZINC000115397600 562828895 /nfs/dbraw/zinc/82/88/95/562828895.db2.gz LGIXQTBLMJJEIM-DEOSSOPVSA-N 1 0 510.635 3.137 1 0 KGAFRO CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C[NH+]1CCCC1 ZINC000115398191 562828893 /nfs/dbraw/zinc/82/88/93/562828893.db2.gz YJNIVCYKVMVIOT-VWLOTQADSA-N 1 0 522.646 3.281 1 0 KGAFRO COCCOc1cc2cc(C(=O)NC3CC[NH+](C(C)C)CC3)n(CC(=O)Nc3ccc(Cl)cn3)c2cn1 ZINC000116024106 562829167 /nfs/dbraw/zinc/82/91/67/562829167.db2.gz YREBJGUGKMXPGE-UHFFFAOYSA-N 1 0 529.041 3.351 1 0 KGAFRO Cc1c(-c2cc(Nc3cc4n(n3)CC[N@@H+](C)C4)c(=O)[nH]n2)cccc1N1CCn2c(cc3c2CCCC3)C1=O ZINC000116054113 562829224 /nfs/dbraw/zinc/82/92/24/562829224.db2.gz BHOPUNOQKWECPN-UHFFFAOYSA-N 1 0 524.629 3.472 1 0 KGAFRO Cn1nc(-c2cccc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)cc(Nc2ccc(N3CC[NH+](C)CC3)cn2)c1=O ZINC000116054254 562829214 /nfs/dbraw/zinc/82/92/14/562829214.db2.gz UKANVQAKOKRFRI-UHFFFAOYSA-N 1 0 594.720 3.171 1 0 KGAFRO Cn1cc(-c2cccc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)cc(Nc2ccc(N3CC[NH2+]CC3)cn2)c1=O ZINC000116055431 562829208 /nfs/dbraw/zinc/82/92/08/562829208.db2.gz ONJPKQLOZFKBFJ-UHFFFAOYSA-N 1 0 579.705 3.434 1 0 KGAFRO CC(C)[C@H]1CN(CCN2CC[C@@H](F)C2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116186403 562829246 /nfs/dbraw/zinc/82/92/46/562829246.db2.gz JVDHMSDDQNCCGD-IFMALSPDSA-N 1 0 503.586 3.492 1 0 KGAFRO O=C1OC[C@@H](c2ccccc2N2CC[NH2+]CC2)N1c1ccn2ncc(-c3ccc(-c4nnc[nH]4)c(F)c3)c2n1 ZINC000116189926 562829305 /nfs/dbraw/zinc/82/93/05/562829305.db2.gz RAHIXUIEMWVASX-QHCPKHFHSA-N 1 0 525.548 3.428 1 0 KGAFRO O=C1OC[C@H](c2ccccc2N2CC[NH2+]CC2)N1c1ccn2ncc(-c3ccc(-c4nnc[nH]4)c(F)c3)c2n1 ZINC000116189929 562829284 /nfs/dbraw/zinc/82/92/84/562829284.db2.gz RAHIXUIEMWVASX-HSZRJFAPSA-N 1 0 525.548 3.428 1 0 KGAFRO Cc1cc(C[NH+]2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N4CCOCC4)ccn3)CC2)ccc1Cl ZINC000116815094 562829536 /nfs/dbraw/zinc/82/95/36/562829536.db2.gz DLCRLFAACGTYEO-XMMPIXPASA-N 1 0 540.064 3.110 1 0 KGAFRO Cc1cc(C(=O)N2CCOCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)n1 ZINC000116820941 562829576 /nfs/dbraw/zinc/82/95/76/562829576.db2.gz BLZYACUWHWYCOK-RUZDIDTESA-N 1 0 554.091 3.418 1 0 KGAFRO COCC[NH2+]CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1 ZINC000117113360 562829661 /nfs/dbraw/zinc/82/96/61/562829661.db2.gz JVGTZRLSBMROMC-UHFFFAOYSA-N 1 0 511.025 3.311 1 0 KGAFRO [NH3+]C[C@@H](O)CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000117190235 562829667 /nfs/dbraw/zinc/82/96/67/562829667.db2.gz NIPFKWWYWSLEKB-GSVOUGTGSA-N 1 0 521.833 3.344 1 0 KGAFRO [NH3+]C[C@H](O)CNc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000117190238 562829707 /nfs/dbraw/zinc/82/97/07/562829707.db2.gz NIPFKWWYWSLEKB-VKHMYHEASA-N 1 0 521.833 3.344 1 0 KGAFRO CCCS(=O)(=O)N1CCN(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)CC1 ZINC000117354645 562829759 /nfs/dbraw/zinc/82/97/59/562829759.db2.gz VXWNNKSIVAUJQF-MHZLTWQESA-N 1 0 611.230 3.219 1 0 KGAFRO CCCS(=O)(=O)N1CCN(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)CC1 ZINC000117354649 562829797 /nfs/dbraw/zinc/82/97/97/562829797.db2.gz VXWNNKSIVAUJQF-HHHXNRCGSA-N 1 0 611.230 3.219 1 0 KGAFRO COc1c(NC(=O)C(=O)c2ccc(OCC[NH+](CCO)CCO)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000117483979 562829764 /nfs/dbraw/zinc/82/97/64/562829764.db2.gz QBISNYGDFHPMOY-UHFFFAOYSA-N 1 0 601.722 3.004 1 0 KGAFRO C[NH+](C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCS(=O)(=O)CC5)c4n3)nc2)CC1 ZINC000117696316 562829824 /nfs/dbraw/zinc/82/98/24/562829824.db2.gz NBXIWLVMKUNTTP-UHFFFAOYSA-N 1 0 520.663 3.398 1 0 KGAFRO COCC[NH+]1CCN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1 ZINC000117722230 562829851 /nfs/dbraw/zinc/82/98/51/562829851.db2.gz MQHUVYVUSWCTSR-UHFFFAOYSA-N 1 0 506.655 3.151 1 0 KGAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N5CC[NH2+]CC5)ccn43)c12 ZINC000117880779 562829881 /nfs/dbraw/zinc/82/98/81/562829881.db2.gz JCAJXAXPRGMXPH-UHFFFAOYSA-N 1 0 522.613 3.296 1 0 KGAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@H]5C[N@H+](C)C[C@@H]5O)ccn43)c12 ZINC000117881724 562829923 /nfs/dbraw/zinc/82/99/23/562829923.db2.gz PVTRPMXZWIROIC-UIOOFZCWSA-N 1 0 525.613 3.304 1 0 KGAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N[C@@H]5CC[NH2+]C5)ccn43)c12 ZINC000117882498 562829928 /nfs/dbraw/zinc/82/99/28/562829928.db2.gz SKNVXLIQXHNREQ-HXUWFJFHSA-N 1 0 522.613 3.342 1 0 KGAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N[C@H]5CC[NH2+]C5)ccn43)c12 ZINC000117882501 562829926 /nfs/dbraw/zinc/82/99/26/562829926.db2.gz SKNVXLIQXHNREQ-FQEVSTJZSA-N 1 0 522.613 3.342 1 0 KGAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(O[C@@H]5C[N@H+](C)C[C@H]5O)ccn43)c12 ZINC000117889882 562829956 /nfs/dbraw/zinc/82/99/56/562829956.db2.gz PVTRPMXZWIROIC-CLJLJLNGSA-N 1 0 525.613 3.304 1 0 KGAFRO CCc1nn(Cc2cccc(OC[C@H]3[NH2+]CC[C@@H]3O)n2)c2cccc(NC(=O)c3cnc4ccccn43)c12 ZINC000117890883 562830049 /nfs/dbraw/zinc/83/00/49/562830049.db2.gz IWOVKSXLDXEFJZ-QPPBQGQZSA-N 1 0 511.586 3.044 1 0 KGAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CC[NH+](CCO)CC5)ccn43)c12 ZINC000117892649 562830061 /nfs/dbraw/zinc/83/00/61/562830061.db2.gz JFZVFMNLQNNQOS-UHFFFAOYSA-N 1 0 538.656 3.365 1 0 KGAFRO CCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[NH+](C)CC5)ccn43)c12 ZINC000117895956 562830022 /nfs/dbraw/zinc/83/00/22/562830022.db2.gz XWKGLGFBQRWHIP-UHFFFAOYSA-N 1 0 555.687 3.215 1 0 KGAFRO CCc1nn(Cc2cccc(OC[C@@H]3[C@@H](O)CC[N@@H+]3C)n2)c2cccc(NC(=O)c3cnc4ccccn43)c12 ZINC000117896038 562830055 /nfs/dbraw/zinc/83/00/55/562830055.db2.gz VRDNGVPKSWEAFY-RPBOFIJWSA-N 1 0 525.613 3.386 1 0 KGAFRO CCc1cc(-c2noc(-c3cc(C)c(C[NH2+]CC(C)C)s3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000117932290 562830096 /nfs/dbraw/zinc/83/00/96/562830096.db2.gz SPUDJSAJYSSDNC-FQEVSTJZSA-N 1 0 516.664 3.238 1 0 KGAFRO Cc1c(N2CCN(S(C)(=O)=O)CC2)[nH+]c2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118093833 562830148 /nfs/dbraw/zinc/83/01/48/562830148.db2.gz WBLBWLRPOIDZOL-UHFFFAOYSA-N 1 0 614.719 3.335 1 0 KGAFRO CC(C)(C)c1cn(C[C@@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]([NH3+])CO)s1 ZINC000118247366 562830205 /nfs/dbraw/zinc/83/02/05/562830205.db2.gz OBOWTKGVJJGOQQ-VSVSNYDVSA-N 1 0 501.571 3.484 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@]5(CCC[NH2+]C5)OC4=O)cn3)nc2n1C1CCCC1 ZINC000118580558 562830366 /nfs/dbraw/zinc/83/03/66/562830366.db2.gz GAAOQIXOPLWYKD-AREMUKBSSA-N 1 0 504.595 3.466 1 0 KGAFRO Cc1nc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)ccc1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000118582315 562830386 /nfs/dbraw/zinc/83/03/86/562830386.db2.gz SOBQJDMKGXGEQA-KDURUIRLSA-N 1 0 502.623 3.272 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)[NH2+]5)cn3)nc2n1[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000118582632 562830355 /nfs/dbraw/zinc/83/03/55/562830355.db2.gz BPNSZQIMYKUVMU-LJQVGOIWSA-N 1 0 514.634 3.209 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CCC[C@@H](C4)[NH2+]5)cn3)nc2n1C1CCCC1 ZINC000118584620 562830362 /nfs/dbraw/zinc/83/03/62/562830362.db2.gz IUMNOHMCVRQIFR-BGYRXZFFSA-N 1 0 502.623 3.353 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC[NH+]5CCC4CC5)cn3)nc2n1C1CCCC1 ZINC000118584900 562830356 /nfs/dbraw/zinc/83/03/56/562830356.db2.gz QLCJAUXNJZCIOB-UHFFFAOYSA-N 1 0 502.623 3.307 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)[NH2+]5)cn3)nc2n1C1CCCCC1 ZINC000118586540 562830365 /nfs/dbraw/zinc/83/03/65/562830365.db2.gz PGOVADJXEQVJAD-BGYRXZFFSA-N 1 0 502.623 3.353 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)[NH2+]5)cn3)nc2n1[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000118587025 562830418 /nfs/dbraw/zinc/83/04/18/562830418.db2.gz BPNSZQIMYKUVMU-LAJDLSKKSA-N 1 0 514.634 3.209 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC[C@@H]5CC[C@H](C4)[NH2+]5)cn3)nc2n1C1CCCC1 ZINC000118588029 562830394 /nfs/dbraw/zinc/83/03/94/562830394.db2.gz JMYHPWJJCGPKPL-VQTJNVASSA-N 1 0 502.623 3.353 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC[C@H]5CC[C@@H](C4)[NH2+]5)cn3)nc2n1C1CCCC1 ZINC000118588198 562830419 /nfs/dbraw/zinc/83/04/19/562830419.db2.gz JMYHPWJJCGPKPL-UXHICEINSA-N 1 0 502.623 3.353 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@]5(CCC[NH2+]C5)OC4=O)cn3)nc2n1C1CCCC1 ZINC000118589026 562830405 /nfs/dbraw/zinc/83/04/05/562830405.db2.gz GAAOQIXOPLWYKD-SANMLTNESA-N 1 0 504.595 3.466 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@@H]5C[NH2+]C[C@@H]5C4=O)cn3)nc2n1C1CCCCCC1 ZINC000118590781 562830403 /nfs/dbraw/zinc/83/04/03/562830403.db2.gz VLUJHZWOUOZYQQ-RXVVDRJESA-N 1 0 502.623 3.349 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC[N@@H+]5CCC[C@@H]5C4)cn3)nc2n1C1CCCC1 ZINC000118593420 562830438 /nfs/dbraw/zinc/83/04/38/562830438.db2.gz JCRUSEOGJUANIE-OAQYLSRUSA-N 1 0 502.623 3.307 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC[N@@H+]5CCC[C@H]5C4)cn3)nc2n1C1CCCC1 ZINC000118593422 562830451 /nfs/dbraw/zinc/83/04/51/562830451.db2.gz JCRUSEOGJUANIE-NRFANRHFSA-N 1 0 502.623 3.307 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5CC[C@@H](C4)[N@H+]5C)cn3)nc2n1C1CCCC1 ZINC000118594221 562830457 /nfs/dbraw/zinc/83/04/57/562830457.db2.gz RGGRAERHROXLKH-OYRHEFFESA-N 1 0 502.623 3.305 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(CC[NH2+]CC5)OC4=O)cn3)nc2n1C1CCCC1 ZINC000118599046 562830463 /nfs/dbraw/zinc/83/04/63/562830463.db2.gz HHXHYZMMRQQXRI-UHFFFAOYSA-N 1 0 504.595 3.466 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(CC4=O)C[C@H]4CC[C@@H](C5)[NH2+]4)cn3)nc2n1[C@@H]1CCCOC1 ZINC000118716662 562830514 /nfs/dbraw/zinc/83/05/14/562830514.db2.gz LHEWYMHUYHCYSK-XVXIXSLNSA-N 1 0 544.660 3.261 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5C[C@]5([NH+](C)C)C4)cn3)nc2n1C1CCCC1 ZINC000118727747 562830519 /nfs/dbraw/zinc/83/05/19/562830519.db2.gz SRXMHCDCBDEWCA-PPHZAIPVSA-N 1 0 502.623 3.163 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@H]5C[C@@]5([NH+](C)C)C4)cn3)nc2n1C1CCCC1 ZINC000118727752 562830512 /nfs/dbraw/zinc/83/05/12/562830512.db2.gz SRXMHCDCBDEWCA-XHCCPWGMSA-N 1 0 502.623 3.163 1 0 KGAFRO CCNC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCC[NH+](C)C)c(C)c21 ZINC000118819547 562830749 /nfs/dbraw/zinc/83/07/49/562830749.db2.gz YQTALMOCNCHGNY-OAHLLOKOSA-N 1 0 502.616 3.467 1 0 KGAFRO CCNC(=O)[C@H](C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCC[NH+](C)C)c(C)c21 ZINC000118819549 562830778 /nfs/dbraw/zinc/83/07/78/562830778.db2.gz YQTALMOCNCHGNY-HNNXBMFYSA-N 1 0 502.616 3.467 1 0 KGAFRO C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@H+]2C[C@H](C)CC[C@@H]12 ZINC000118936957 571845880 /nfs/dbraw/zinc/84/58/80/571845880.db2.gz IDGKMGZVTKHZDA-LWYYGSRESA-N 1 0 559.788 3.479 1 0 endogenous,in-man KGAFRO C[C@@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)[N@H+]2C[C@H](C)CC[C@@H]12 ZINC000118936958 571845891 /nfs/dbraw/zinc/84/58/91/571845891.db2.gz IDGKMGZVTKHZDA-DZHJMNSBSA-N 1 0 559.788 3.479 1 0 endogenous,in-man KGAFRO C[C@@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 ZINC000118936959 571845936 /nfs/dbraw/zinc/84/59/36/571845936.db2.gz IDGKMGZVTKHZDA-JQEZWTSQSA-N 1 0 559.788 3.479 1 0 endogenous,in-man KGAFRO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000118936960 571845900 /nfs/dbraw/zinc/84/59/00/571845900.db2.gz IDGKMGZVTKHZDA-YJTUDZSFSA-N 1 0 559.788 3.479 1 0 endogenous,in-man KGAFRO CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000137083803 562831316 /nfs/dbraw/zinc/83/13/16/562831316.db2.gz GMTPAJDXCPJPRB-SVBPBHIXSA-N 1 0 550.700 3.356 1 0 KGAFRO CC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000137083839 562831373 /nfs/dbraw/zinc/83/13/73/562831373.db2.gz GMTPAJDXCPJPRB-SXOMAYOGSA-N 1 0 550.700 3.356 1 0 KGAFRO CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)C(C)C ZINC000137084690 562831376 /nfs/dbraw/zinc/83/13/76/562831376.db2.gz YDVBUHNKHQLBCZ-JZFZMOLRSA-N 1 0 542.765 3.031 1 0 KGAFRO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccnc3ccccc31)N(C)[C@@H]2c1ccnc2ccccc21 ZINC000137362507 562831454 /nfs/dbraw/zinc/83/14/54/562831454.db2.gz UIHCXYXGFGNYNJ-FCCHYQJHSA-N 1 0 538.604 3.344 1 0 KGAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+](C)C)ncnc2Nc1ccc(Br)c(F)c1 ZINC000137823633 562831556 /nfs/dbraw/zinc/83/15/56/562831556.db2.gz RIGSMDFVBGSWIZ-UHFFFAOYSA-N 1 0 531.386 3.456 1 0 KGAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)N1CC[NH2+]CC1)ncnc2Nc1ccc(Br)cc1F ZINC000137839439 562831542 /nfs/dbraw/zinc/83/15/42/562831542.db2.gz AHAJHWAHRBXVFH-UHFFFAOYSA-N 1 0 558.412 3.393 1 0 KGAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@H](C)[NH3+])ncnc2Nc1ccc(Br)cc1F ZINC000137856900 562831609 /nfs/dbraw/zinc/83/16/09/562831609.db2.gz PPYSXGBNOGMWKR-LBPRGKRZSA-N 1 0 517.359 3.242 1 0 KGAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)[C@@H](C)[NH3+])ncnc2Nc1ccc(Br)cc1F ZINC000137857013 562831569 /nfs/dbraw/zinc/83/15/69/562831569.db2.gz PPYSXGBNOGMWKR-GFCCVEGCSA-N 1 0 517.359 3.242 1 0 KGAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH2+]C)ncnc2Nc1ccc(Br)cc1F ZINC000137920189 562831676 /nfs/dbraw/zinc/83/16/76/562831676.db2.gz OZCTZZBPWFFISD-UHFFFAOYSA-N 1 0 517.359 3.114 1 0 KGAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)CC[NH3+])ncnc2Nc1ccc(Br)cc1F ZINC000137926758 562831661 /nfs/dbraw/zinc/83/16/61/562831661.db2.gz HXCZCEAQVPKCAF-UHFFFAOYSA-N 1 0 517.359 3.243 1 0 KGAFRO COC[C@@H](Oc1cc(C[C@@H]2C[S@](=O)C[C@H](NCc3cc(CC(C)(C)C)on3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000138282999 562831814 /nfs/dbraw/zinc/83/18/14/562831814.db2.gz BNFJJDOJXXRZDV-NAOLWSJMSA-N 1 0 565.630 3.381 1 0 KGAFRO COC[C@@H](Oc1cc(C[C@@H]2C[S@](=O)C[C@H]([NH2+]Cc3cccc(C(C)(C)CO)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000138315746 562831816 /nfs/dbraw/zinc/83/18/16/562831816.db2.gz ZAUGVKYIEPVOOO-CGBBJANDSA-N 1 0 576.653 3.074 1 0 KGAFRO COC[C@@H](Oc1cc(C[C@@H]2C[S@](=O)C[C@H]([NH2+]Cc3cccc(C(C)(C)O)c3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000138324215 562831826 /nfs/dbraw/zinc/83/18/26/562831826.db2.gz OFDBSOZDYKJEFG-CAALGAHQSA-N 1 0 562.626 3.032 1 0 KGAFRO COC[C@@H](Oc1cc(C[C@@H]2C[S@](=O)C[C@H]([NH2+]Cc3cc(C(C)(C)C)ccn3)[C@H]2O)cc(F)c1N)C(F)(F)F ZINC000138339951 562831824 /nfs/dbraw/zinc/83/18/24/562831824.db2.gz PMIMNVFAGLMWQP-NNWAQCLVSA-N 1 0 561.642 3.497 1 0 KGAFRO COc1cccc(C[C@@H]2CC[C@H]([C@@H](O)CNC(=O)c3cc(C(=O)N[C@H](C)c4ccccc4)cc(N(C)S(C)(=O)=O)c3)[NH2+]2)c1 ZINC000138342264 562831845 /nfs/dbraw/zinc/83/18/45/562831845.db2.gz SVEAFVVOJHTSHZ-VYIBGDTDSA-N 1 0 608.761 3.036 1 0 KGAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(C(F)(F)F)c2)C1)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC000138384813 562831882 /nfs/dbraw/zinc/83/18/82/562831882.db2.gz CDBJMQGDUGLIIL-HXUWFJFHSA-N 1 0 554.573 3.477 1 0 KGAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3ncccn3)cc2)CC1 ZINC000138505716 562831988 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COc1ncc(-c2ccc(N3CCN(C(=O)C[N@@H+]4CC[C@@H](C(=O)Nc5ccc(O)c(Cl)c5)C4)CC3)cc2)cn1 ZINC000138577748 562832033 /nfs/dbraw/zinc/83/20/33/562832033.db2.gz AUGMYYRPPRWMQS-HXUWFJFHSA-N 1 0 551.047 3.120 1 0 KGAFRO COc1ccc(-c2ccc3c(n2)nc(N2CCC([NH+]4CCCC4)CC2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000138600147 562832028 /nfs/dbraw/zinc/83/20/28/562832028.db2.gz OHUOKGKXGLIUGI-FQEVSTJZSA-N 1 0 518.662 3.482 1 0 KGAFRO COc1ccc(-c2ccc3c(n2)nc(N2CCC[C@H](C[NH+](C)C)C2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000138666329 562832092 /nfs/dbraw/zinc/83/20/92/562832092.db2.gz IQQFBYZQRFBXSX-VQTJNVASSA-N 1 0 506.651 3.196 1 0 KGAFRO COC(=O)[C@@]12C[N@@H+](C)C[C@@](C(=O)OC)(C1=O)[C@H](c1ccc3ccccc3n1)N(C)[C@H]2c1ccc2ccccc2n1 ZINC000138752397 562832141 /nfs/dbraw/zinc/83/21/41/562832141.db2.gz UHYKARPTRKJNJF-QYRZKEDASA-N 1 0 538.604 3.344 1 0 KGAFRO CCOC(=O)[C@@H](C(=O)Nc1ccc2c(c1)O[C@@H](OCc1ccc(C(N)=[NH2+])cc1)C(=O)N2C)c1ccccc1 ZINC000139071987 562832325 /nfs/dbraw/zinc/83/23/25/562832325.db2.gz ICIKGKFLXMVVPA-QDPGVEIFSA-N 1 0 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IJAUZAZYLHIGKV-KJXAQDMKSA-N 1 0 509.628 3.196 1 0 KGAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(Br)cc2)CC1 ZINC000142449975 562834209 /nfs/dbraw/zinc/83/42/09/562834209.db2.gz KPKZCYYTVDFXPA-MRXNPFEDSA-N 1 0 521.843 3.417 1 0 KGAFRO Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1-c1ccccc1NS(C)(=O)=O ZINC000142868756 562834330 /nfs/dbraw/zinc/83/43/30/562834330.db2.gz RHMIKZRFWWOKJA-UHFFFAOYSA-N 1 0 581.724 3.489 1 0 KGAFRO C=CC(=O)Nc1cc2c(cc1OCCNC(=O)C[NH+](C)C)ncnc2Nc1cc(OC)c(Cl)cc1OC ZINC000142896552 562834418 /nfs/dbraw/zinc/83/44/18/562834418.db2.gz QCROOTBGMAHVGX-UHFFFAOYSA-N 1 0 528.997 3.225 1 0 KGAFRO COc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CC[NH+](Cc3ccc(Cl)c(C)c3)CC2)n1 ZINC000143326796 562834911 /nfs/dbraw/zinc/83/49/11/562834911.db2.gz RBMGDTKBYRBBOQ-JOCHJYFZSA-N 1 0 528.053 3.348 1 0 KGAFRO CC(=O)c1cn(CC(=O)N2C[C@H](F)[C@@H](OCC[NH+](C)C)[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12 ZINC000143897718 562835356 /nfs/dbraw/zinc/83/53/56/562835356.db2.gz IPYRUTDBQAJTDP-WDDWZANVSA-N 1 0 561.029 3.449 1 0 KGAFRO CC[NH+](CC)C[C@@H](O)CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5ccccn5)n4)ccc3[nH]2)CC1 ZINC000144203150 562835863 /nfs/dbraw/zinc/83/58/63/562835863.db2.gz URRNSMCWEGNLDO-HSZRJFAPSA-N 1 0 528.661 3.224 1 0 KGAFRO CC[NH+](CC)C[C@H](O)CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5ccccn5)n4)ccc3[nH]2)CC1 ZINC000144203443 562835864 /nfs/dbraw/zinc/83/58/64/562835864.db2.gz URRNSMCWEGNLDO-QHCPKHFHSA-N 1 0 528.661 3.224 1 0 KGAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NS(=O)(=O)CC2CCCCC2)C(C)C)ccc1OC ZINC000144215020 562835922 /nfs/dbraw/zinc/83/59/22/562835922.db2.gz ZOEHLOWNLSVVMD-BJKOFHAPSA-N 1 0 539.739 3.049 1 0 KGAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(C)C)ccc1OC ZINC000144274339 562836049 /nfs/dbraw/zinc/83/60/49/562836049.db2.gz WJVIXGMRBQLYFG-NZQKXSOJSA-N 1 0 603.660 3.426 1 0 KGAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2NC(=O)CCc2ccccc2)C(C)C)ccc1OC ZINC000144325864 562836147 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CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000145244550 562836940 /nfs/dbraw/zinc/83/69/40/562836940.db2.gz ZHTQECJQWOMFTI-DUIWIZSASA-N 1 0 554.009 3.367 1 0 KGAFRO CC[C@H]1[NH2+][C@@H](C(=O)NCCN2CCOCC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000145293254 562837012 /nfs/dbraw/zinc/83/70/12/562837012.db2.gz OKBIPZYWYPWAND-VUMQFKOGSA-N 1 0 535.447 3.305 1 0 KGAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cncc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000145626780 562837403 /nfs/dbraw/zinc/83/74/03/562837403.db2.gz DRIMAFXWWITGAX-GTJCPKOCSA-N 1 0 553.462 3.137 1 0 KGAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cc(Cl)ccn2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000145721692 562837550 /nfs/dbraw/zinc/83/75/50/562837550.db2.gz DDOZHOLPFKQAEQ-CRYDRMAXSA-N 1 0 553.462 3.137 1 0 KGAFRO CC(C)(CCO)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000145727248 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/nfs/dbraw/zinc/83/85/87/562838587.db2.gz CNIFHZLBDVIVMR-JOCHJYFZSA-N 1 0 519.719 3.132 1 0 KGAFRO CN1CC[C@H]([N@H+](C)CC2CCN(c3nc(N4CC(C(N)=O)C4)nc4scc(-c5ccccc5)c43)CC2)C1 ZINC000146469045 562838649 /nfs/dbraw/zinc/83/86/49/562838649.db2.gz CNIFHZLBDVIVMR-QFIPXVFZSA-N 1 0 519.719 3.132 1 0 KGAFRO C[NH+](C)CCOCC1CCN(c2nc(N3CC[C@H](C(N)=O)C3)nc3scc(-c4ccccc4)c32)CC1 ZINC000146509107 562838610 /nfs/dbraw/zinc/83/86/10/562838610.db2.gz KLTBWWIMYDQNNO-NRFANRHFSA-N 1 0 508.692 3.465 1 0 KGAFRO C[NH+](C)CCOCC1CCN(c2nc(N3CC[C@@H](C(N)=O)C3)nc3scc(-c4ccccc4)c32)CC1 ZINC000146509330 562838633 /nfs/dbraw/zinc/83/86/33/562838633.db2.gz KLTBWWIMYDQNNO-OAQYLSRUSA-N 1 0 508.692 3.465 1 0 KGAFRO CN(C)CC[N@H+](C)CC1CCN(c2nc(N3CC[C@H](C(N)=O)C3)nc3scc(-c4ccccc4)c32)CC1 ZINC000146574916 562838732 /nfs/dbraw/zinc/83/87/32/562838732.db2.gz FTVLWTPTZVOACU-QFIPXVFZSA-N 1 0 521.735 3.380 1 0 KGAFRO CCC[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000146878280 562838882 /nfs/dbraw/zinc/83/88/82/562838882.db2.gz AXMHDGDAXHHFHE-BPTJMKCRSA-N 1 0 524.420 3.106 1 0 KGAFRO COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000147027409 562839039 /nfs/dbraw/zinc/83/90/39/562839039.db2.gz STXWDYNBQAITLF-LXFBAYGMSA-N 1 0 585.684 3.276 1 0 KGAFRO Cc1cc(C)c(CNC(=O)c2cc(-c3cnn(CCN4CCOCC4)c3)cc(N(C)[C@H]3CC[C@@H]([NH3+])CC3)c2C)c(=O)[nH]1 ZINC000147082682 562839117 /nfs/dbraw/zinc/83/91/17/562839117.db2.gz BCZRVAOCBSUBRK-MCZWQBSQSA-N 1 0 575.758 3.132 1 0 KGAFRO CN(c1ncccc1CNc1cccn2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12)S(C)(=O)=O ZINC000147175055 562839195 /nfs/dbraw/zinc/83/91/95/562839195.db2.gz QSZOUSWVOCYWSS-UHFFFAOYSA-N 1 0 536.662 3.350 1 0 KGAFRO C[N@@H+]1CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(=O)NCCc2ccc(-c4cc[nH]c(=O)c4)cc2)c(O)c13 ZINC000147218930 562839244 /nfs/dbraw/zinc/83/92/44/562839244.db2.gz WJRDBMPSRMAQBU-KVXGTOJUSA-N 1 0 527.621 3.114 1 0 KGAFRO O=C(NCCc1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1)c1ccc2c(c1O)[C@]13CC[N@@H+](CCc4ccccc4)[C@H](C2)[C@]1(O)CCC(=O)C3 ZINC000147230535 562839230 /nfs/dbraw/zinc/83/92/30/562839230.db2.gz ZACLASYUKHPVHU-QPQSGNJTSA-N 1 0 634.733 3.003 1 0 KGAFRO O=C(NCC[C@H](O)CO)[C@@H]1[NH2+][C@H](CC2CC2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1 ZINC000147567183 562839435 /nfs/dbraw/zinc/83/94/35/562839435.db2.gz PODRKMGRPAVHNA-WKYIVVMRSA-N 1 0 536.431 3.106 1 0 KGAFRO COC(=O)C[C@@]1(C(=O)O[C@@H]2C(OC)=C[C@]34CCC[N@H+]3CCc3cc5c(cc3[C@H]24)OCO5)CCC(C)(C)O1 ZINC000147608355 562839480 /nfs/dbraw/zinc/83/94/80/562839480.db2.gz CKBBXOLKVXFLSX-KSZYUSJVSA-N 1 0 513.587 3.236 1 0 KGAFRO COc1cc(N2CC[NH2+]CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccccc2CC(N)=O)n1 ZINC000147850535 562839693 /nfs/dbraw/zinc/83/96/93/562839693.db2.gz UAFDWTTZIJTWGE-UHFFFAOYSA-N 1 0 514.552 3.470 1 0 KGAFRO C[NH+](C)C[C@@]1(F)C[C@@H](C(=O)NCc2cccc(Cl)c2F)N(C(=O)Cc2cn(C(N)=O)c3ccccc23)C1 ZINC000148015184 562839854 /nfs/dbraw/zinc/83/98/54/562839854.db2.gz IEWSPHBQZWPKIT-LVXARBLLSA-N 1 0 531.991 3.090 1 0 KGAFRO Cc1ccc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Nc1ncnc2c(N)nc(N3C[C@H]4C[C@@H]3C[N@H+]4C)nc12 ZINC000148038782 562839993 /nfs/dbraw/zinc/83/99/93/562839993.db2.gz NBALHSCWNFGAQV-IAGOWNOFSA-N 1 0 527.637 3.220 1 0 KGAFRO C[NH+](C)CCOc1ccc2c(c1)c(CC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)NCc1cccc(Cl)c1F)cn2C(N)=O ZINC000148067278 562840075 /nfs/dbraw/zinc/84/00/75/562840075.db2.gz INXWTCYEKYNMTF-VEYWIMSWSA-N 1 0 556.038 3.149 1 0 KGAFRO CN(C)CC[NH2+]Cc1cc(Cl)c(F)c(CNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 ZINC000148123497 562840282 /nfs/dbraw/zinc/84/02/82/562840282.db2.gz NGYZEWVXKQXVIR-JPYJTQIMSA-N 1 0 576.048 3.273 1 0 KGAFRO CC(=O)c1cn(CC(=O)N2C[C@@](F)(C[NH3+])C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2ccccc12 ZINC000148133548 562840264 /nfs/dbraw/zinc/84/02/64/562840264.db2.gz VRZDHQMNTIYONO-OFVILXPXSA-N 1 0 502.949 3.221 1 0 KGAFRO C[NH+]1CCN(Cc2cc(Cl)c(F)c(CNC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Nc3cn(C(N)=O)c4ccccc34)c2)CC1 ZINC000148148336 562840326 /nfs/dbraw/zinc/84/03/26/562840326.db2.gz RIJHBQGVXFXDDG-DVECYGJZSA-N 1 0 588.059 3.369 1 0 KGAFRO NC(=O)n1cc(NC(=O)N2[C@@H](C[NH3+])CC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc21 ZINC000148155491 562840361 /nfs/dbraw/zinc/84/03/61/562840361.db2.gz UQOCPJMFGKJYEA-KUHUBIRLSA-N 1 0 504.469 3.429 1 0 KGAFRO C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cc1cn(C(N)=O)c2ccccc12)c1cccc(Cl)c1F ZINC000148159509 562840358 /nfs/dbraw/zinc/84/03/58/562840358.db2.gz SLTIVOOSZKFIRZ-ICYYRSKXSA-N 1 0 526.012 3.312 1 0 KGAFRO C[NH+]1CCN(c2ccc(Nc3nc4cccc(-c5ccc(CN6CCS(=O)(=O)CC6)cc5)n4n3)cc2)CC1 ZINC000148191992 562840541 /nfs/dbraw/zinc/84/05/41/562840541.db2.gz XEBHWFJSWBFHLK-UHFFFAOYSA-N 1 0 531.686 3.122 1 0 KGAFRO CN(c1ncccc1Nc1cccn2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nc12)S(C)(=O)=O ZINC000148192408 562840495 /nfs/dbraw/zinc/84/04/95/562840495.db2.gz ZENIDAUAXBWJDQ-UHFFFAOYSA-N 1 0 522.635 3.482 1 0 KGAFRO Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1Nc1ncnc2cnc(N3CCC[N@H+](C)CC3)nc21 ZINC000148219569 562840619 /nfs/dbraw/zinc/84/06/19/562840619.db2.gz YPXAWERDSZSDEJ-UHFFFAOYSA-N 1 0 575.699 3.116 1 0 KGAFRO NC(=O)n1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc21 ZINC000148222641 562840618 /nfs/dbraw/zinc/84/06/18/562840618.db2.gz LSKVYLUDIRJGIU-YJYMSZOUSA-N 1 0 504.469 3.287 1 0 KGAFRO Cc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1Nc1ncnc2cnc(N3CC[NH2+]CC3)nc21 ZINC000148251250 562840715 /nfs/dbraw/zinc/84/07/15/562840715.db2.gz XMKJEGWGXVQVRE-UHFFFAOYSA-N 1 0 516.513 3.004 1 0 KGAFRO NC(=O)n1cc(NC(=O)N2C[C@@](F)(C[NH3+])C[C@H]2C(=O)NCc2c(F)ccc(Cl)c2F)c2ccccc21 ZINC000148290636 562840916 /nfs/dbraw/zinc/84/09/16/562840916.db2.gz KJDMICLXZUJHMT-MBSDFSHPSA-N 1 0 522.915 3.089 1 0 KGAFRO C[NH2+]C[C@@]1(F)C[C@@H](C(=O)NCc2cccc(Cl)c2F)N(C(=O)Nc2cn(C(N)=O)c3ccccc23)C1 ZINC000148353690 562841145 /nfs/dbraw/zinc/84/11/45/562841145.db2.gz ASMBSIFYJHKEKA-CYFREDJKSA-N 1 0 518.952 3.211 1 0 KGAFRO NC(=O)n1cc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc21 ZINC000148366959 562841156 /nfs/dbraw/zinc/84/11/56/562841156.db2.gz LSKVYLUDIRJGIU-DJJJIMSYSA-N 1 0 504.469 3.287 1 0 KGAFRO C[NH+]1CCN(c2cc(Cl)c(F)c(CNC(=O)[C@@H]3C[C@@H](F)CN3C(=O)Nc3cn(C(N)=O)c4ccccc34)c2)CC1 ZINC000148404105 562841262 /nfs/dbraw/zinc/84/12/62/562841262.db2.gz OCBLTGGYNYCCMC-HXOBKFHXSA-N 1 0 574.032 3.373 1 0 KGAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(OCCN2CCCC2=O)n1 ZINC000148459788 562841376 /nfs/dbraw/zinc/84/13/76/562841376.db2.gz XIWRKNQYDLSGCU-UHFFFAOYSA-N 1 0 536.555 3.073 1 0 KGAFRO C[NH+](C)[C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2F)N(C(=O)Nc2cn(C(N)=O)c3ccccc23)C1 ZINC000148519303 562841490 /nfs/dbraw/zinc/84/14/90/562841490.db2.gz PPBRIGWIDSBGOG-YWZLYKJASA-N 1 0 500.962 3.213 1 0 KGAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000148733713 562841674 /nfs/dbraw/zinc/84/16/74/562841674.db2.gz FBTSKWSQTLDOFN-MRXNPFEDSA-N 1 0 500.024 3.265 1 0 KGAFRO O=C(C[N@H+]1CC[C@@H](C(=O)Nc2ccc(O)c(Cl)c2)C1)N1CCN(c2ccc(-c3cnco3)cc2)CC1 ZINC000148736114 562841718 /nfs/dbraw/zinc/84/17/18/562841718.db2.gz HMDUWHWFAVYNPC-LJQANCHMSA-N 1 0 509.994 3.310 1 0 KGAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1CN(C2CCC([NH+]3CCSCC3)CC2)C1 ZINC000149000451 562842104 /nfs/dbraw/zinc/84/21/04/562842104.db2.gz LQOWULNLASVYJL-UHFFFAOYSA-N 1 0 508.614 3.221 1 0 KGAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@H]2CC[C@H](n3ccccc3=O)CC2)C1 ZINC000149094104 562842074 /nfs/dbraw/zinc/84/20/74/562842074.db2.gz RPKMHVGCGFYHEK-KDURUIRLSA-N 1 0 500.525 3.207 1 0 KGAFRO CC[C@H](NC(C)=O)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149110873 562842137 /nfs/dbraw/zinc/84/21/37/562842137.db2.gz MLYJRWKZIRPFEC-SCWSEQNSSA-N 1 0 506.573 3.334 1 0 KGAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCC7(CO)CC7)nc65)(CC3)OC4)nc2N1 ZINC000149121467 562842160 /nfs/dbraw/zinc/84/21/60/562842160.db2.gz LDCYXCYVKCIBDF-UHFFFAOYSA-N 1 0 563.630 3.450 1 0 KGAFRO COC(=O)c1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149121749 562842132 /nfs/dbraw/zinc/84/21/32/562842132.db2.gz GUTOCTQLMMUUBN-UHFFFAOYSA-N 1 0 521.549 3.086 1 0 KGAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@H]2CC[C@H]([C@@H]3CCCC(=O)N3)CC2)C1 ZINC000149125705 562842177 /nfs/dbraw/zinc/84/21/77/562842177.db2.gz UUIMLSGJBLJBMQ-CVAIRZPRSA-N 1 0 504.557 3.088 1 0 KGAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@H]2CC[C@H]([C@H]3CCCC(=O)N3)CC2)C1 ZINC000149125893 562842150 /nfs/dbraw/zinc/84/21/50/562842150.db2.gz UUIMLSGJBLJBMQ-MOXGXCLJSA-N 1 0 504.557 3.088 1 0 KGAFRO CN(C)c1nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1F ZINC000149134312 562842204 /nfs/dbraw/zinc/84/22/04/562842204.db2.gz VDRAVYVWNMRWRJ-UHFFFAOYSA-N 1 0 506.582 3.365 1 0 KGAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@H]2CC[C@H](CN3CCCCC3=O)CC2)C1 ZINC000149135726 562842187 /nfs/dbraw/zinc/84/21/87/562842187.db2.gz NVQXNCCSCBQYAF-MSEWRSJXSA-N 1 0 518.584 3.432 1 0 KGAFRO CC(C)C(=O)NC[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149143265 562842185 /nfs/dbraw/zinc/84/21/85/562842185.db2.gz DLDVMCFFRYADLW-UWUNEBHHSA-N 1 0 506.573 3.192 1 0 KGAFRO CN1C(=O)CC[C@H]1[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149145206 562842272 /nfs/dbraw/zinc/84/22/72/562842272.db2.gz ZSHYCOIOBDLTRO-KLHJMIIUSA-N 1 0 504.557 3.041 1 0 KGAFRO CN1C(=O)CC[C@@H]1[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149145400 562842278 /nfs/dbraw/zinc/84/22/78/562842278.db2.gz ZSHYCOIOBDLTRO-FYINFDKHSA-N 1 0 504.557 3.041 1 0 KGAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCCCCO)nc65)(CC3)OC4)nc2N1 ZINC000149149082 562842284 /nfs/dbraw/zinc/84/22/84/562842284.db2.gz GXTVQPOIAIZQBV-UHFFFAOYSA-N 1 0 551.619 3.450 1 0 KGAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCCc7cc(=O)c(O)c[nH]7)nc65)(CC3)OC4)nc2N1 ZINC000149150318 562842294 /nfs/dbraw/zinc/84/22/94/562842294.db2.gz ISSPJNHSXREIMX-UHFFFAOYSA-N 1 0 616.650 3.314 1 0 KGAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@H]2CC[C@H]([C@H](O)C(F)(F)F)CC2)C1 ZINC000149158453 562842351 /nfs/dbraw/zinc/84/23/51/562842351.db2.gz UGPDICGCZGEZCD-HGQUKEQDSA-N 1 0 505.463 3.343 1 0 KGAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@H]2CC[C@H]([C@@H](O)C(F)(F)F)CC2)C1 ZINC000149158635 562842315 /nfs/dbraw/zinc/84/23/15/562842315.db2.gz UGPDICGCZGEZCD-XFHNUULXSA-N 1 0 505.463 3.343 1 0 KGAFRO COc1ccc2ncc(OC)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149163874 562842309 /nfs/dbraw/zinc/84/23/09/562842309.db2.gz JHEPPJMJLFAYSQ-UHFFFAOYSA-N 1 0 505.575 3.177 1 0 KGAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCc7cc(=O)c(O)c[nH]7)nc65)(CC3)OC4)nc2N1 ZINC000149165050 562842305 /nfs/dbraw/zinc/84/23/05/562842305.db2.gz PPPQBGNVVDZAFH-UHFFFAOYSA-N 1 0 602.623 3.272 1 0 KGAFRO CC[C@H](NC(=O)N(C)C)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149168228 562842363 /nfs/dbraw/zinc/84/23/63/562842363.db2.gz AKBJXQNRSUTPPR-SCWSEQNSSA-N 1 0 535.615 3.470 1 0 KGAFRO COc1ccc2ncc(F)c(C[C@@H](F)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149168756 562842349 /nfs/dbraw/zinc/84/23/49/562842349.db2.gz ZFUZSVJLUSECGZ-LSCLNCKRSA-N 1 0 511.529 3.256 1 0 KGAFRO COc1ccc2ncc(F)c(C[C@H](F)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149168974 562842331 /nfs/dbraw/zinc/84/23/31/562842331.db2.gz ZFUZSVJLUSECGZ-WOEOTAOXSA-N 1 0 511.529 3.256 1 0 KGAFRO COc1nc2c(cc1F)ncc(F)c2CCC12CCC([NH2+]Cc3ccc4c(n3)NC(=O)CO4)(CC1)CO2 ZINC000149172398 562842347 /nfs/dbraw/zinc/84/23/47/562842347.db2.gz XCSMKROOVVFXNT-UHFFFAOYSA-N 1 0 511.529 3.447 1 0 KGAFRO NC(=O)C(F)(F)CCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149173097 562842353 /nfs/dbraw/zinc/84/23/53/562842353.db2.gz ATPGZRKICBQLSQ-UHFFFAOYSA-N 1 0 600.598 3.189 1 0 KGAFRO C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]([NH3+])[C@H]1S(=O)(=O)CCO ZINC000149176844 562842376 /nfs/dbraw/zinc/84/23/76/562842376.db2.gz XQMOXTIXSKOQJT-LCNIEQOASA-N 1 0 548.587 3.430 1 0 KGAFRO COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)N(C)C(=O)CO6)(CC3)CO4)c2n1 ZINC000149177831 562842412 /nfs/dbraw/zinc/84/24/12/562842412.db2.gz BGTUUOBDDMDNLS-UHFFFAOYSA-N 1 0 507.566 3.332 1 0 KGAFRO CC[C@H](NC(=O)NC)[C@H]1CC[C@H]([NH+]2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149183286 562842371 /nfs/dbraw/zinc/84/23/71/562842371.db2.gz NNACJEVDIMYBDU-CVAIRZPRSA-N 1 0 521.588 3.127 1 0 KGAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(OCCCO)nc65)(CC3)OC4)nc2N1 ZINC000149189577 562842405 /nfs/dbraw/zinc/84/24/05/562842405.db2.gz DDGUECXQOLRLTK-UHFFFAOYSA-N 1 0 537.592 3.060 1 0 KGAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)N[C@H]1C[C@H]([NH+]2CCC(O)(c3cncs3)CC2)C1 ZINC000149204632 562842462 /nfs/dbraw/zinc/84/24/62/562842462.db2.gz LCOOFJGNYNCBNF-IYBDPMFKSA-N 1 0 506.554 3.148 1 0 KGAFRO CN(C)c1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149206234 562842506 /nfs/dbraw/zinc/84/25/06/562842506.db2.gz HYGNCGIVYDCLDT-UHFFFAOYSA-N 1 0 506.582 3.365 1 0 KGAFRO O=C(CNc1ncnc2ccc(C(F)(F)F)cc21)NC1C[NH+]([C@H]2CC[C@H](CNC(=O)C(F)(F)F)CC2)C1 ZINC000149209282 562842483 /nfs/dbraw/zinc/84/24/83/562842483.db2.gz PZAJTNBPLDMBFE-AKAXFMLLSA-N 1 0 532.489 3.098 1 0 KGAFRO COCCOc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000149213152 562842491 /nfs/dbraw/zinc/84/24/91/562842491.db2.gz LEILKPWPQRGPQQ-UHFFFAOYSA-N 1 0 537.592 3.324 1 0 KGAFRO O=C1COc2ccc(C[NH2+]C34CCC(CCc5c(F)cnc6ccc(N7CCOCC7)nc65)(CC3)OC4)nc2N1 ZINC000149259923 562842557 /nfs/dbraw/zinc/84/25/57/562842557.db2.gz DLRCXWPQWVOEOS-UHFFFAOYSA-N 1 0 548.619 3.136 1 0 KGAFRO C[C@H]1C[N@H+](CC2CCOCC2)CCN1C(=O)N1Cc2c(NC(=O)c3cn(C4CCC4)cn3)n[nH]c2C1(C)C ZINC000149485071 562842712 /nfs/dbraw/zinc/84/27/12/562842712.db2.gz SELZCIIRRBGIGI-SFHVURJKSA-N 1 0 524.670 3.187 1 0 KGAFRO C[C@H]1C[N@H+](CC2CCOCC2)CCN1C(=O)N1Cc2c(NC(=O)c3coc(C4CC4)n3)n[nH]c2C1(C)C ZINC000149490480 562842694 /nfs/dbraw/zinc/84/26/94/562842694.db2.gz OMOISPRVIXHSFF-INIZCTEOSA-N 1 0 511.627 3.131 1 0 KGAFRO C[C@H]1C[N@H+](CC2CCOCC2)CCN1C(=O)N1Cc2c(NC(=O)c3ccc(Cl)cn3)n[nH]c2C1(C)C ZINC000149530510 562842681 /nfs/dbraw/zinc/84/26/81/562842681.db2.gz NUGXELBOVUZROZ-INIZCTEOSA-N 1 0 516.046 3.314 1 0 KGAFRO Cc1nc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2CC[N@@H+](CC4CCOCC4)C[C@@H]2C)C3(C)C)cs1 ZINC000149539962 562842702 /nfs/dbraw/zinc/84/27/02/562842702.db2.gz RKSIPXXWDSZJBI-HNNXBMFYSA-N 1 0 501.657 3.030 1 0 KGAFRO CCC(CC)(NC(=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NC1(C(=O)NC(c2ccccc2)c2ccccc2)CCCC1 ZINC000149763723 562842749 /nfs/dbraw/zinc/84/27/49/562842749.db2.gz BCIPILGGOSCOMC-MHZLTWQESA-N 1 0 633.838 3.400 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2C(F)(F)F)C1 ZINC000150108385 562842871 /nfs/dbraw/zinc/84/28/71/562842871.db2.gz ODVIWSKVDMGKBV-FJDDJUKFSA-N 1 0 508.585 3.232 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C(F)(F)F)cs2)C1 ZINC000150146142 562842909 /nfs/dbraw/zinc/84/29/09/562842909.db2.gz IRFFFXKBUHDQEI-KWYGVJCUSA-N 1 0 514.614 3.294 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C(F)(F)F)cn2)C1 ZINC000150149946 562842896 /nfs/dbraw/zinc/84/28/96/562842896.db2.gz RGQLEFJMFCNANW-YOTNXROXSA-N 1 0 508.585 3.232 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 ZINC000150150156 562842893 /nfs/dbraw/zinc/84/28/93/562842893.db2.gz CXHULVDMUOOGDN-YOTNXROXSA-N 1 0 508.585 3.232 1 0 KGAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 ZINC000150188400 562842968 /nfs/dbraw/zinc/84/29/68/562842968.db2.gz CXHULVDMUOOGDN-UHIXSVIISA-N 1 0 508.585 3.232 1 0 KGAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 ZINC000150188828 562842970 /nfs/dbraw/zinc/84/29/70/562842970.db2.gz CXHULVDMUOOGDN-AFFXMYPXSA-N 1 0 508.585 3.232 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)c2)C1 ZINC000150190565 562842954 /nfs/dbraw/zinc/84/29/54/562842954.db2.gz DTQIINKFPZNNKS-WSMPKYOYSA-N 1 0 508.585 3.232 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 ZINC000150196260 562842958 /nfs/dbraw/zinc/84/29/58/562842958.db2.gz CXHULVDMUOOGDN-CMFVPMADSA-N 1 0 508.585 3.232 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)n2)C1 ZINC000150223779 562842990 /nfs/dbraw/zinc/84/29/90/562842990.db2.gz IBSQUVZGKOFZKE-YPPVKOAUSA-N 1 0 508.585 3.232 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2F)C1 ZINC000150262014 562843035 /nfs/dbraw/zinc/84/30/35/562843035.db2.gz VHKCLNFHQBHHCJ-SHMKKINVSA-N 1 0 526.575 3.371 1 0 KGAFRO CCCCC[C@@H]1CC[C@@H](O)C[C@H]1OC[C@]1(O)C[C@@]23C(=C1C(=O)[O-])C[C@@H](CC[C@H]2C)[C@@]31CN(C(=[NH2+])NC)C=C[C@@H]1C[NH2+]CCO ZINC000150342098 565200028 /nfs/dbraw/zinc/20/00/28/565200028.db2.gz STJDIVRCHCHBEE-UMBCZVLPSA-N 1 0 616.844 3.233 1 0 biogenic,in-vitro KGAFRO CNC(=[NH2+])N1C=C[C@H](C[NH2+]CCO)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@](O)(CO[C@H]4CCC[C@](O)(Cc5ccccc5)C4)C[C@]32[C@H](C)CC1 ZINC000150342116 565200072 /nfs/dbraw/zinc/20/00/72/565200072.db2.gz UUVPTVUTLXEJKP-SNTWNYIQSA-N 1 0 636.834 3.040 1 0 biogenic,in-vitro KGAFRO [NH3+]CCOCCOCCOCCOCCOCCOCCCc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000150591569 562846280 /nfs/dbraw/zinc/84/62/80/562846280.db2.gz SEQWGYTZRGAXPW-UHFFFAOYSA-N 1 0 687.856 3.408 1 0 KGAFRO [NH3+]CCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c([O-])c(Br)c1)NC(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000164254023 562849559 /nfs/dbraw/zinc/84/95/59/562849559.db2.gz GSOATEFLZUCBES-AJQTZOPKSA-N 1 0 883.643 3.236 1 0 KGAFRO COc1cc(C(C)C)c(Oc2cnc(NC(=O)CNC3CC[NH+](C)CC3)nc2N)cc1I ZINC000164908356 562849764 /nfs/dbraw/zinc/84/97/64/562849764.db2.gz SMHNRQRGWNGECD-UHFFFAOYSA-N 1 0 554.433 3.210 1 0 KGAFRO NC(=O)C1=c2ncnc(N[C@@H](CC[NH+]3CCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)c2=CCC1 ZINC000166951673 562850523 /nfs/dbraw/zinc/85/05/23/562850523.db2.gz PDULEZONFAQVLI-VWLOTQADSA-N 1 0 575.511 3.341 1 0 KGAFRO NC(=O)C1=c2ncnc(N[C@H](CC[NH+]3CCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)c2=CCC1 ZINC000166951758 562850481 /nfs/dbraw/zinc/85/04/81/562850481.db2.gz PDULEZONFAQVLI-RUZDIDTESA-N 1 0 575.511 3.341 1 0 KGAFRO C[N@@H+]1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)cc2C1 ZINC000167964504 562851200 /nfs/dbraw/zinc/85/12/00/562851200.db2.gz KSSUCEGOJKECCV-UHFFFAOYSA-N 1 0 549.595 3.070 1 0 KGAFRO Cc1nnnn1-c1ccc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)C[C@@H]([NH+](C)C)CC4)c2)cc1 ZINC000167965423 562851146 /nfs/dbraw/zinc/85/11/46/562851146.db2.gz MDMDDLBGJKODKN-NRFANRHFSA-N 1 0 516.631 3.028 1 0 KGAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OC(=O)NCc2ccco2)C(C)C)ccc1OC ZINC000168185801 562851267 /nfs/dbraw/zinc/85/12/67/562851267.db2.gz USOFPMYUJNNUSD-GBXCKJPGSA-N 1 0 503.596 3.069 1 0 KGAFRO COCCCOc1cc(C(=O)N(C[C@H]2C[NH2+]C[C@@H]2OC(=O)NCc2ccccc2)C(C)C)ccc1OC ZINC000168247559 562851287 /nfs/dbraw/zinc/85/12/87/562851287.db2.gz WGHJKYWWSVIRLL-BVAGGSTKSA-N 1 0 513.635 3.476 1 0 KGAFRO Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H]([NH3+])C4)n(Cc4sccc4F)c3C2=O)nc2ccccc12 ZINC000168367602 562851354 /nfs/dbraw/zinc/85/13/54/562851354.db2.gz GRKJNKLGCBWLFP-QGZVFWFLSA-N 1 0 545.648 3.143 1 0 KGAFRO CC(=O)N1CC[NH+](CCCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ccc(Br)cc2)C32CC2)CC1 ZINC000168401227 562851318 /nfs/dbraw/zinc/85/13/18/562851318.db2.gz QZRKIRKRRQSZNT-UEQSERJNSA-N 1 0 543.506 3.277 1 0 KGAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2OC(=O)NCc2ccccc2)C(C)C)ccc1OC ZINC000168412408 562851360 /nfs/dbraw/zinc/85/13/60/562851360.db2.gz WGHJKYWWSVIRLL-JYFHCDHNSA-N 1 0 513.635 3.476 1 0 in-vitro KGAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1nc(Br)cs1)C21CC1 ZINC000168424174 562851363 /nfs/dbraw/zinc/85/13/63/562851363.db2.gz HCGJMCYOQULBPA-WOUAJJJCSA-N 1 0 507.498 3.342 1 0 KGAFRO O=C(NCCCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCc1cnc(Br)s1)C21CC1 ZINC000168425839 562851367 /nfs/dbraw/zinc/85/13/67/562851367.db2.gz DWCFMSPSZNUHTH-FCGDIQPGSA-N 1 0 507.498 3.342 1 0 KGAFRO CN1CC[NH+](CCCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)Nc2ccc(Br)cc2)C32CC2)CC1 ZINC000168453325 562851412 /nfs/dbraw/zinc/85/14/12/562851412.db2.gz LMRPYSPIPOVVKQ-KAOXLYBCSA-N 1 0 515.496 3.360 1 0 KGAFRO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168509891 562851443 /nfs/dbraw/zinc/85/14/43/562851443.db2.gz CLDWHNDGDOUFEH-CIAFKFPVSA-N 1 0 502.453 3.445 1 0 KGAFRO C[NH+]1CCN(CCCNC(=O)[C@@H]2[C@H]3CC[C@@H]([C@H]2C(=O)Nc2ccc(Br)cc2)C32CC2)CC1 ZINC000168514435 562851445 /nfs/dbraw/zinc/85/14/45/562851445.db2.gz QDGUYKYFIDZWDA-CIAFKFPVSA-N 1 0 503.485 3.194 1 0 KGAFRO O=C(NCCOCC[NH+]1CCCC1)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 ZINC000168524152 562851438 /nfs/dbraw/zinc/85/14/38/562851438.db2.gz UVNARXXLUOZHRR-CIAFKFPVSA-N 1 0 502.453 3.445 1 0 KGAFRO COC(=O)c1ccc(C[NH2+]C2CCN(C(=O)[C@@H](NC(=O)[C@H](CC3CCCC3)CN(O)C=O)C(C)(C)C)CC2)cc1 ZINC000168790822 562851547 /nfs/dbraw/zinc/85/15/47/562851547.db2.gz QZGSICYLOWPWMP-AOYPEHQESA-N 1 0 558.720 3.129 1 0 KGAFRO COc1ccc(-c2ccc3c(n2)nc(N2CCC[C@@H](C[NH+](C)C)C2)nc3N2CCOC[C@@H]2C)cc1CO ZINC000169018333 562851592 /nfs/dbraw/zinc/85/15/92/562851592.db2.gz IQQFBYZQRFBXSX-PMACEKPBSA-N 1 0 506.651 3.196 1 0 KGAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2N(C)S(=O)(=O)Cc2ccccc2)C(C)C)ccc1OC ZINC000169225080 562851670 /nfs/dbraw/zinc/85/16/70/562851670.db2.gz MWRWLHRYTHBVST-LOSJGSFVSA-N 1 0 547.718 3.011 1 0 KGAFRO CCCN1CC[C@H]([NH2+]Cc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 ZINC000169291079 562851873 /nfs/dbraw/zinc/85/18/73/562851873.db2.gz DTVGIALKWCQVQS-GOTSBHOMSA-N 1 0 537.652 3.498 1 0 KGAFRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 ZINC000169291272 562851895 /nfs/dbraw/zinc/85/18/95/562851895.db2.gz MMDVYTNVMZTCRL-VXKWHMMOSA-N 1 0 551.635 3.138 1 0 KGAFRO CCCN1CC[C@H]([NH2+]Cc2ccc(SC)cc2)[C@@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 ZINC000169291773 562851953 /nfs/dbraw/zinc/85/19/53/562851953.db2.gz QCBRPSGOJNPXNN-GOTSBHOMSA-N 1 0 537.652 3.498 1 0 KGAFRO Cc1ccc(CNS(=O)(=O)N2CCN(/C(C=[NH2+])=C(\O[C@@H]3CC[C@@H](F)C3)C(=O)Nc3cc(F)cc(F)c3)CC2)cc1N ZINC000169292848 562852042 /nfs/dbraw/zinc/85/20/42/562852042.db2.gz ZEZWPXXVGFNBCO-VRLGAXENSA-N 1 0 594.660 3.214 1 0 KGAFRO Cc1ccc(CNS(=O)(=O)N2CCN(/C(C=[NH2+])=C(\O[C@H]3CC[C@@H](F)C3)C(=O)Nc3cc(F)cc(F)c3)CC2)cc1N ZINC000169292849 562852041 /nfs/dbraw/zinc/85/20/41/562852041.db2.gz ZEZWPXXVGFNBCO-LSOSKEJISA-N 1 0 594.660 3.214 1 0 KGAFRO CCc1[nH]c2nc(Sc3ccc4c(c3)nc(C(=O)[O-])nc4N3CC[C@@H]([NH3+])C3)nc(N3CC[C@@H]([NH3+])C3)c2c1Cl ZINC000169295726 562852383 /nfs/dbraw/zinc/85/23/83/562852383.db2.gz NKTFEWUSDITPCC-CHWSQXEVSA-N 1 0 554.080 3.041 1 0 KGAFRO CC(C)(C)c1cccc(C[NH2+][C@H]2C[S@](=O)C[C@@H](Cc3cc(F)c(N)c(O[C@H](CO)C(F)(F)F)c3)[C@@H]2O)c1 ZINC000169300296 562852791 /nfs/dbraw/zinc/85/27/91/562852791.db2.gz KVJZSBQIJYQMHT-STZPNVHWSA-N 1 0 546.627 3.448 1 0 KGAFRO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCC2)C(=O)C1=O ZINC000169311271 562855113 /nfs/dbraw/zinc/85/51/13/562855113.db2.gz YDWPLDCELAEATF-IQLXHWPESA-N 1 0 673.855 3.073 1 0 KGAFRO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(CC2CCCC2)C(=O)C1=O ZINC000169311272 562855093 /nfs/dbraw/zinc/85/50/93/562855093.db2.gz YDWPLDCELAEATF-VWPRMMSESA-N 1 0 673.855 3.073 1 0 KGAFRO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCC2)C(=O)C1=O ZINC000169311283 562855085 /nfs/dbraw/zinc/85/50/85/562855085.db2.gz YDWPLDCELAEATF-ZLESDFJESA-N 1 0 673.855 3.073 1 0 KGAFRO CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc(O)cc2)N(CC2CCCC2)C(=O)C1=O ZINC000169311285 562855080 /nfs/dbraw/zinc/85/50/80/562855080.db2.gz YDWPLDCELAEATF-OKDNLZPVSA-N 1 0 673.855 3.073 1 0 KGAFRO Cc1cc(NC(=O)CCCC[NH3+])cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000169312355 562855346 /nfs/dbraw/zinc/85/53/46/562855346.db2.gz HNDUFZQTCISTMT-CJQWETNPSA-N 1 0 745.943 3.293 1 0 KGAFRO CC(=O)Nc1ccc2c(c1)c([O-])c(CCC[NH+]1CCN(c3ccccc3)CC1)c(=O)n2CCC[NH+](C)C ZINC000169319141 562856156 /nfs/dbraw/zinc/85/61/56/562856156.db2.gz WUCDOPSJVNHBEN-RUZDIDTESA-N 1 0 505.663 3.345 1 0 KGAFRO CC(=O)Nc1ccc2c(c1)c([O-])c(CCC[NH+]1CCN(c3ccccc3)CC1)c(=O)n2CCC[NH+](C)C ZINC000169319143 562856172 /nfs/dbraw/zinc/85/61/72/562856172.db2.gz WUCDOPSJVNHBEN-VWLOTQADSA-N 1 0 505.663 3.345 1 0 KGAFRO COc1cc2c([O-])c(CCC[NH+]3CCN(c4ccccc4)CC3)c(=O)n(CCC[NH+](C)C)c2cc1OC ZINC000169319146 562856179 /nfs/dbraw/zinc/85/61/79/562856179.db2.gz MDNLKRICVQXDFD-QHCPKHFHSA-N 1 0 508.663 3.403 1 0 KGAFRO COc1cc2c([O-])c(CCC[NH+]3CCN(c4ccccc4)CC3)c(=O)n(CCC[NH+](C)C)c2cc1OC ZINC000169319148 562856182 /nfs/dbraw/zinc/85/61/82/562856182.db2.gz MDNLKRICVQXDFD-HSZRJFAPSA-N 1 0 508.663 3.403 1 0 KGAFRO C[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169321162 562856551 /nfs/dbraw/zinc/85/65/51/562856551.db2.gz XPVYVIWUVHFYBC-ADUSHDQVSA-N 1 0 551.647 3.495 1 0 KGAFRO [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169321163 562856549 /nfs/dbraw/zinc/85/65/49/562856549.db2.gz DNVSIHNWFQFDTF-NSOVKSMOSA-N 1 0 537.620 3.106 1 0 KGAFRO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1 ZINC000169321204 562856599 /nfs/dbraw/zinc/85/65/99/562856599.db2.gz CEGRLYSQYGXBTQ-MHDHXZMLSA-N 1 0 617.710 3.441 1 0 KGAFRO CNC(=O)NCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(-c3ccc(OC)cc3OC)c2)CC1 ZINC000169323461 562857039 /nfs/dbraw/zinc/85/70/39/562857039.db2.gz HJGBKSHYCKEJGU-LJAQVGFWSA-N 1 0 650.802 3.102 1 0 KGAFRO COc1ccc(C2=[NH+]O[C@@H](COc3ccc(-c4nnnn4-c4cc(OC)c(OC)c(OC)c4)cc3N)C2)cc1N ZINC000169323602 562857131 /nfs/dbraw/zinc/85/71/31/562857131.db2.gz HCHVSHJCPSYMGE-GOSISDBHSA-N 1 0 547.572 3.100 1 0 KGAFRO COc1ccc(C2=[NH+]O[C@H](COc3ccc(-c4nnnn4-c4cc(OC)c(OC)c(OC)c4)cc3N)C2)cc1N ZINC000169323603 562857134 /nfs/dbraw/zinc/85/71/34/562857134.db2.gz HCHVSHJCPSYMGE-SFHVURJKSA-N 1 0 547.572 3.100 1 0 KGAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N3CCC[C@@H]3C2=O)c1 ZINC000169326904 562857901 /nfs/dbraw/zinc/85/79/01/562857901.db2.gz FKLLOBGCMPASPJ-RUZDIDTESA-N 1 0 582.665 3.388 1 0 KGAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N3CCC[C@H]3C2=O)c1 ZINC000169326907 562857866 /nfs/dbraw/zinc/85/78/66/562857866.db2.gz FKLLOBGCMPASPJ-VWLOTQADSA-N 1 0 582.665 3.388 1 0 KGAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@@H](C)C2=O)c1 ZINC000169326914 562857891 /nfs/dbraw/zinc/85/78/91/562857891.db2.gz KWCSAJCODOPDPD-IBGZPJMESA-N 1 0 570.654 3.244 1 0 KGAFRO C=CC(=O)Nc1cccc(N2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3C(=O)N(C)[C@H](C)C2=O)c1 ZINC000169326915 562857871 /nfs/dbraw/zinc/85/78/71/562857871.db2.gz KWCSAJCODOPDPD-LJQANCHMSA-N 1 0 570.654 3.244 1 0 KGAFRO COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCC[NH+](C)C)ccc4sc3c2=O)CC1 ZINC000169327743 562858155 /nfs/dbraw/zinc/85/81/55/562858155.db2.gz NTCOZURJKJMLEZ-UHFFFAOYSA-N 1 0 564.712 3.016 1 0 KGAFRO COc1cc(N2CC[NH+](C)CC2)ccc1-c1nc2ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)c2[nH]1 ZINC000169329262 562858506 /nfs/dbraw/zinc/85/85/06/562858506.db2.gz MZGDIKYASHMRSG-UGCQDJOBSA-N 1 0 508.026 3.127 1 0 KGAFRO COc1cc(CN2CC[NH+](C)CC2)ccc1-c1nc2ncc(Cl)c(N[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C(N)=O)c2[nH]1 ZINC000169329265 562858487 /nfs/dbraw/zinc/85/84/87/562858487.db2.gz CAIAMTHZGVFCNA-XKPGHWPRSA-N 1 0 522.053 3.122 1 0 KGAFRO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@H+](C[C@@H]5CCO5)C4)c(=O)c3n2)c1 ZINC000169329325 562858517 /nfs/dbraw/zinc/85/85/17/562858517.db2.gz VSUOMXAZFZVBJV-REWPJTCUSA-N 1 0 500.603 3.462 1 0 KGAFRO COc1cccc(-n2cc3nc(-c4cccnc4C)n(C[C@H]4CCC[N@H+](C[C@H]5CCO5)C4)c(=O)c3n2)c1 ZINC000169329326 562858484 /nfs/dbraw/zinc/85/84/84/562858484.db2.gz VSUOMXAZFZVBJV-NZQKXSOJSA-N 1 0 500.603 3.462 1 0 KGAFRO [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000169330899 562858871 /nfs/dbraw/zinc/85/88/71/562858871.db2.gz SNAOCLZEABCIRL-QKDODKLFSA-N 1 0 516.642 3.169 1 0 KGAFRO [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000169330901 562858873 /nfs/dbraw/zinc/85/88/73/562858873.db2.gz SNAOCLZEABCIRL-VJGNERBWSA-N 1 0 516.642 3.169 1 0 KGAFRO CO[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2O[C@H](C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334750 562859520 /nfs/dbraw/zinc/85/95/20/562859520.db2.gz XMTXQDIZYVDCJX-PWBTVLIOSA-N 1 0 509.569 3.095 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2O[C@H](C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169334752 562859511 /nfs/dbraw/zinc/85/95/11/562859511.db2.gz XMTXQDIZYVDCJX-ITUFKFQMSA-N 1 0 509.569 3.095 1 0 KGAFRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]2CCCC[C@@H]2[C@@H](C(=O)N2CCN(c3cccc(=O)n3C)CC2)C1 ZINC000169335093 562859582 /nfs/dbraw/zinc/85/95/82/562859582.db2.gz BVQMTPGDMYCMMB-DNZIZEQUSA-N 1 0 534.701 3.380 1 0 KGAFRO COc1cc2c(cc1OC)C[N@H+](CCCCNC(=O)c1cn(Cc3cccc(OCCF)c3)nn1)CC2 ZINC000169341138 562860719 /nfs/dbraw/zinc/86/07/19/562860719.db2.gz MKUUZKOTWLTNSM-UHFFFAOYSA-N 1 0 511.598 3.260 1 0 KGAFRO O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CC[N@H+](CC3CC3)[C@@H]4C7)[C@H]25)N1Cc1ccccc1 ZINC000169341275 562860773 /nfs/dbraw/zinc/86/07/73/562860773.db2.gz XATNEAMXYXBFBX-HJGLZJKISA-N 1 0 500.595 3.323 1 0 KGAFRO O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CC[N@H+](CC3CC3)[C@@H]4C7)[C@H]25)N1CCc1ccccc1 ZINC000169341287 562860789 /nfs/dbraw/zinc/86/07/89/562860789.db2.gz ASWPFFLMSHOYIM-NLIGWKNISA-N 1 0 514.622 3.366 1 0 KGAFRO COc1cc2c(cc1OC)C[N@H+](CCCCNC(=O)c1cn(Cc3ccc(OCCF)cc3)nn1)CC2 ZINC000169341776 562860897 /nfs/dbraw/zinc/86/08/97/562860897.db2.gz IAJSKPURDJLVJD-UHFFFAOYSA-N 1 0 511.598 3.260 1 0 KGAFRO CNC(=O)c1cnc(N2CCN(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)[C@@H](C(=O)OC)C2)c(Cl)c1 ZINC000169343907 562861321 /nfs/dbraw/zinc/86/13/21/562861321.db2.gz ZVQHEZKGRFHDCT-JOCHJYFZSA-N 1 0 520.461 3.076 1 0 KGAFRO COc1ccc(-n2cc(-c3cncn3C)nn2)cc1C(=O)NCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000169344545 562861419 /nfs/dbraw/zinc/86/14/19/562861419.db2.gz DHBXXQLHAFZLFT-UHFFFAOYSA-N 1 0 545.644 3.262 1 0 KGAFRO COc1ccc(-n2cc(COCCOCCF)nn2)cc1C(=O)NCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000169344548 562861411 /nfs/dbraw/zinc/86/14/11/562861411.db2.gz XRWDLZLYEUIDBH-UHFFFAOYSA-N 1 0 585.677 3.364 1 0 KGAFRO COc1cc2c(cc1OC)C[N@H+](CCCCNC(=O)c1cc(-n3cc(CN(C)C)nn3)ccc1OCCF)CC2 ZINC000169344549 562861426 /nfs/dbraw/zinc/86/14/26/562861426.db2.gz LPNZKYXKEKMCLP-UHFFFAOYSA-N 1 0 554.667 3.263 1 0 KGAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(c3ncncc3C3CC3)C2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000169348050 562862125 /nfs/dbraw/zinc/86/21/25/562862125.db2.gz MMCGENFUFLRCPV-FREGXXQWSA-N 1 0 571.788 3.351 1 0 KGAFRO COC(=O)C[C@H](N)C(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169348471 562862264 /nfs/dbraw/zinc/86/22/64/562862264.db2.gz VIVSQIXPRYNJAE-NDEPHWFRSA-N 1 0 542.680 3.257 1 0 KGAFRO O=C(Cc1ccccc1)NC1CCN(c2ccc(CC[NH2+]C[C@@H](O)c3ccc(O)c(CO)c3)cc2)CC1 ZINC000169351217 562862962 /nfs/dbraw/zinc/86/29/62/562862962.db2.gz MWHVENCCJCTGNP-GDLZYMKVSA-N 1 0 503.643 3.078 1 0 KGAFRO O=C(Cc1ccccc1)NC1CCN(c2ccc(CC[NH2+]C[C@H](O)c3ccc(O)c(CO)c3)cc2)CC1 ZINC000169351218 562862967 /nfs/dbraw/zinc/86/29/67/562862967.db2.gz MWHVENCCJCTGNP-LJAQVGFWSA-N 1 0 503.643 3.078 1 0 KGAFRO COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1(C(=O)NCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000169352808 562863193 /nfs/dbraw/zinc/86/31/93/562863193.db2.gz HEFPHMTUEOVBMD-VWLOTQADSA-N 1 0 566.699 3.252 1 0 KGAFRO CC(=O)c1ccc(-c2cn(C3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)nn2)cc1 ZINC000169353844 562863607 /nfs/dbraw/zinc/86/36/07/562863607.db2.gz APKVJMCUTRTODB-AREMUKBSSA-N 1 0 507.545 3.242 1 0 KGAFRO CC(=O)c1ccc(-c2cn(C3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)nn2)cc1 ZINC000169353845 562863594 /nfs/dbraw/zinc/86/35/94/562863594.db2.gz APKVJMCUTRTODB-SANMLTNESA-N 1 0 507.545 3.242 1 0 KGAFRO CN(C)c1ccc(-c2cn(C3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)nn2)cc1 ZINC000169353847 562863604 /nfs/dbraw/zinc/86/36/04/562863604.db2.gz UJVARDMWLQCUSW-AREMUKBSSA-N 1 0 508.577 3.106 1 0 KGAFRO CN(C)c1ccc(-c2cn(C3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)nn2)cc1 ZINC000169353848 562863610 /nfs/dbraw/zinc/86/36/10/562863610.db2.gz UJVARDMWLQCUSW-SANMLTNESA-N 1 0 508.577 3.106 1 0 KGAFRO CCOCCN(C[C@@H](O)CN1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000169354325 562863649 /nfs/dbraw/zinc/86/36/49/562863649.db2.gz GRFJJAWWBOABJH-RXFWQSSRSA-N 1 0 586.629 3.299 1 0 KGAFRO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCc3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C ZINC000169354394 562863643 /nfs/dbraw/zinc/86/36/43/562863643.db2.gz KDVVGAZDAXSUBA-LBNVMWSVSA-N 1 0 532.703 3.257 1 0 KGAFRO CS(=O)(=O)c1ccc([C@]2(O)CCCC[C@@H]2[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccc(F)cc2)cc1 ZINC000169354653 562863685 /nfs/dbraw/zinc/86/36/85/562863685.db2.gz WDQQGNUJUAWECX-ONBPZOJHSA-N 1 0 500.636 3.355 1 0 KGAFRO CS(=O)(=O)c1ccc([C@]2(O)CCCC[C@H]2[NH+]2CCC3(CC2)C(=O)NC[C@@H]3c2ccc(F)cc2)cc1 ZINC000169354655 562863691 /nfs/dbraw/zinc/86/36/91/562863691.db2.gz WDQQGNUJUAWECX-FKCDAAJZSA-N 1 0 500.636 3.355 1 0 KGAFRO Cc1cc(N2CC[N@H+](Cc3ccccc3)[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)C2)nc(-n2ccnc2)n1 ZINC000169355051 562863711 /nfs/dbraw/zinc/86/37/11/562863711.db2.gz DVUZLCFDNOGYKM-DEOSSOPVSA-N 1 0 525.613 3.097 1 0 KGAFRO C[N@@H+]1CCC[C@@H]1CCN1CC(=O)N(CCc2ccccc2)[C@@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000169356551 562863845 /nfs/dbraw/zinc/86/38/45/562863845.db2.gz IVGCRCSKSLLERP-VPUSJEBWSA-N 1 0 616.590 3.006 1 0 KGAFRO C[N@@H+]1CCC[C@H]1CCN1CC(=O)N(CCc2ccccc2)[C@@H](CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(N)=O)C1=O ZINC000169356552 562863840 /nfs/dbraw/zinc/86/38/40/562863840.db2.gz IVGCRCSKSLLERP-BDYUSTAISA-N 1 0 616.590 3.006 1 0 KGAFRO CN1CCN(CC(=O)N[C@@H]2CC3([NH+]4CCN(C)CC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356594 562863857 /nfs/dbraw/zinc/86/38/57/562863857.db2.gz CJBMUHMUJCAWQQ-ZIQMFUFLSA-N 1 0 515.746 3.086 1 0 KGAFRO CC[C@H]1CN(c2nc(N)c(C(=O)NC[C@H](C)O)nc2Cl)CCN1C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000169356605 562863864 /nfs/dbraw/zinc/86/38/64/562863864.db2.gz GLFHPZGUFITFSB-PXNSSMCTSA-N 1 0 550.535 3.041 1 0 KGAFRO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+]([C@@H]2CCCC[C@H]2Cn2cncn2)CC1)[C@@H]1Cc2ccccc2CN1 ZINC000169364973 562864420 /nfs/dbraw/zinc/86/44/20/562864420.db2.gz IGHTWKPRGHQWSS-ZYVKACNBSA-N 1 0 590.172 3.077 1 0 KGAFRO CC[N@H+](CCCc1ccc(F)cc1)C[C@@H]1OC(=O)N(C)C[C@@]1(C)NC(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000169369533 562864696 /nfs/dbraw/zinc/86/46/96/562864696.db2.gz JPDQWWXKNYFGDS-WNCULLNHSA-N 1 0 538.628 3.302 1 0 KGAFRO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169369839 562864740 /nfs/dbraw/zinc/86/47/40/562864740.db2.gz LQBLSQUSWJJCSP-MOUGGMAISA-N 1 0 557.732 3.242 1 0 KGAFRO [NH3+][C@@]1(c2ccc(-c3nc4ccc5nnc([C@@H]6NCNN6)n5c4cc3-c3ccccc3)cc2)C[C@@](O)(C2CC2)C1 ZINC000169685289 562865039 /nfs/dbraw/zinc/86/50/39/562865039.db2.gz ZRAVSJSOSCTVLX-MJLPRTPSSA-N 1 0 518.625 3.354 1 0 KGAFRO [NH3+][C@@]1(c2ccc(-c3nc4ccc5nnc([C@H]6NCNN6)n5c4cc3-c3ccccc3)cc2)C[C@@](O)(C2CC2)C1 ZINC000169685290 562865063 /nfs/dbraw/zinc/86/50/63/562865063.db2.gz ZRAVSJSOSCTVLX-BKHJTQGXSA-N 1 0 518.625 3.354 1 0 KGAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@H](CCC2CC[NH2+]CC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)cc1 ZINC000169697456 562866423 /nfs/dbraw/zinc/86/64/23/562866423.db2.gz OITRKHUOZGPBJI-AJQTZOPKSA-N 1 0 690.867 3.061 1 0 KGAFRO CC(C)[C@H]([NH3+])C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 ZINC000169697697 562866539 /nfs/dbraw/zinc/86/65/39/562866539.db2.gz DOBKOINWUPQJPB-SFHVURJKSA-N 1 0 505.695 3.011 1 0 KGAFRO O=C(Cc1ccccc1)Nc1nnc(CC[NH2+]CCc2nnc(NC(=O)Cc3ccccc3)s2)s1 ZINC000169697913 562866714 /nfs/dbraw/zinc/86/67/14/562866714.db2.gz HEFOLHXNZZIZFB-UHFFFAOYSA-N 1 0 507.645 3.127 1 0 KGAFRO C[NH+](C)CC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1 ZINC000169698336 562867142 /nfs/dbraw/zinc/86/71/42/562867142.db2.gz JBOQQOBAULBGND-UHFFFAOYSA-N 1 0 600.749 3.434 1 0 KGAFRO C[C@H]1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2CC(F)(F)F)CC[NH2+]1 ZINC000169699351 562867566 /nfs/dbraw/zinc/86/75/66/562867566.db2.gz POQQJOGXPLNOOW-JTQLQIEISA-N 1 0 501.485 3.480 1 0 KGAFRO Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@H]([NH2+]CC2COC2)CC1 ZINC000169699391 562867569 /nfs/dbraw/zinc/86/75/69/562867569.db2.gz YAUZJVCSTPDHTP-HNNXBMFYSA-N 1 0 517.606 3.251 1 0 KGAFRO CO[C@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C2CC2)CC[C@@H]1[NH3+] ZINC000169699419 562867550 /nfs/dbraw/zinc/86/75/50/562867550.db2.gz VRZLMIQDXYQFMM-RDJZCZTQSA-N 1 0 503.579 3.397 1 0 KGAFRO CO[C@@H]1CCN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C2CC2)CC[C@@H]1[NH3+] ZINC000169699438 562867583 /nfs/dbraw/zinc/86/75/83/562867583.db2.gz VRZLMIQDXYQFMM-DOTOQJQBSA-N 1 0 503.579 3.397 1 0 KGAFRO COc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H]([NH3+])CC(F)(F)C3)c(N)s2)c(F)c1 ZINC000169699515 562867603 /nfs/dbraw/zinc/86/76/03/562867603.db2.gz RKILTOKSEYVWBA-SNVBAGLBSA-N 1 0 513.521 3.228 1 0 KGAFRO COc1cc(F)c(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@H]([NH3+])CC(F)(F)C3)c(N)s2)c(F)c1 ZINC000169699516 562867608 /nfs/dbraw/zinc/86/76/08/562867608.db2.gz RKILTOKSEYVWBA-JTQLQIEISA-N 1 0 513.521 3.228 1 0 KGAFRO CC[C@H]1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC[C@@]1(C[NH3+])OC ZINC000169699538 562867604 /nfs/dbraw/zinc/86/76/04/562867604.db2.gz LGMQSUJVMIUXBJ-NPMABZOXSA-N 1 0 505.595 3.237 1 0 KGAFRO O=C(NCCN1CCOCC1)[C@@H]1[NH2+]C2(CCOCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700243 562867620 /nfs/dbraw/zinc/86/76/20/562867620.db2.gz GUSHNQAWPAYFDT-ZQIDGUAPSA-N 1 0 577.484 3.076 1 0 KGAFRO CNC(=O)[C@@H]1[NH2+]C2(CCN(C(C)=O)CC2)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700249 562867635 /nfs/dbraw/zinc/86/76/35/562867635.db2.gz REHJJNQNQSNLAN-HWHXTQLESA-N 1 0 519.404 3.205 1 0 KGAFRO CNC(=O)[C@@H]1[NH2+]C2(CCN(C(C)=O)CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700250 562867657 /nfs/dbraw/zinc/86/76/57/562867657.db2.gz REHJJNQNQSNLAN-PIBDYAPNSA-N 1 0 519.404 3.205 1 0 KGAFRO Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H]([NH3+])C4)n(Cc4cc(F)ccc4F)c3C2=O)nc2ccccc12 ZINC000169701443 562868038 /nfs/dbraw/zinc/86/80/38/562868038.db2.gz DWBILHVCBQIJKX-HXUWFJFHSA-N 1 0 557.609 3.221 1 0 KGAFRO Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H]([NH3+])C4)n(Cc4cccc(F)c4)c3C2=O)nc2ccccc12 ZINC000169701445 562868035 /nfs/dbraw/zinc/86/80/35/562868035.db2.gz PUUKUAAIHRSDSZ-OAQYLSRUSA-N 1 0 539.619 3.082 1 0 KGAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1C1CCOCC1)CC2 ZINC000169702257 562868275 /nfs/dbraw/zinc/86/82/75/562868275.db2.gz JRWVBEGAYQEJES-UHFFFAOYSA-N 1 0 531.661 3.446 1 0 KGAFRO O=C1c2cc(CC[NH+]3CCC(Cc4ccc(Br)c(OCCO)c4)CC3)ccc2OC[C@@H]1O ZINC000169703922 562868844 /nfs/dbraw/zinc/86/88/44/562868844.db2.gz ACJLTODAAAIJTN-QFIPXVFZSA-N 1 0 504.421 3.253 1 0 KGAFRO N/C(=C\CC(=[NH2+])N1CCNCC1)c1ccn2c(c1)ncc2-c1cccc(NC(=O)NCC(F)(F)F)c1 ZINC000169704607 562869040 /nfs/dbraw/zinc/86/90/40/562869040.db2.gz TWFICMXFRSHWHP-FQSGDFESSA-N 1 0 500.529 3.257 1 0 KGAFRO O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nccc(N5CC[NH+](CCO)CC5)n4)ccn32)c1 ZINC000169704715 562869147 /nfs/dbraw/zinc/86/91/47/562869147.db2.gz MSEJMQBBJYYONO-UHFFFAOYSA-N 1 0 540.550 3.256 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@H]2O[C@@H](C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 ZINC000169706001 562869810 /nfs/dbraw/zinc/86/98/10/562869810.db2.gz XMTXQDIZYVDCJX-AKFWFYANSA-N 1 0 509.569 3.095 1 0 KGAFRO CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OC[C@H]5[NH2+]CC[C@@H]5O)ccn43)c12 ZINC000169706561 562869895 /nfs/dbraw/zinc/86/98/95/562869895.db2.gz UCDXTHJWKIANGF-BVAGGSTKSA-N 1 0 525.613 3.352 1 0 KGAFRO CCc1nn(Cc2cccc(OCCN3CC[NH2+]CC3)n2)c2cccc(NC(=O)c3cnc4ccccn43)c12 ZINC000169706564 562869854 /nfs/dbraw/zinc/86/98/54/562869854.db2.gz QLLLSYAAVOVZPW-UHFFFAOYSA-N 1 0 524.629 3.226 1 0 KGAFRO Cn1cccc(Cn2nc(C3CC3)c3c2cccc3NC(=O)c2cnc3cc(OCCN4CC[NH+](C)CC4)ccn32)c1=O ZINC000169706568 562869863 /nfs/dbraw/zinc/86/98/63/562869863.db2.gz MXKIRYLRJYOWKO-UHFFFAOYSA-N 1 0 580.693 3.187 1 0 KGAFRO CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncnc3)c3nc(N(C)C4CC[NH2+]CC4)ncc32)c1F ZINC000169709999 562870506 /nfs/dbraw/zinc/87/05/06/562870506.db2.gz IGWKRBJOHCFQRT-UHFFFAOYSA-N 1 0 542.616 3.496 1 0 KGAFRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)c1 ZINC000169710791 562870712 /nfs/dbraw/zinc/87/07/12/562870712.db2.gz AKPAWWJWAAXTNB-DEOSSOPVSA-N 1 0 514.051 3.299 1 0 KGAFRO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)c1 ZINC000169710792 562870723 /nfs/dbraw/zinc/87/07/23/562870723.db2.gz AKPAWWJWAAXTNB-XMMPIXPASA-N 1 0 514.051 3.299 1 0 KGAFRO Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1 ZINC000169710793 562870714 /nfs/dbraw/zinc/87/07/14/562870714.db2.gz JRRUCSDRVUIDSF-DEOSSOPVSA-N 1 0 514.051 3.299 1 0 KGAFRO Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)[NH2+]CC3)cn1 ZINC000169710794 562870748 /nfs/dbraw/zinc/87/07/48/562870748.db2.gz JRRUCSDRVUIDSF-XMMPIXPASA-N 1 0 514.051 3.299 1 0 KGAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)CNC(=O)Cc3cccc(c3)CC(=O)NCc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000169710819 562870746 /nfs/dbraw/zinc/87/07/46/562870746.db2.gz VQUIFQIXWHRTLG-IOLBBIBUSA-N 1 0 813.981 3.076 1 0 KGAFRO NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)CNC(=O)Cc3ccccc3CC(=O)NCc3cccc(c3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1 ZINC000169710820 562870729 /nfs/dbraw/zinc/87/07/29/562870729.db2.gz ZLYCPBBJASZKFG-IOLBBIBUSA-N 1 0 813.981 3.076 1 0 KGAFRO Cc1cc(C[N@@H+]2CC[C@@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccc(Br)cn2)cc1=O ZINC000169711417 562870897 /nfs/dbraw/zinc/87/08/97/562870897.db2.gz YABPJBHUPZDYJA-OAQYLSRUSA-N 1 0 512.404 3.343 1 0 KGAFRO Cc1cc(C[N@@H+]2CCC[C@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O ZINC000169711469 562870878 /nfs/dbraw/zinc/87/08/78/562870878.db2.gz ZAKDVFBDUQBXAD-NRFANRHFSA-N 1 0 527.419 3.128 1 0 KGAFRO Cc1cc(C[N@@H+]2CC[C@@](C)(O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O ZINC000169711470 562870891 /nfs/dbraw/zinc/87/08/91/562870891.db2.gz WCJMNHMPTCQAEU-RUZDIDTESA-N 1 0 527.419 3.128 1 0 KGAFRO Cc1cc(C[N@@H+]2CC[C@](C)(O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O ZINC000169711471 562870914 /nfs/dbraw/zinc/87/09/14/562870914.db2.gz WCJMNHMPTCQAEU-VWLOTQADSA-N 1 0 527.419 3.128 1 0 KGAFRO Cc1cc(C[N@@H+]2CCC[C@@H](O)C2)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O ZINC000169711472 562870887 /nfs/dbraw/zinc/87/08/87/562870887.db2.gz ZAKDVFBDUQBXAD-OAQYLSRUSA-N 1 0 527.419 3.128 1 0 KGAFRO Cc1cc(C[NH+]2CCC(O)CC2)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O ZINC000169711475 562870921 /nfs/dbraw/zinc/87/09/21/562870921.db2.gz VWBYQEBIOQYGPS-UHFFFAOYSA-N 1 0 527.419 3.128 1 0 KGAFRO Cc1cc(C[N@@H+]2CCC[C@H]2CO)ccc1C(=O)Cn1ncc(OCc2ccc(Br)cn2)cc1=O ZINC000169711477 562870872 /nfs/dbraw/zinc/87/08/72/562870872.db2.gz OUZNKFDAVPGINF-NRFANRHFSA-N 1 0 527.419 3.128 1 0 KGAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C[N@@H+]5C[C@H](O)[C@@H](OC)C5)cc4)c3)c(OC)cc21 ZINC000169711500 562870946 /nfs/dbraw/zinc/87/09/46/562870946.db2.gz SKCGYCGRFLIYGK-OZXSUGGESA-N 1 0 545.596 3.469 1 0 KGAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4cnn(C5CC[NH+](C[C@@H](C)O)CC5)c4)c3)c(OC)cc21 ZINC000169711533 562871004 /nfs/dbraw/zinc/87/10/04/562871004.db2.gz LHVWVEZQMUSHBI-GOSISDBHSA-N 1 0 547.616 3.491 1 0 KGAFRO CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4cnn(C5CC[NH+](C[C@H](C)O)CC5)c4)c3)c(OC)cc21 ZINC000169711534 562870999 /nfs/dbraw/zinc/87/09/99/562870999.db2.gz LHVWVEZQMUSHBI-SFHVURJKSA-N 1 0 547.616 3.491 1 0 KGAFRO COC(=O)C[C@H](NC(=O)C[NH2+]C12C[C@@H]3C[C@@H](CC(NC(=O)[C@H](CCCC[NH3+])NC(=O)OCC4c5ccccc5-c5ccccc54)(C3)C1)C2)C(=O)N[C@H](C(=O)OC)C(C)C ZINC000196082462 562872480 /nfs/dbraw/zinc/87/24/80/562872480.db2.gz VOCAMHMGGUIVNV-VNOUJLQISA-N 1 0 816.997 3.182 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@]5(C)C[N@H+](C)C[C@](C)(C4)C5O)cn3)nc2n1C1CCCC1 ZINC000199155364 562872909 /nfs/dbraw/zinc/87/29/09/562872909.db2.gz NOQXAFAVXPNLLW-LHWHBECUSA-N 1 0 560.703 3.162 1 0 KGAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H]([N@@H+]2CC[C@H](F)C2)CC3)c1 ZINC000199681094 562873050 /nfs/dbraw/zinc/87/30/50/562873050.db2.gz UUNADMWTAYBZLA-UCGXPXSYSA-N 1 0 512.651 3.462 1 0 KGAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H]([N@@H+]2CC[C@H](F)C2)CC3)c1 ZINC000199681117 562873036 /nfs/dbraw/zinc/87/30/36/562873036.db2.gz UUNADMWTAYBZLA-HRNNMHKYSA-N 1 0 512.651 3.462 1 0 KGAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(C(F)(F)F)c2)[C@H]([NH3+])CC3)c1 ZINC000199978387 562873227 /nfs/dbraw/zinc/87/32/27/562873227.db2.gz XKYMEOJCQGGMAS-FCHUYYIVSA-N 1 0 508.566 3.396 1 0 KGAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(C(F)(F)F)c2)[C@H]([NH3+])CC3)c1 ZINC000199978414 562873252 /nfs/dbraw/zinc/87/32/52/562873252.db2.gz XKYMEOJCQGGMAS-FGZHOGPDSA-N 1 0 508.566 3.396 1 0 KGAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2cccc(C(F)(F)F)c2)[C@@H]([NH3+])CC3)c1 ZINC000199978442 562873250 /nfs/dbraw/zinc/87/32/50/562873250.db2.gz XKYMEOJCQGGMAS-VXKWHMMOSA-N 1 0 508.566 3.396 1 0 KGAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2cccc(C(F)(F)F)c2)[C@@H]([NH3+])CC3)c1 ZINC000199978471 562873261 /nfs/dbraw/zinc/87/32/61/562873261.db2.gz XKYMEOJCQGGMAS-YADHBBJMSA-N 1 0 508.566 3.396 1 0 KGAFRO COc1ccc2c(c1)c(CC(=O)OCOC(=O)[C@@H]1CCCN1[N+](O)=NOCOC(C)=O)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000200460212 562873350 /nfs/dbraw/zinc/87/33/50/562873350.db2.gz KQNVZHNZRPQESV-VWLOTQADSA-N 1 0 618.019 3.002 1 0 KGAFRO COc1cc(C2=C(c3cn(CCCNC(=O)[C@@H]([NH3+])CC(C)C)c4ccccc34)C(=O)NC2=O)cc(OC)c1OC ZINC000200626296 562873384 /nfs/dbraw/zinc/87/33/84/562873384.db2.gz JZBWCAHLSGAKDG-NRFANRHFSA-N 1 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O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[NH+]([C@@H]2CCCC[C@H]2Cn2cncn2)CC1)[C@H]1Cc2ccccc2CN1 ZINC000201236851 562873476 /nfs/dbraw/zinc/87/34/76/562873476.db2.gz IGHTWKPRGHQWSS-ZJRZZCDQSA-N 1 0 590.172 3.077 1 0 KGAFRO COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1N1CC[C@@H](OC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000201941321 562873554 /nfs/dbraw/zinc/87/35/54/562873554.db2.gz UCKXNQYXYRIIGV-NLFFAJNJSA-N 1 0 537.020 3.314 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CC5(CC4=O)C[C@H]4CC[C@@H](C5)[NH2+]4)cn3)nc2n1[C@H]1CCCOC1 ZINC000203620575 562874018 /nfs/dbraw/zinc/87/40/18/562874018.db2.gz LHEWYMHUYHCYSK-BGMIHZSVSA-N 1 0 544.660 3.261 1 0 KGAFRO Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC[N@H+](CCO)CC6)cc5c4)n3c2)cn1 ZINC000204946513 562874609 /nfs/dbraw/zinc/87/46/09/562874609.db2.gz RECGTOTUFYGHJY-UHFFFAOYSA-N 1 0 500.632 3.334 1 0 KGAFRO NC(=O)n1cc(NC(=O)N2C[C@@](F)(C[NH3+])C[C@H]2C(=O)N[C@H](CF)c2cccc(Br)c2)c2ccccc21 ZINC000205039620 562874845 /nfs/dbraw/zinc/87/48/45/562874845.db2.gz YSNHFFUQNUUDJO-YQOVMPOYSA-N 1 0 563.403 3.431 1 0 KGAFRO NC(=O)n1cc(NC(=O)N2C[C@@](F)(C[NH3+])C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc21 ZINC000205053906 562874890 /nfs/dbraw/zinc/87/48/90/562874890.db2.gz IZDWIHKVUXOBAR-AVRDEDQJSA-N 1 0 522.459 3.379 1 0 KGAFRO C=CC(=O)N1CCC(c2nc(Nc3ccc(N4CCC([NH+]5CCN(C)CC5)CC4)c(C)c3)c(C(N)=O)nc2CC)CC1 ZINC000205341894 562875142 /nfs/dbraw/zinc/87/51/42/562875142.db2.gz OVIJPRKXAGWPIR-UHFFFAOYSA-N 1 0 574.774 3.298 1 0 KGAFRO [NH3+]CCOc1cc(NC(=O)c2cc(OCc3cn(CCC(=O)[O-])nn3)cc(C(=O)Nc3cc(OCC[NH3+])c4ccccc4n3)n2)nc2ccccc21 ZINC000205357235 562875237 /nfs/dbraw/zinc/87/52/37/562875237.db2.gz RJTDQPSVSXRGLT-UHFFFAOYSA-N 1 0 706.720 3.003 1 0 KGAFRO O=c1cc(N2CC[NH+](Cc3ccccc3)CC2)n(Cc2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)c(=O)[nH]1 ZINC000205359356 562875232 /nfs/dbraw/zinc/87/52/32/562875232.db2.gz MSHFACDQLFPWQR-UHFFFAOYSA-N 1 0 583.670 3.223 1 0 KGAFRO CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2O[C@@H](C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 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C[C@H](OC(=O)[C@@H](N)CCCC[NH3+])C(=O)N1CCC(CCn2c(Sc3cc4c(cc3Br)OCO4)nc3c2ncnc3N)CC1 ZINC000205585205 562875580 /nfs/dbraw/zinc/87/55/80/562875580.db2.gz GBLVTSKAHNDHLD-LPHOPBHVSA-N 1 0 677.626 3.068 1 0 KGAFRO CN(CCN1CC[NH+](C)CC1)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1 ZINC000205652239 562875596 /nfs/dbraw/zinc/87/55/96/562875596.db2.gz DTGHBYZDTVLWBK-UHFFFAOYSA-N 1 0 508.030 3.075 1 0 KGAFRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1 ZINC000205652348 562875626 /nfs/dbraw/zinc/87/56/26/562875626.db2.gz ZFVJZPSOVHFXKJ-UHFFFAOYSA-N 1 0 522.057 3.465 1 0 KGAFRO O=c1ccc(-c2cccc(Cl)c2)nn1C[C@@H]1CN(c2ncc(-c3cnn(C4CC[NH2+]CC4)c3)cn2)CCO1 ZINC000205700113 562875703 /nfs/dbraw/zinc/87/57/03/562875703.db2.gz ZNHGQRICZRXNDO-DEOSSOPVSA-N 1 0 533.036 3.047 1 0 KGAFRO O=c1ccc(-c2ccc(F)c(Cl)c2)nn1C[C@@H]1CN(c2ncc(-c3cnn(C4CC[NH2+]CC4)c3)cn2)CCO1 ZINC000205706241 562875701 /nfs/dbraw/zinc/87/57/01/562875701.db2.gz YTJGVIJQWQWUQU-QFIPXVFZSA-N 1 0 551.026 3.186 1 0 KGAFRO CCN(c1cc(-c2ccc(C[NH2+]C[C@H](O)CO)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205714464 562875754 /nfs/dbraw/zinc/87/57/54/562875754.db2.gz PONARLGEYUDIHB-NDEPHWFRSA-N 1 0 576.738 3.345 1 0 KGAFRO CCN(c1cc(-c2ccc(C[NH2+]C[C@@H](O)CO)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1 ZINC000205714494 562875725 /nfs/dbraw/zinc/87/57/25/562875725.db2.gz PONARLGEYUDIHB-MUUNZHRXSA-N 1 0 576.738 3.345 1 0 KGAFRO C[NH+]1CCC(n2cc(-c3cnc(N4CCO[C@H](Cn5nc(-c6ccc(F)c(F)c6)ccc5=O)C4)nc3)cn2)CC1 ZINC000205720474 562875795 /nfs/dbraw/zinc/87/57/95/562875795.db2.gz GAKFGMUGNAXBOI-QHCPKHFHSA-N 1 0 548.598 3.014 1 0 KGAFRO C[NH+]1CCC(n2cc(-c3cnc(N4CCO[C@H](Cn5nc(-c6cc(F)c(F)c(F)c6)ccc5=O)C4)nc3)cn2)CC1 ZINC000205720498 562875790 /nfs/dbraw/zinc/87/57/90/562875790.db2.gz DAMPDFDFNFIDMJ-QFIPXVFZSA-N 1 0 566.588 3.153 1 0 KGAFRO CCOC(=O)[C@@H](CC12CCC([NH2+]Cc3ccc4c(n3)NC(=O)CO4)(CC1)CO2)c1c(F)cnc2ccc(OC)nc21 ZINC000206093385 562876225 /nfs/dbraw/zinc/87/62/25/562876225.db2.gz 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562877066 /nfs/dbraw/zinc/87/70/66/562877066.db2.gz NLPDQBANAXKJTJ-XMMPIXPASA-N 1 0 505.637 3.347 1 0 KGAFRO NS(=O)(=O)c1ccc(OCCC[NH+]2CCC([C@@](O)(c3nccs3)c3cccc(F)c3)CC2)cc1 ZINC000211118018 562877055 /nfs/dbraw/zinc/87/70/55/562877055.db2.gz NLPDQBANAXKJTJ-DEOSSOPVSA-N 1 0 505.637 3.347 1 0 KGAFRO CC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000213166868 562877187 /nfs/dbraw/zinc/87/71/87/562877187.db2.gz GMTPAJDXCPJPRB-RRPNLBNLSA-N 1 0 550.700 3.356 1 0 KGAFRO CC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000213166927 562877190 /nfs/dbraw/zinc/87/71/90/562877190.db2.gz GMTPAJDXCPJPRB-KAYWLYCHSA-N 1 0 550.700 3.356 1 0 KGAFRO CN(C)C(=O)c1cc2cnc(Nc3ccc(N4C[C@H]5C[NH2+]C[C@H]5C4=O)cn3)nc2n1C1CCCCCC1 ZINC000215386734 562877352 /nfs/dbraw/zinc/87/73/52/562877352.db2.gz VLUJHZWOUOZYQQ-WIYYLYMNSA-N 1 0 502.623 3.349 1 0 KGAFRO Cc1cc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)ncc1[C@H](O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 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CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)C1=CN[C@H]4C=CC=C[C@H]14)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000220554651 562878581 /nfs/dbraw/zinc/87/85/81/562878581.db2.gz VXGJXKQHRSPOES-KNDLJQJRSA-N 1 0 541.692 3.331 1 0 KGAFRO CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)C1=CN[C@@H]4C=CC=C[C@H]14)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000220554714 562878590 /nfs/dbraw/zinc/87/85/90/562878590.db2.gz VXGJXKQHRSPOES-YKWWKDDHSA-N 1 0 541.692 3.331 1 0 KGAFRO CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)C1=CN[C@H]4C=CC=C[C@@H]14)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000220554783 562878639 /nfs/dbraw/zinc/87/86/39/562878639.db2.gz VXGJXKQHRSPOES-ISDILZBHSA-N 1 0 541.692 3.331 1 0 KGAFRO CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)C1=CN[C@@H]4C=CC=C[C@@H]14)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000220554854 562878627 /nfs/dbraw/zinc/87/86/27/562878627.db2.gz VXGJXKQHRSPOES-YRJALUKASA-N 1 0 541.692 3.331 1 0 KGAFRO C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CC[NH2+]CC5)cc4OC)nc32)c1 ZINC000220906327 562878656 /nfs/dbraw/zinc/87/86/56/562878656.db2.gz XEGULZUJALTRNC-UHFFFAOYSA-N 1 0 511.586 3.375 1 0 KGAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000221075262 562878785 /nfs/dbraw/zinc/87/87/85/562878785.db2.gz VQEGFXQMFKVRFW-NVHWNKAKSA-N 1 0 536.019 3.228 1 0 KGAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(F)ccc12 ZINC000221075340 562878750 /nfs/dbraw/zinc/87/87/50/562878750.db2.gz IGICLMRIKAFWQP-NVHWNKAKSA-N 1 0 536.019 3.228 1 0 KGAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCCN2CCN(C(=O)CO)CC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000221080293 562878751 /nfs/dbraw/zinc/87/87/51/562878751.db2.gz WMDCDRJSVJIQDI-QQZZJUGLSA-N 1 0 634.580 3.136 1 0 KGAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](Cc2ccccc2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12 ZINC000221083461 562878770 /nfs/dbraw/zinc/87/87/70/562878770.db2.gz OXZIJQNIPHNIKE-VNDJSJTESA-N 1 0 532.056 3.164 1 0 KGAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12 ZINC000221083538 562878769 /nfs/dbraw/zinc/87/87/69/562878769.db2.gz UXIBQHKZOWEBOT-LYAXWJQESA-N 1 0 554.009 3.367 1 0 KGAFRO CC(C)(C)C[C@H]1[NH2+][C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(F)ccc12 ZINC000221084405 562878784 /nfs/dbraw/zinc/87/87/84/562878784.db2.gz YFGYLUBMLUNMRB-NXKDEWIBSA-N 1 0 518.029 3.089 1 0 KGAFRO C[N@@H+]1[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(F)ccc32)[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)NCC[C@H](O)CO ZINC000221085398 562878763 /nfs/dbraw/zinc/87/87/63/562878763.db2.gz UXISGYQRMSDIJD-CPESNJHYSA-N 1 0 532.056 3.431 1 0 KGAFRO CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000221211440 562878866 /nfs/dbraw/zinc/87/88/66/562878866.db2.gz PEWSTJXTXIKSFN-OTIMRQAXSA-N 1 0 585.745 3.480 1 0 KGAFRO CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000221225737 562878885 /nfs/dbraw/zinc/87/88/85/562878885.db2.gz DLJBVTKQMCGQIE-JEUHCOABSA-N 1 0 601.744 3.186 1 0 KGAFRO CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(ccc4O)C[C@H]2[N@@H+](CC2CC2)CC[C@]513 ZINC000221225838 562878871 /nfs/dbraw/zinc/87/88/71/562878871.db2.gz FRKGURURTRVRJE-JMTLYBETSA-N 1 0 551.728 3.284 1 0 KGAFRO CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)[C@H](CC(C)C)NC(C)=O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1CC1CC1)[C@H]2O5 ZINC000221238927 562878876 /nfs/dbraw/zinc/87/88/76/562878876.db2.gz PJVHFMFQJRUDTA-WBCNMZPOSA-N 1 0 551.728 3.284 1 0 KGAFRO CCC[C@@H]1C[C@]2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)C[C@H]([NH2+][C@@H]3CCOC[C@@H]3OC)C[C@@H]2O1 ZINC000221264804 562878951 /nfs/dbraw/zinc/87/89/51/562878951.db2.gz AJCBTVQOEURVOB-XPCFJBRDSA-N 1 0 511.585 3.485 1 0 KGAFRO CCOC(=O)COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000221848831 562879331 /nfs/dbraw/zinc/87/93/31/562879331.db2.gz OVFYQUXTBGMJAZ-UHFFFAOYSA-N 1 0 565.602 3.241 1 0 KGAFRO COc1ccc2ncc(F)c(C[C@](O)(C(F)(F)F)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000221866372 562879319 /nfs/dbraw/zinc/87/93/19/562879319.db2.gz OFTJRQHPTNKRRS-NRUKRLKBSA-N 1 0 577.535 3.211 1 0 KGAFRO COc1ccc2ncc(F)c(C[C@@](O)(C(F)(F)F)C34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000221866437 562879314 /nfs/dbraw/zinc/87/93/14/562879314.db2.gz OFTJRQHPTNKRRS-WNMGUVTHSA-N 1 0 577.535 3.211 1 0 KGAFRO C=CC(=O)Nc1cccc(-n2c(=O)cc(N(C)C)c3cnc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)nc32)c1 ZINC000222977371 562879996 /nfs/dbraw/zinc/87/99/96/562879996.db2.gz ITWMMRVAYBEPLR-UHFFFAOYSA-N 1 0 554.655 3.475 1 0 KGAFRO C=CC(=O)Nc1cccc(-n2c3nc(Nc4ccc(N5CC[NH+](C)CC5)cc4OC)ncc3cc(OC)c2=O)c1 ZINC000223738437 562880186 /nfs/dbraw/zinc/88/01/86/562880186.db2.gz HQIAJAPFPSMNHZ-UHFFFAOYSA-N 1 0 541.612 3.418 1 0 KGAFRO C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000225233181 562880792 /nfs/dbraw/zinc/88/07/92/562880792.db2.gz WUPOJRLONGGROF-QGZVFWFLSA-N 1 0 576.061 3.317 1 0 KGAFRO C[C@H](Cc1ccc2c(c1)O[C@@](C(=O)OC[C@@H]1CCOC1)(C(=O)OC[C@H]1CCOC1)O2)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000253632586 562881987 /nfs/dbraw/zinc/88/19/87/562881987.db2.gz AMOLEAUVLPOKDK-XPBBGHENSA-N 1 0 590.069 3.221 1 0 KGAFRO CCOC(=O)[C@@H](C)OC(=O)[C@]1(C(=O)O[C@@H](C)C(=O)OCC)Oc2ccc(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2O1 ZINC000253632639 562881997 /nfs/dbraw/zinc/88/19/97/562881997.db2.gz CJSNUAXCJPOSFZ-LRGLTSHMSA-N 1 0 622.067 3.051 1 0 KGAFRO COC(=O)N=C(N)c1ccc(CNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)NCCC5CC[NH2+]CC5)CC4)CCC3)CC2)cc1 ZINC000253633461 562882055 /nfs/dbraw/zinc/88/20/55/562882055.db2.gz HGMFIDAVJXUGTM-QRRGNZNSSA-N 1 0 755.918 3.277 1 0 KGAFRO NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)CCCCn5ccnc5)CC4)CCC3)CC2)cc1 ZINC000253633777 562882101 /nfs/dbraw/zinc/88/21/01/562882101.db2.gz IPOXMAWFPOIAPU-RNPORBBMSA-N 1 0 708.865 3.395 1 0 KGAFRO NC(=[NH2+])Nc1ccc(CNC(=O)N2CCN(C(=O)O[C@H]3CCC[C@@H](OC(=O)N4CCN(C(=O)CCCn5ccnc5)CC4)CCC3)CC2)cc1 ZINC000253633960 562882112 /nfs/dbraw/zinc/88/21/12/562882112.db2.gz LFAYUBSWULZFEZ-ISILISOKSA-N 1 0 694.838 3.005 1 0 KGAFRO C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CCN(C(=O)C[NH2+]C)CC1 ZINC000299823669 562883005 /nfs/dbraw/zinc/88/30/05/562883005.db2.gz SIKCGJIZDJHPPU-UHFFFAOYSA-N 1 0 576.061 3.189 1 0 KGAFRO O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@H+]3CC2CC2)[C@H]1O5)c1cc2cc(F)ccc2[nH]1 ZINC000299823972 562883146 /nfs/dbraw/zinc/88/31/46/562883146.db2.gz ADBBOEMTJLDNGP-XSGLBDKUSA-N 1 0 503.574 3.375 1 0 KGAFRO CC(C)(C)c1nc(N2CC[NH+](CCCCNC(=O)c3cn4c(cccc4CO)n3)CC2)cc(C(F)(F)F)n1 ZINC000299828367 562884431 /nfs/dbraw/zinc/88/44/31/562884431.db2.gz JFDSONZAQMFHCW-UHFFFAOYSA-N 1 0 533.599 3.265 1 0 KGAFRO 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526.421 3.312 1 0 KGAFRO O=C1[C@@H](CCO)CC2=C([C@@H]3Oc4c5c(ccc4O)C[C@H]4[N@@H+](CC6CC6)CC[C@]53[C@@]4(O)C2)N1Cc1ccccc1 ZINC000299840454 562888541 /nfs/dbraw/zinc/88/85/41/562888541.db2.gz WWJMVAVKLZNBNB-FAMAGXMUSA-N 1 0 528.649 3.251 1 0 KGAFRO O=C1[C@H](CCO)CC2=C([C@@H]3Oc4c5c(ccc4O)C[C@H]4[N@@H+](CC6CC6)CC[C@]53[C@@]4(O)C2)N1Cc1ccccc1 ZINC000299840455 562888522 /nfs/dbraw/zinc/88/85/22/562888522.db2.gz WWJMVAVKLZNBNB-ILEQVIIVSA-N 1 0 528.649 3.251 1 0 KGAFRO CCc1[nH]c2nc(Sc3ccc4c(c3)nc(C(=O)[O-])nc4N3CC[C@@H]([NH3+])C3)nc(N3CC[C@H]([NH3+])C3)c2c1Cl ZINC000299844826 562889397 /nfs/dbraw/zinc/88/93/97/562889397.db2.gz NKTFEWUSDITPCC-OLZOCXBDSA-N 1 0 554.080 3.041 1 0 KGAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3ccc4c(c3)OC(F)(F)O4)(CC1)CO2 ZINC000299851691 562890796 /nfs/dbraw/zinc/89/07/96/562890796.db2.gz IJXQAKUVHZQLLN-STEQJIOHSA-N 1 0 515.488 3.320 1 0 KGAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3ccc4c(c3Cl)OCCO4)(CC1)CO2 ZINC000299852264 562890914 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ZINC000299854905 562891500 /nfs/dbraw/zinc/89/15/00/562891500.db2.gz AOKZCDRMHWHQCF-RUZDIDTESA-N 1 0 526.641 3.109 1 0 KGAFRO CCCC[C@H](NC(=O)[C@H]1CC[C@@H]2c3[nH]c4ccccc4c3CCN2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000299855876 562891804 /nfs/dbraw/zinc/89/18/04/562891804.db2.gz BUSZPEZABSAFAL-YWNCIPKLSA-N 1 0 696.897 3.460 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)Cc1ccccc1 ZINC000299858613 562892485 /nfs/dbraw/zinc/89/24/85/562892485.db2.gz DXGQBZMYRUPLTA-LLSDXXBKSA-N 1 0 675.830 3.335 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(N)=O)Cc1ccccc1 ZINC000299858615 562892519 /nfs/dbraw/zinc/89/25/19/562892519.db2.gz DXGQBZMYRUPLTA-PXEIHTCKSA-N 1 0 675.830 3.335 1 0 KGAFRO Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)cc1 ZINC000299858915 562892579 /nfs/dbraw/zinc/89/25/79/562892579.db2.gz FDMCELUWEUVTNC-BDYUSTAISA-N 1 0 577.707 3.086 1 0 KGAFRO CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2c3[nH]c4ccccc4c3CCN2C1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H]([NH3+])C[C@H]1C(N)=O ZINC000299859515 562892727 /nfs/dbraw/zinc/89/27/27/562892727.db2.gz IBCSETAMVUUPMW-PVURQLNPSA-N 1 0 772.967 3.109 1 0 KGAFRO CCC[N@H+](CCCNC(=O)COc1ccc(CCNc2nc3nc(-c4ccco4)nn3c(N)n2)cc1)CCc1cccc2c1CC(=O)N2 ZINC000299860332 562892908 /nfs/dbraw/zinc/89/29/08/562892908.db2.gz GMHBQXBXDPKIOX-UHFFFAOYSA-N 1 0 652.760 3.351 1 0 KGAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CN3CC[NH2+]CC3)O5)ccc2OC)c1 ZINC000299861387 562893312 /nfs/dbraw/zinc/89/33/12/562893312.db2.gz LBIBNQBMOBKNRE-AREMUKBSSA-N 1 0 570.602 3.334 1 0 KGAFRO COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CN3CC[NH2+]CC3)O5)ccc2OC)c1 ZINC000299861388 562893292 /nfs/dbraw/zinc/89/32/92/562893292.db2.gz LBIBNQBMOBKNRE-SANMLTNESA-N 1 0 570.602 3.334 1 0 KGAFRO CCOC(=O)c1c(OC)cnc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc21 ZINC000299861733 562893420 /nfs/dbraw/zinc/89/34/20/562893420.db2.gz LXYNMZQDPFEWFU-UHFFFAOYSA-N 1 0 547.612 3.345 1 0 KGAFRO NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)c1 ZINC000299861975 562893458 /nfs/dbraw/zinc/89/34/58/562893458.db2.gz IXLXNDFMSBXQDV-LJAQVGFWSA-N 1 0 598.729 3.067 1 0 KGAFRO CCCC[C@H](NC(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2c3[nH]c4ccccc4c3CCN2C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H]([NH3+])C[C@H]1C(N)=O ZINC000299862270 562893578 /nfs/dbraw/zinc/89/35/78/562893578.db2.gz MWJBXTLFRLDENI-MYLNZVDJSA-N 1 0 794.014 3.451 1 0 KGAFRO CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O ZINC000299862768 562893687 /nfs/dbraw/zinc/89/36/87/562893687.db2.gz NXFNNHLGYYKVIN-DYLMPHRMSA-N 1 0 897.819 3.175 1 0 KGAFRO COc1cc2nccc(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2nc1OC ZINC000299863013 562893750 /nfs/dbraw/zinc/89/37/50/562893750.db2.gz OKIMEEMHLQZYPS-UHFFFAOYSA-N 1 0 505.575 3.177 1 0 KGAFRO Cc1nc(C(=O)N[C@@H](CCCNC2=[NH+]CCCN2)C(=O)N[C@H](CC(=O)N(C)[C@@H](Cc2ccsc2)C(N)=O)CC(C)C)nn1-c1cc(Cl)cc(Cl)c1 ZINC000299863030 562893732 /nfs/dbraw/zinc/89/37/32/562893732.db2.gz KKHQWMNBMNVCPP-MYKRZTLLSA-N 1 0 761.781 3.238 1 0 KGAFRO NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CCCCCNC(=O)[C@H]1CC[C@@H]2c3[nH]c4ccccc4c3CCN2C1 ZINC000299863200 562893805 /nfs/dbraw/zinc/89/38/05/562893805.db2.gz OURUSCSRIFGGEV-QGYMOPKUSA-N 1 0 794.014 3.453 1 0 KGAFRO CC(C)C[C@H](NC(=O)CN1CCC(O)CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN=C1COc1ccc(F)cc1 ZINC000299863342 562893797 /nfs/dbraw/zinc/89/37/97/562893797.db2.gz KZXYTVVPFXXDEN-IMKBVMFZSA-N 1 0 747.913 3.173 1 0 KGAFRO Cc1cn2c(nc3c2c(=O)n(C)c(=O)n3C)n1CCCCC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000299863769 562893913 /nfs/dbraw/zinc/89/39/13/562893913.db2.gz QAJBLBPQVIYECG-UHFFFAOYSA-N 1 0 532.476 3.294 1 0 KGAFRO Cc1cc(S(C)(=O)=O)nc2c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c(F)cnc12 ZINC000299864269 562894081 /nfs/dbraw/zinc/89/40/81/562894081.db2.gz RDBDMDKGHUCBKR-UHFFFAOYSA-N 1 0 555.632 3.011 1 0 KGAFRO COc1cc2ncc(F)c(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2nc1OC ZINC000299864516 562894157 /nfs/dbraw/zinc/89/41/57/562894157.db2.gz RPDKYTLXISFZSC-UHFFFAOYSA-N 1 0 523.565 3.316 1 0 KGAFRO COCCCOc1cc(C(=O)N(C[C@@H]2C[NH2+]C[C@H]2Nc2ccc3c(c2)NCCO3)C(C)C)ccc1OC ZINC000299864827 562894274 /nfs/dbraw/zinc/89/42/74/562894274.db2.gz MYZPRGQYGKXHEE-XUZZJYLKSA-N 1 0 512.651 3.466 1 0 KGAFRO C[N@H+](CCNCc1cn(CCC(=O)Nc2ccccn2)nn1)CCNc1ccnc2cc(Cl)ccc21 ZINC000299864949 562894249 /nfs/dbraw/zinc/89/42/49/562894249.db2.gz SHDHLEBXVAGFCZ-UHFFFAOYSA-N 1 0 508.030 3.037 1 0 KGAFRO COc1cc(C(N)=O)cc(-c2nc3cc(OCC[NH+]4CCCCC4)c(OC)cc3c(N3CCOCC3)n2)c1 ZINC000299864961 562894290 /nfs/dbraw/zinc/89/42/90/562894290.db2.gz SHPFVRHBTNSGJC-UHFFFAOYSA-N 1 0 521.618 3.114 1 0 KGAFRO CN(C)c1cnc2c(c1)ncc(F)c2CCC12CCC([NH2+]Cc3ccc4c(n3)NC(=O)CO4)(CC1)CO2 ZINC000299865743 562894519 /nfs/dbraw/zinc/89/45/19/562894519.db2.gz UJYQLTKLVRBKCM-UHFFFAOYSA-N 1 0 506.582 3.365 1 0 KGAFRO CCCC[C@H](NC(=O)[C@H]1CC[C@@H]2c3[nH]c4ccccc4c3CCN2C1)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000299866103 562894608 /nfs/dbraw/zinc/89/46/08/562894608.db2.gz VGAFJYDHFQEKRB-CNRPLSBTSA-N 1 0 693.840 3.257 1 0 KGAFRO COc1ccc2nc(OC)cc(CCC34CCC([NH2+]Cc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 ZINC000299866493 562894665 /nfs/dbraw/zinc/89/46/65/562894665.db2.gz VXWNCQDVTWJQBA-UHFFFAOYSA-N 1 0 505.575 3.177 1 0 KGAFRO COc1cc2cnc(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@@H+]5CC4CC4)[C@H]3O7)cc2cc1OC ZINC000299866611 562894690 /nfs/dbraw/zinc/89/46/90/562894690.db2.gz PDQAKNFWMDCGQC-MVEZPGGSSA-N 1 0 557.647 3.320 1 0 KGAFRO C[NH+]1CCN(CCOc2cnc(-c3cccc(Cn4nc(-n5ccc6ccc(F)cc65)ccc4=O)c3)nc2)CC1 ZINC000299866742 562894750 /nfs/dbraw/zinc/89/47/50/562894750.db2.gz WOMBPSFJZNDVJJ-UHFFFAOYSA-N 1 0 539.615 3.458 1 0 KGAFRO CN(C)c1ccc2cc(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CC[N@@H+]5CC4CC4)[C@H]3O7)ncc2c1 ZINC000299868468 562895106 /nfs/dbraw/zinc/89/51/06/562895106.db2.gz RKYIVQNLDQEZRZ-VWUFSNCOSA-N 1 0 540.664 3.369 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 ZINC000299870075 562895447 /nfs/dbraw/zinc/89/54/47/562895447.db2.gz VUOGPVAGTAOMCX-LLSDXXBKSA-N 1 0 675.830 3.335 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 ZINC000299870077 562895414 /nfs/dbraw/zinc/89/54/14/562895414.db2.gz VUOGPVAGTAOMCX-PXEIHTCKSA-N 1 0 675.830 3.335 1 0 KGAFRO O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC([NH2+]Cc3cc4c(cc3Cl)OCCO4)(CC1)CO2 ZINC000299870119 562895437 /nfs/dbraw/zinc/89/54/37/562895437.db2.gz VWMYFTURQNFNQO-RCSZBHJWSA-N 1 0 527.980 3.423 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000299872093 562895816 /nfs/dbraw/zinc/89/58/16/562895816.db2.gz ZYJLVFQYADOECE-KMMDHRILSA-N 1 0 700.840 3.426 1 0 KGAFRO Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000299872094 562895833 /nfs/dbraw/zinc/89/58/33/562895833.db2.gz ZYJLVFQYADOECE-ZWYULGIKSA-N 1 0 700.840 3.426 1 0 KGAFRO CCN(CC)[N+](O)=NOCOC(=O)C(=Cc1ccc(S(C)(=O)=O)cc1)c1cccc(Br)c1 ZINC000377799893 562895950 /nfs/dbraw/zinc/89/59/50/562895950.db2.gz YYEKXMKRXUPOCW-DEDYPNTBSA-N 1 0 527.417 3.366 1 0 KGAFRO CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CC[NH+](C)CC4)cc3OC)nc2N1CC(C)C ZINC000473089565 562897417 /nfs/dbraw/zinc/89/74/17/562897417.db2.gz RZFGZSWFNYQBMG-OAQYLSRUSA-N 1 0 509.655 3.270 1 0 KGAFRO CN1CCN(c2cc(Nc3n[nH]c4ccccc43)nc(Oc3cccc(NC(=O)/C=C/C[NH+](C)C)c3)n2)CC1 ZINC000473090691 562897559 /nfs/dbraw/zinc/89/75/59/562897559.db2.gz ADAREYJDNCHIMX-KPKJPENVSA-N 1 0 527.633 3.119 1 0 KGAFRO COc1ccc2ncc(F)c(CCC34CCC([NH2+]Cc5nc6c(cc5OC)OCC(=O)N6)(CC3)CO4)c2n1 ZINC000473090869 562897582 /nfs/dbraw/zinc/89/75/82/562897582.db2.gz PZPYGDHAVJGCFZ-UHFFFAOYSA-N 1 0 523.565 3.316 1 0 KGAFRO CC(C)C[C@H]1NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C(c2ccccc2)c2ccccc2)NC(=O)[C@@H](C(C)C)NC1=O ZINC000473091483 562897690 /nfs/dbraw/zinc/89/76/90/562897690.db2.gz YSVXHIUKDPBLJU-VEISPFHOSA-N 1 0 710.920 3.330 1 0 KGAFRO CC[NH+](CC)[C@H]1CO[C@@H]2OC[C@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(OC)cc3)[C@@H]21 ZINC000473095041 562897851 /nfs/dbraw/zinc/89/78/51/562897851.db2.gz XAEGUOLENLYQPN-RWIUVVJRSA-N 1 0 633.808 3.122 1 0 KGAFRO C=CC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)ncc2OC)c1 ZINC000473095713 562897866 /nfs/dbraw/zinc/89/78/66/562897866.db2.gz XONBNOLYXWAWMY-UHFFFAOYSA-N 1 0 503.607 3.148 1 0 KGAFRO CCc1cc2c(-c3cncc(C)c3)cnc(N[C@@H]3CC[NH2+]C[C@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O ZINC000473096845 562897908 /nfs/dbraw/zinc/89/79/08/562897908.db2.gz BVNZGTMKOFNKBA-DNQXCXABSA-N 1 0 525.675 3.252 1 0 KGAFRO C=CC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3OC)nc3[nH]ccc32)c1 ZINC000473109493 562898469 /nfs/dbraw/zinc/89/84/69/562898469.db2.gz SGUCMEZSHNACAP-UHFFFAOYSA-N 1 0 512.618 3.042 1 0 KGAFRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ncc(Cl)c(NCc2cccc(NC(=O)/C=C/CO)c2)n1 ZINC000473109496 562898492 /nfs/dbraw/zinc/89/84/92/562898492.db2.gz SJMXCTNGSDEJKA-QPJJXVBHSA-N 1 0 538.052 3.155 1 0 KGAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccoc4)cn3C)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000473110044 562898517 /nfs/dbraw/zinc/89/85/17/562898517.db2.gz USKXZUNXPZYVDG-UHFFFAOYSA-N 1 0 519.606 3.148 1 0 KGAFRO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C(=O)C1=O ZINC000473110108 562898536 /nfs/dbraw/zinc/89/85/36/562898536.db2.gz UVUQQKAHEHBGSC-YRCZKMHPSA-N 1 0 687.882 3.463 1 0 KGAFRO Cn1cc(-c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC[NH+](C)C)n(C)c4)n(C)c3)s2)cn1 ZINC000473110542 562898573 /nfs/dbraw/zinc/89/85/73/562898573.db2.gz WWNOUIBBKCOGNE-UHFFFAOYSA-N 1 0 536.662 3.012 1 0 KGAFRO CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCC[N@@H+]1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCC2)C(=O)C1=O ZINC000473110940 562898556 /nfs/dbraw/zinc/89/85/56/562898556.db2.gz YDWPLDCELAEATF-YDPTYEFTSA-N 1 0 673.855 3.073 1 0 KGAFRO CCn1cc([C@@]2(c3nn(CC[NH+](C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c4ccccc4[nH]c32)cn1 ZINC000473130595 562900064 /nfs/dbraw/zinc/90/00/64/562900064.db2.gz LBSICHKGZQMHLT-AYWVHJORSA-N 1 0 582.644 3.199 1 0 KGAFRO CCOP(=O)(OCC)[C@@H]1C[C@@H](C(=O)Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)ON1C ZINC000473133752 562900450 /nfs/dbraw/zinc/90/04/50/562900450.db2.gz DCLGLOOBQZOHBR-LEWJYISDSA-N 1 0 532.534 3.164 1 0 KGAFRO CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cc3cccc4c3c(c2)C(=O)N(CC[NH+](C)C)C4=O)ON1C ZINC000473133753 562900434 /nfs/dbraw/zinc/90/04/34/562900434.db2.gz DCLGLOOBQZOHBR-NHCUHLMSSA-N 1 0 532.534 3.164 1 0 KGAFRO C[C@@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)nc2Nc2cc[nH+]cc2)nc1)C(F)(F)F ZINC000473136342 562901011 /nfs/dbraw/zinc/90/10/11/562901011.db2.gz QBAPAHDQINABPY-JOCHJYFZSA-N 1 0 516.505 3.114 1 0 KGAFRO C[C@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)nc2Nc2cc[nH+]cc2)nc1)C(F)(F)F ZINC000473136343 562901038 /nfs/dbraw/zinc/90/10/38/562901038.db2.gz QBAPAHDQINABPY-QFIPXVFZSA-N 1 0 516.505 3.114 1 0 KGAFRO CNC(=O)COCC(=O)N1CCC(C(=O)N(CCC[NH+]2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(C)c(Cl)c2)CC1 ZINC000473167114 562903048 /nfs/dbraw/zinc/90/30/48/562903048.db2.gz GPJFKKRIOUFCJL-UHFFFAOYSA-N 1 0 640.225 3.426 1 0 KGAFRO Cc1ncc(C[NH2+]C2CCN(CCn3c(=O)ccc4ncc(Oc5ccc(S(N)(=O)=O)cc5)cc43)CC2)cc1Cl ZINC000473170744 562903189 /nfs/dbraw/zinc/90/31/89/562903189.db2.gz REPFMNPRIBONKB-UHFFFAOYSA-N 1 0 583.114 3.447 1 0 KGAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CS2)c1C ZINC000473179250 562903350 /nfs/dbraw/zinc/90/33/50/562903350.db2.gz BIXAMJUQSVEREZ-JLMWRMLUSA-N 1 0 504.595 3.086 1 0 KGAFRO C#[N+]c1c(F)ccc([C@@H]2CN3CCN(C(=O)[C@@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CS2)c1C ZINC000473179263 562903333 /nfs/dbraw/zinc/90/33/33/562903333.db2.gz BIXAMJUQSVEREZ-KPLVRAHFSA-N 1 0 504.595 3.086 1 0 KGAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H]([N@@H+]2CC[C@@H](F)C2)CC3)c1 ZINC000473194891 562903691 /nfs/dbraw/zinc/90/36/91/562903691.db2.gz UUNADMWTAYBZLA-RZFJZAQRSA-N 1 0 512.651 3.462 1 0 KGAFRO Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H]([N@@H+]2CC[C@@H](F)C2)CC3)c1 ZINC000473194894 562903670 /nfs/dbraw/zinc/90/36/70/562903670.db2.gz UUNADMWTAYBZLA-ZSQFBXSQSA-N 1 0 512.651 3.462 1 0 KGAFRO COc1ccc(COc2ccc(Cn3cnc4cc(-n5cc(C(C)(C)[NH3+])nn5)cnc43)cc2OC)cn1 ZINC000473215512 562904138 /nfs/dbraw/zinc/90/41/38/562904138.db2.gz VCLCQJKIOXPDMP-UHFFFAOYSA-N 1 0 500.563 3.245 1 0 KGAFRO CC(C)CNC(=O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccccc2)c1)[C@H](C)O ZINC000473224165 562904166 /nfs/dbraw/zinc/90/41/66/562904166.db2.gz RLSADXVPOTXGOV-CSHHSCGCSA-N 1 0 602.776 3.333 1 0 KGAFRO CC(C)CNC(=O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)[C@@H](C)c2ccccc2)c1)[C@@H](C)O ZINC000473224166 562904180 /nfs/dbraw/zinc/90/41/80/562904180.db2.gz RLSADXVPOTXGOV-IGIHXDAWSA-N 1 0 602.776 3.333 1 0 KGAFRO CC(C)CNC(=O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccccc2)c1)[C@H](C)O ZINC000473224167 562904190 /nfs/dbraw/zinc/90/41/90/562904190.db2.gz RLSADXVPOTXGOV-OGMAUFMHSA-N 1 0 602.776 3.333 1 0 KGAFRO CC(C)CNC(=O)[C@H]([NH2+]C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)N(C)[C@H](C)c2ccccc2)c1)[C@@H](C)O ZINC000473224168 562904170 /nfs/dbraw/zinc/90/41/70/562904170.db2.gz RLSADXVPOTXGOV-WBKKGGTMSA-N 1 0 602.776 3.333 1 0 KGAFRO CC(C)C[N@@H+]1CCN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)C1 ZINC000473233228 562904432 /nfs/dbraw/zinc/90/44/32/562904432.db2.gz NJFKSQQOYRYGKP-JMHOIKKCSA-N 1 0 649.858 3.205 1 0 KGAFRO CC(C)C[N@@H+]1CCN[C@H]([C@H](O)[C@@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)C1 ZINC000473233233 562904441 /nfs/dbraw/zinc/90/44/41/562904441.db2.gz NJFKSQQOYRYGKP-JORJBILDSA-N 1 0 649.858 3.205 1 0 KGAFRO CC(C)C[N@@H+]1CCN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)cc(N(C)S(C)(=O)=O)c2)C1 ZINC000473233235 562904463 /nfs/dbraw/zinc/90/44/63/562904463.db2.gz NJFKSQQOYRYGKP-VDXHMTHHSA-N 1 0 649.858 3.205 1 0 KGAFRO NC(=O)CCC(=O)N(CCCN1CC[NH+](CCCNc2ccnc3cc(Cl)ccc32)CC1)CC1CC1 ZINC000473245023 562904917 /nfs/dbraw/zinc/90/49/17/562904917.db2.gz SIQTYGZTBDOPMI-UHFFFAOYSA-N 1 0 515.102 3.202 1 0 KGAFRO O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@@H]23)N1CCOCC1 ZINC000474609846 562905736 /nfs/dbraw/zinc/90/57/36/562905736.db2.gz WDXMJVPEBNMIHZ-JECRDHHXSA-N 1 0 559.651 3.478 1 0 KGAFRO Cc1cc(S(=O)(=O)NCC[NH+](C)C)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653662290 562905889 /nfs/dbraw/zinc/90/58/89/562905889.db2.gz WCUSMKPGBOFBGV-SFHVURJKSA-N 1 0 524.643 3.290 1 0 KGAFRO COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C[NH3+] ZINC000653691075 562906693 /nfs/dbraw/zinc/90/66/93/562906693.db2.gz LLUWDTYCJUUEHD-RSXGOPAZSA-N 1 0 507.543 3.154 1 0 KGAFRO Cn1cc(-c2ccc(=O)n(Cc3cccc(Nc4ncc(-c5cnn(C6CC[NH+](C)CC6)c5)cn4)c3)n2)cn1 ZINC000653701087 562907479 /nfs/dbraw/zinc/90/74/79/562907479.db2.gz SKYVULSSHXSXRL-UHFFFAOYSA-N 1 0 522.617 3.356 1 0 KGAFRO [NH3+]CCOCCOCCOCCOCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000653704225 562907675 /nfs/dbraw/zinc/90/76/75/562907675.db2.gz UDJCGMDVNWTYJW-HHHXNRCGSA-N 1 0 506.087 3.072 1 0 KGAFRO [NH3+]CCOCCOCCOCCOCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000653704226 562907656 /nfs/dbraw/zinc/90/76/56/562907656.db2.gz UDJCGMDVNWTYJW-MHZLTWQESA-N 1 0 506.087 3.072 1 0 KGAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3F)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653708021 562907953 /nfs/dbraw/zinc/90/79/53/562907953.db2.gz KKYNJIOUBAAALL-GDLZYMKVSA-N 1 0 653.825 3.334 1 0 KGAFRO Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccc(F)cc3S(C)(=O)=O)CC2)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c[nH]nc21 ZINC000653708045 562907959 /nfs/dbraw/zinc/90/79/59/562907959.db2.gz PUDWWLBDGGKILV-MUUNZHRXSA-N 1 0 653.825 3.334 1 0 KGAFRO C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000653716351 562908559 /nfs/dbraw/zinc/90/85/59/562908559.db2.gz NPUZJIOVBIDKGO-FREGXXQWSA-N 1 0 516.617 3.361 1 0 KGAFRO C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000653716352 562908564 /nfs/dbraw/zinc/90/85/64/562908564.db2.gz NPUZJIOVBIDKGO-PDDLMNHVSA-N 1 0 516.617 3.361 1 0 KGAFRO C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000653716353 562908538 /nfs/dbraw/zinc/90/85/38/562908538.db2.gz NPUZJIOVBIDKGO-VIZCGCQYSA-N 1 0 516.617 3.361 1 0 KGAFRO C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000653716354 562908527 /nfs/dbraw/zinc/90/85/27/562908527.db2.gz NPUZJIOVBIDKGO-YZNIXAGQSA-N 1 0 516.617 3.361 1 0 KGAFRO CC(=[NH2+])NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)NCCc1ccccc1)C(C)C ZINC000653721908 562908755 /nfs/dbraw/zinc/90/87/55/562908755.db2.gz DXJANTQAOFGBHB-QUUJSONZSA-N 1 0 666.864 3.430 1 0 KGAFRO Cn1c(SCCC[N@H+]2C[C@H]3[C@@H](CCN3c3c(F)cc(F)cc3F)C2)nnc1-c1ccn(C)c(=O)c1 ZINC000653725075 562909005 /nfs/dbraw/zinc/90/90/05/562909005.db2.gz ZRQADOCXGLFZJC-JXFKEZNVSA-N 1 0 504.582 3.291 1 0 KGAFRO Cn1c(SCCC[N@@H+]2C[C@@H]3CCN(c4c(F)cc(F)cc4F)[C@@H]3C2)nnc1-c1ccn(C)c(=O)c1 ZINC000653725076 562909035 /nfs/dbraw/zinc/90/90/35/562909035.db2.gz ZRQADOCXGLFZJC-OXJNMPFZSA-N 1 0 504.582 3.291 1 0 KGAFRO Cn1c(SCCC[N@@H+]2C[C@H]3CCN(c4c(F)cc(F)cc4F)[C@@H]3C2)nnc1-c1ccn(C)c(=O)c1 ZINC000653725077 562909000 /nfs/dbraw/zinc/90/90/00/562909000.db2.gz ZRQADOCXGLFZJC-OXQOHEQNSA-N 1 0 504.582 3.291 1 0 KGAFRO Cn1c(SCCC[N@@H+]2C[C@H]3CCN(c4c(F)cc(F)cc4F)[C@H]3C2)nnc1-c1ccn(C)c(=O)c1 ZINC000653725078 562909015 /nfs/dbraw/zinc/90/90/15/562909015.db2.gz ZRQADOCXGLFZJC-UZLBHIALSA-N 1 0 504.582 3.291 1 0 KGAFRO CC(=O)N1CC[NH+]([C@H]2C[C@@H](n3cc(-c4cccc(OC[C@@H]5CCCO5)c4F)c4c3ncnc4N)C2)CC1 ZINC000653736015 562909685 /nfs/dbraw/zinc/90/96/85/562909685.db2.gz KJDKBIYPTUYYHT-ZCNNSNEGSA-N 1 0 508.598 3.245 1 0 KGAFRO CC(=O)N1CC[NH+]([C@H]2C[C@@H](n3cc(-c4cc(OC[C@@H]5CCCO5)ccc4F)c4c3ncnc4N)C2)CC1 ZINC000653739302 562910089 /nfs/dbraw/zinc/91/00/89/562910089.db2.gz YXLQJZQRBVGUCM-ZVDOUQERSA-N 1 0 508.598 3.245 1 0 KGAFRO CC(=O)N1CC[NH+]([C@H]2C[C@@H](n3cc(-c4cc(OC[C@H]5CCCO5)ccc4F)c4c3ncnc4N)C2)CC1 ZINC000653740775 562910198 /nfs/dbraw/zinc/91/01/98/562910198.db2.gz YXLQJZQRBVGUCM-SVFBPWRDSA-N 1 0 508.598 3.245 1 0 KGAFRO CC(=O)N1CC[NH+]([C@H]2C[C@H](n3cc(-c4cc(OC[C@@H]5CCCO5)ccc4F)c4c3ncnc4N)C2)CC1 ZINC000653740777 562910193 /nfs/dbraw/zinc/91/01/93/562910193.db2.gz YXLQJZQRBVGUCM-ZJOUEHCJSA-N 1 0 508.598 3.245 1 0 KGAFRO CN(CC(N)=O)c1nc2scc(-c3ccccc3)c2c(N2CCC(C[N@H+](C)[C@H]3CCN(C)C3)CC2)n1 ZINC000653754877 562910875 /nfs/dbraw/zinc/91/08/75/562910875.db2.gz DNCYBALWUCZKJU-NRFANRHFSA-N 1 0 507.708 3.132 1 0 KGAFRO CN(CC(N)=O)c1nc2scc(-c3ccccc3)c2c(N2CCC(C[N@H+](C)[C@@H]3CCN(C)C3)CC2)n1 ZINC000653754878 562910853 /nfs/dbraw/zinc/91/08/53/562910853.db2.gz DNCYBALWUCZKJU-OAQYLSRUSA-N 1 0 507.708 3.132 1 0 KGAFRO C[NH2+]CC(=O)N(CCn1cc(CCCCCCCC(=O)NCCc2cccnc2)nn1)Cc1ccccc1 ZINC000653767652 562911701 /nfs/dbraw/zinc/91/17/01/562911701.db2.gz SZAJNKQZXYLVCD-UHFFFAOYSA-N 1 0 519.694 3.163 1 0 KGAFRO CN(C)CC[N@H+](C)CC1CCN(c2nc(N3CC[C@@H](C(N)=O)C3)nc3scc(-c4ccccc4)c32)CC1 ZINC000653768314 562911735 /nfs/dbraw/zinc/91/17/35/562911735.db2.gz FTVLWTPTZVOACU-JOCHJYFZSA-N 1 0 521.735 3.380 1 0 KGAFRO COC1C[C@H]2CC[C@@H](C1)N2c1nc(N2CCN[C@@H](C(N)=O)C2)nc2scc(-c3ccccc3Cl)c21 ZINC000653778090 562911960 /nfs/dbraw/zinc/91/19/60/562911960.db2.gz VONJJJKKPQOLJB-VTFKFGBRSA-N 1 0 513.067 3.421 1 0 KGAFRO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CC4(C3)C[NH2+][C@@H](C(=O)[O-])C4)nc(N)n2)C(F)(F)F)n1 ZINC000653802190 562913480 /nfs/dbraw/zinc/91/34/80/562913480.db2.gz HUBVBMJVJWLCRM-DNVCBOLYSA-N 1 0 537.930 3.142 1 0 KGAFRO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CC4(C3)C[NH2+][C@H](C(=O)[O-])C4)nc(N)n2)C(F)(F)F)n1 ZINC000653802191 562913467 /nfs/dbraw/zinc/91/34/67/562913467.db2.gz HUBVBMJVJWLCRM-HNAYVOBHSA-N 1 0 537.930 3.142 1 0 KGAFRO CCCn1c2nc3n(c2c(=O)n(CCC)c1=O)CCCN3CCc1ccc(OCC[NH+](CC)CC)cc1 ZINC000653822613 562914133 /nfs/dbraw/zinc/91/41/33/562914133.db2.gz BOIXVSBQJYQUBQ-UHFFFAOYSA-N 1 0 510.683 3.353 1 0 KGAFRO CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000653830073 562914486 /nfs/dbraw/zinc/91/44/86/562914486.db2.gz ANOXHQKPLBUHGB-ATIYNZHBSA-N 1 0 544.693 3.071 1 0 KGAFRO CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC([NH2+]Cc2nc3ccccc3[nH]2)CC1 ZINC000653830116 562914552 /nfs/dbraw/zinc/91/45/52/562914552.db2.gz KWYQNXGTJIRKHC-QFQXNSOFSA-N 1 0 540.709 3.219 1 0 KGAFRO CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000653830169 562914553 /nfs/dbraw/zinc/91/45/53/562914553.db2.gz VYGDVMFFLIASKU-ILBGXUMGSA-N 1 0 500.684 3.342 1 0 KGAFRO C[C@@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)[NH2+]CCOc1ccc(F)cc1OCC(F)(F)F ZINC000653833203 562914574 /nfs/dbraw/zinc/91/45/74/562914574.db2.gz BRSPJIFNHOLFQU-INIZCTEOSA-N 1 0 513.532 3.210 1 0 KGAFRO C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)[NH2+]CCOc1ccc(F)cc1OCC(F)(F)F ZINC000653833204 562914585 /nfs/dbraw/zinc/91/45/85/562914585.db2.gz BRSPJIFNHOLFQU-MRXNPFEDSA-N 1 0 513.532 3.210 1 0 KGAFRO COc1cc(Br)ccc1OCC[NH2+][C@@H](C)Cc1cc2ccn(CCCO)c2c(C(N)=O)c1 ZINC000653833262 562914602 /nfs/dbraw/zinc/91/46/02/562914602.db2.gz SFTUKEODVLRSBF-INIZCTEOSA-N 1 0 504.425 3.493 1 0 KGAFRO [NH2+]=C(NCc1cc(-c2nccs2)ccc1N1CCCCC1)NC(=O)c1ccc(C[C@H]([NH3+])C(=O)[O-])cc1 ZINC000653841653 562914872 /nfs/dbraw/zinc/91/48/72/562914872.db2.gz MGSDXKPTVNLQBE-NRFANRHFSA-N 1 0 506.632 3.209 1 0 KGAFRO C[NH+](C)C1(C(=O)Nc2cccc(CN3CCOCC3)c2)CCN(c2ncnc3[nH]c4c(c32)CCCC4)CC1 ZINC000653841684 562914886 /nfs/dbraw/zinc/91/48/86/562914886.db2.gz XEVVSMANPWGFNP-UHFFFAOYSA-N 1 0 517.678 3.208 1 0 KGAFRO C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2ncnc3c2cc(C(=O)NCC[NH+]2CCCC2)n3C)cc1 ZINC000653844202 562915063 /nfs/dbraw/zinc/91/50/63/562915063.db2.gz AQUDCYSUIIFMRC-SFHVURJKSA-N 1 0 535.649 3.313 1 0 KGAFRO CCc1cc(-c2noc(-c3ccc(C)c(C[NH2+]CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653844303 562915053 /nfs/dbraw/zinc/91/50/53/562915053.db2.gz MACGAUUTJVFDLK-DEOSSOPVSA-N 1 0 510.635 3.177 1 0 KGAFRO CO[C@]12C=C[C@@]3([C@@H]4C(=O)N(CCCCCCNC(=O)OC(C)(C)C)C(=O)[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1C)[C@H]2O5 ZINC000653845352 562915131 /nfs/dbraw/zinc/91/51/31/562915131.db2.gz WXDLWTYKSQMFDU-HCKJFIJVSA-N 1 0 593.721 3.293 1 0 KGAFRO CCc1cc(-c2noc(-c3cc(C)cc(C[NH2+]CC(C)C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653849008 562915356 /nfs/dbraw/zinc/91/53/56/562915356.db2.gz WTESIFZTTWKDGK-DEOSSOPVSA-N 1 0 510.635 3.177 1 0 KGAFRO COC(=O)Cc1cccc(NC(=O)C2([NH+](C)C)CCN(c3ncnc4[nH]c5c(c43)CC(F)(F)CC5)CC2)c1 ZINC000653849263 562915415 /nfs/dbraw/zinc/91/54/15/562915415.db2.gz DTVFQHOXYKFHFO-UHFFFAOYSA-N 1 0 526.588 3.337 1 0 KGAFRO CCc1cc(-c2noc(-c3ccc(C[NH+]4CCCC4)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653849271 562915384 /nfs/dbraw/zinc/91/53/84/562915384.db2.gz HGTFZRJUXYDGSH-DEOSSOPVSA-N 1 0 508.619 3.027 1 0 KGAFRO CCc1cc(-c2noc(-c3ccc(C[NH2+]CC(C)C)c(C)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO ZINC000653850215 562915480 /nfs/dbraw/zinc/91/54/80/562915480.db2.gz ZAKRHSQJOQHRET-DEOSSOPVSA-N 1 0 510.635 3.177 1 0 KGAFRO CN(C)C(=O)Oc1cccc(NC(=O)C2([NH+](C)C)CCN(c3ncnc4[nH]c5c(c43)CCCC5)CC2)c1 ZINC000653850677 562915503 /nfs/dbraw/zinc/91/55/03/562915503.db2.gz IIALFTYNTCYIML-UHFFFAOYSA-N 1 0 505.623 3.436 1 0 KGAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc4ccccc4cn3)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000653851616 562915568 /nfs/dbraw/zinc/91/55/68/562915568.db2.gz DYXKDYUSRCVNOZ-UHFFFAOYSA-N 1 0 501.591 3.098 1 0 KGAFRO CCC[N@H+](C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccc1C ZINC000653853292 562915660 /nfs/dbraw/zinc/91/56/60/562915660.db2.gz LNJKECQOPZXNIY-DEOSSOPVSA-N 1 0 510.635 3.273 1 0 KGAFRO C[NH+]1CCN(c2ccc(-c3cnn(CCN4CCOCC4)c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1 ZINC000653853407 562915654 /nfs/dbraw/zinc/91/56/54/562915654.db2.gz YKVQAEICJDUVNC-UHFFFAOYSA-N 1 0 559.593 3.006 1 0 KGAFRO CCCC[N@H+](C)Cc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C)n1 ZINC000653857019 562915768 /nfs/dbraw/zinc/91/57/68/562915768.db2.gz LUBIYCVWHMWRDG-DEOSSOPVSA-N 1 0 525.650 3.058 1 0 KGAFRO CC(C)Cc1nn(C)c(=O)c2c1cn(Cc1cnc(NCCCCCNC(=O)[C@@H]([NH3+])CCC(N)=O)c3ccccc13)c2SCCCO ZINC000653858654 562915857 /nfs/dbraw/zinc/91/58/57/562915857.db2.gz ONZMDLHROVHQSG-MHZLTWQESA-N 1 0 664.877 3.296 1 0 KGAFRO CC(C)Cc1nn(C)c(=O)c2c1cn(Cc1cc(NCCCCCNC(=O)[C@@H]([NH3+])CCC(N)=O)nc3ccccc13)c2SCCCO ZINC000653858718 562915909 /nfs/dbraw/zinc/91/59/09/562915909.db2.gz SKBGVOMIPKVMCM-SANMLTNESA-N 1 0 664.877 3.296 1 0 KGAFRO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cnc5ccccc5n4)cn3C)cn2C)cc1C(=O)NCCC[NH+](C)C ZINC000653859721 562915949 /nfs/dbraw/zinc/91/59/49/562915949.db2.gz ZVWGURIXUKCECV-UHFFFAOYSA-N 1 0 624.706 3.084 1 0 KGAFRO COc1ccc2cc3[n+](cc2c1OC(=O)N1CCN(c2ncccn2)CC1)CCc1cc2c(cc1-3)OCO2 ZINC000653861800 562916043 /nfs/dbraw/zinc/91/60/43/562916043.db2.gz OBTKQNCDZNWQAC-UHFFFAOYSA-N 1 0 512.546 3.199 1 0 KGAFRO CCOC(=O)N1CCN(C(=O)Oc2c(OC)ccc3cc4[n+](cc32)CCc2cc3c(cc2-4)OCO3)CC1 ZINC000653861816 562916042 /nfs/dbraw/zinc/91/60/42/562916042.db2.gz QBTGXJUPGWUIFV-UHFFFAOYSA-N 1 0 506.535 3.361 1 0 KGAFRO COc1ccc(/C=C/c2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])n(C)c4)n(C)c3)cn2)cc1 ZINC000653861901 562916059 /nfs/dbraw/zinc/91/60/59/562916059.db2.gz YXHYDOJGRZNJDY-XBXARRHUSA-N 1 0 568.638 3.498 1 0 KGAFRO COc1cc(-c2nn(CCN3CCC([NH+](C)C)CC3)c3ncnc(N)c23)ccc1NCc1ccccn1 ZINC000653870667 562916389 /nfs/dbraw/zinc/91/63/89/562916389.db2.gz BXPWHEJPEYVOQE-UHFFFAOYSA-N 1 0 501.639 3.117 1 0 KGAFRO COc1cc(-c2nn(CCN3CCC([NH+](C)C)CC3)c3ncnc(N)c23)ccc1NCc1cccnc1 ZINC000653870769 562916411 /nfs/dbraw/zinc/91/64/11/562916411.db2.gz VOYKXWNIXXREEX-UHFFFAOYSA-N 1 0 501.639 3.117 1 0 KGAFRO COc1ccc(-c2nn(CCN3CCC([NH+](C)C)CC3)c3ncnc(N)c23)cc1NC(=O)OC(C)(C)C ZINC000653872968 562916480 /nfs/dbraw/zinc/91/64/80/562916480.db2.gz GCSKVSGYMIZPGK-UHFFFAOYSA-N 1 0 510.643 3.457 1 0 KGAFRO COc1cc(-c2nn(CCN3CCC([NH+](C)C)CC3)c3ncnc(N)c23)ccc1NC(=O)NC(C)(C)C ZINC000653887090 562917034 /nfs/dbraw/zinc/91/70/34/562917034.db2.gz KZRDVFBPXXGSPD-UHFFFAOYSA-N 1 0 509.659 3.030 1 0 KGAFRO COc1cc(-c2nn(CCN3CCC([NH+](C)C)CC3)c3ncnc(N)c23)ccc1NC(=O)CC(C)(C)C ZINC000653887140 562917042 /nfs/dbraw/zinc/91/70/42/562917042.db2.gz QUFURWJAQILIFO-UHFFFAOYSA-N 1 0 508.671 3.485 1 0 KGAFRO COc1cc(-c2nn(CCN3CCC[C@@H]([NH+](C)C)C3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C ZINC000653891125 562917198 /nfs/dbraw/zinc/91/71/98/562917198.db2.gz GPEVIRCIUJSMHZ-GOSISDBHSA-N 1 0 510.643 3.457 1 0 KGAFRO COc1cc(-c2nn(CCN3CCC[C@H]([NH+](C)C)C3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C ZINC000653891126 562917239 /nfs/dbraw/zinc/91/72/39/562917239.db2.gz GPEVIRCIUJSMHZ-SFHVURJKSA-N 1 0 510.643 3.457 1 0 KGAFRO O=C(Nc1cc2c(cc1OCCCN1CCOCC1)ncnc2Nc1ccc(F)c(Cl)c1)[C@@H]1COC(=O)N1 ZINC000653894990 562917309 /nfs/dbraw/zinc/91/73/09/562917309.db2.gz BFRZHSWXTMOYRY-NRFANRHFSA-N 1 0 544.971 3.314 1 0 KGAFRO C=CC(=O)Nc1cccc(-n2c3ccccc3nc2-c2nc(-c3cnn(CCN4CC[NH+](C)CC4)c3)cnc2N)c1 ZINC000653897421 562917406 /nfs/dbraw/zinc/91/74/06/562917406.db2.gz LJPDEFDDANVUMG-UHFFFAOYSA-N 1 0 548.655 3.300 1 0 KGAFRO COc1cccc(C(=[NH2+])Nc2ccc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCN5CCOCC5)n(C)c4)n(C)c3)cc2)c1 ZINC000653897448 562917424 /nfs/dbraw/zinc/91/74/24/562917424.db2.gz QXHMKYGULXUDGP-UHFFFAOYSA-N 1 0 626.718 3.376 1 0 KGAFRO C[N@@H+]1CC[C@H](Oc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000653903353 562917590 /nfs/dbraw/zinc/91/75/90/562917590.db2.gz QAJUQGCMSNWQCU-DJJJIMSYSA-N 1 0 500.918 3.296 1 0 KGAFRO O=C(Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O)NCCC[NH+]1CCCCCC1 ZINC000004791008 561695303 /nfs/dbraw/zinc/69/53/03/561695303.db2.gz PSUISEZGMOYQHG-UHFFFAOYSA-N 1 0 583.730 3.034 3 0 KGAFRO COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)c(=O)c2cc1OC ZINC000004792650 561695479 /nfs/dbraw/zinc/69/54/79/561695479.db2.gz SEDGWXNYPWSNGT-UHFFFAOYSA-N 1 0 528.609 3.150 3 0 KGAFRO CC[NH+](CC)CCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@H](C(=O)NC(C)(C)C)c1cccs1 ZINC000006511807 561702813 /nfs/dbraw/zinc/70/28/13/561702813.db2.gz RGCUORFGFABYSJ-NRFANRHFSA-N 1 0 501.657 3.129 3 0 KGAFRO CC[NH+](CC)CCN(C(=O)Cn1nnc(-c2ccc(C)o2)n1)[C@@H](C(=O)NC(C)(C)C)c1cccs1 ZINC000006511840 561702783 /nfs/dbraw/zinc/70/27/83/561702783.db2.gz RGCUORFGFABYSJ-OAQYLSRUSA-N 1 0 501.657 3.129 3 0 KGAFRO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccc(-c3ccc4c(c3)OCO4)c(OC)c1)[N@@H+]1CCCC[C@@]21C(=O)OC ZINC000036386514 562060129 /nfs/dbraw/zinc/06/01/29/562060129.db2.gz HZLQJWRPZCRAAA-UKWMHNODSA-N 1 0 506.555 3.164 3 0 KGAFRO Cc1cc(C)c(C[NH+]2CCN(C(=O)Cn3ccc(NC(=O)OCc4ccccc4)nc3=O)CC2)c(C)c1 ZINC000036389472 562060570 /nfs/dbraw/zinc/06/05/70/562060570.db2.gz UTVFGNVHJRURPS-UHFFFAOYSA-N 1 0 503.603 3.262 3 0 KGAFRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(Cl)nc3ccccc32)CC1 ZINC000038140480 562062931 /nfs/dbraw/zinc/06/29/31/562062931.db2.gz DRXBAEQQCCDGLB-UHFFFAOYSA-N 1 0 544.077 3.303 3 0 KGAFRO CC(=O)Nc1cc(-c2cccc(C(=O)NCC[NH+](C)C)c2)cn2c(-c3ccc(S(C)(=O)=O)cc3)cnc12 ZINC000061896368 562702937 /nfs/dbraw/zinc/70/29/37/562702937.db2.gz BAFARAAPUPACIE-UHFFFAOYSA-N 1 0 519.627 3.322 3 0 KGAFRO CCc1nc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cn2c1N(C)CCN1CCOCC1 ZINC000061904583 562703054 /nfs/dbraw/zinc/70/30/54/562703054.db2.gz IABJGIDSEREIEP-UHFFFAOYSA-N 1 0 504.679 3.060 3 0 KGAFRO COc1ccc(CN2CCC[C@]3([NH2+][C@H](c4ccc(C(F)(F)F)cc4)[C@@H]4C(=O)N(C)C(=O)[C@@H]43)C2=O)cc1 ZINC000061921197 562703171 /nfs/dbraw/zinc/70/31/71/562703171.db2.gz UNFJMJPZNBGQMN-QTDDQOEGSA-N 1 0 501.505 3.151 3 0 KGAFRO COc1ccc([C@H]2[NH2+][C@]3(CCCN(Cc4ccc(C(F)(F)F)cc4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921215 562703152 /nfs/dbraw/zinc/70/31/52/562703152.db2.gz INWZTHJSHCUBJK-QTDDQOEGSA-N 1 0 501.505 3.151 3 0 KGAFRO C[C@@H](CO)N1C[C@H](C)[C@H](C[N@H+](C)Cc2ccc(F)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000061921735 562703256 /nfs/dbraw/zinc/70/32/56/562703256.db2.gz BBSHTVGQMQYTBB-QYWGDWMGSA-N 1 0 515.445 3.489 3 0 KGAFRO C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2cccc(F)c2)Oc2cc(Br)ccc2S1(=O)=O ZINC000061922028 562703285 /nfs/dbraw/zinc/70/32/85/562703285.db2.gz XKQPQQIDJYHFHG-CKJXQJPGSA-N 1 0 515.445 3.489 3 0 KGAFRO Cc1cn([C@H]2C[C@H](O)[C@@H](C[NH2+]Cc3cc(Cl)ccc3OCc3ccc(Cl)cc3)O2)c(=O)[nH]c1=O ZINC000061922295 562703362 /nfs/dbraw/zinc/70/33/62/562703362.db2.gz XCTNLOPJTZYMKH-KSEOMHKRSA-N 1 0 506.386 3.169 3 0 KGAFRO COc1ncnc2c1ncn2CCC[NH+](CCCc1ccccc1)CCCn1cnc2c1ncnc2OC ZINC000061922645 562703397 /nfs/dbraw/zinc/70/33/97/562703397.db2.gz IVXTZXAHMAFGAS-UHFFFAOYSA-N 1 0 515.622 3.398 3 0 KGAFRO CCc1nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(CC[NH+](C)C)CC1CC1 ZINC000061925773 562703600 /nfs/dbraw/zinc/70/36/00/562703600.db2.gz UOIMNOHXXMTZSC-UHFFFAOYSA-N 1 0 506.651 3.394 3 0 KGAFRO CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCC[NH+](C)C)C(=O)N2CCc3c4cc(Cl)ccc4[nH]c3[C@]12C ZINC000061945042 562703847 /nfs/dbraw/zinc/70/38/47/562703847.db2.gz NICKMDJSSVQJOA-RENKFEOJSA-N 1 0 530.113 3.384 3 0 KGAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2c(NC(=O)C3CC3)cccc2C1=O ZINC000061947723 562704104 /nfs/dbraw/zinc/70/41/04/562704104.db2.gz AIXLPKOKBZXXLV-YYULODDRSA-N 1 0 509.603 3.116 3 0 KGAFRO COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](C[N@H+](C)CC2CC2)O3)cc1 ZINC000061947729 562704079 /nfs/dbraw/zinc/70/40/79/562704079.db2.gz NQSPYJKPVOPOOO-DGUDUIIESA-N 1 0 531.675 3.058 3 0 KGAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccncc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000061947752 562704123 /nfs/dbraw/zinc/70/41/23/562704123.db2.gz AGORTOPMOHYRAG-WZOHSFFVSA-N 1 0 503.603 3.081 3 0 KGAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)N(Cc1ccccc1)CCC(=O)N2C ZINC000061959159 562704322 /nfs/dbraw/zinc/70/43/22/562704322.db2.gz ZMQXLAPSJVDSRK-UHFFFAOYSA-N 1 0 529.645 3.426 3 0 KGAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc(NC(=O)Cn3cnnn3)cc2C1=O ZINC000066138353 562713307 /nfs/dbraw/zinc/71/33/07/562713307.db2.gz CRZXXDMUCPCWOP-DDFCPOBKSA-N 1 0 583.693 3.331 3 0 KGAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc(NC(=O)Cn3cnnn3)cc2C1=O ZINC000066138617 562713316 /nfs/dbraw/zinc/71/33/16/562713316.db2.gz XVYOOKZSJKWNFH-DDFCPOBKSA-N 1 0 599.692 3.456 3 0 KGAFRO CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000066139599 562713506 /nfs/dbraw/zinc/71/35/06/562713506.db2.gz ZZGLRZBDFRDDGL-ZEQRLZLVSA-N 1 0 577.682 3.063 3 0 KGAFRO COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc2c(n1)N(CCc1ccccc1)CCC(=O)N2C ZINC000066156443 562713761 /nfs/dbraw/zinc/71/37/61/562713761.db2.gz KIBCRDRZLAOAAV-UHFFFAOYSA-N 1 0 543.672 3.468 3 0 KGAFRO COC(=O)C1=C(C(=O)OC)[C@]2([C@H]3CCCC[NH2+][C@@H](Cc4ccccc4)C(=O)N3Cc3ccccc3)C=C[C@H]1O2 ZINC000066166485 562714101 /nfs/dbraw/zinc/71/41/01/562714101.db2.gz SPKGUYKGIVOVAX-DTTPJGKXSA-N 1 0 530.621 3.119 3 0 KGAFRO CCCCCC[NH+]1CCN([C@@H]2CN(Cc3cn(Cc4ccc(C(F)(F)F)cc4)nn3)S(=O)(=O)C2)CC1 ZINC000072104379 562720463 /nfs/dbraw/zinc/72/04/63/562720463.db2.gz UTRMJYBJCOHCCB-HSZRJFAPSA-N 1 0 528.645 3.057 3 0 KGAFRO CCCCCC[NH+]1CCN([C@H]2CN(Cc3cn(Cc4ccc(C(F)(F)F)cc4)nn3)S(=O)(=O)C2)CC1 ZINC000072104380 562720477 /nfs/dbraw/zinc/72/04/77/562720477.db2.gz UTRMJYBJCOHCCB-QHCPKHFHSA-N 1 0 528.645 3.057 3 0 KGAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2cc(Br)ccc2S1(=O)=O ZINC000072104843 562720652 /nfs/dbraw/zinc/72/06/52/562720652.db2.gz WSJCKGXDVCNJDF-WJONJSRFSA-N 1 0 541.464 3.078 3 0 KGAFRO C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccncc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O ZINC000072136157 562727773 /nfs/dbraw/zinc/72/77/73/562727773.db2.gz ALGTYRAGJZQKOC-WENCSYSZSA-N 1 0 552.697 3.163 3 0 KGAFRO CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000082170868 562741532 /nfs/dbraw/zinc/74/15/32/562741532.db2.gz SRBBMXZESRWFPS-SAYGYDPZSA-N 1 0 651.208 3.483 3 0 KGAFRO CCN1C(=O)[C@H]2[C@@H](c3ccc(OC)cc3)[NH2+][C@]3(CCCN(Cc4ccc(Br)cc4)C3=O)[C@H]2C1=O ZINC000095565640 562764637 /nfs/dbraw/zinc/76/46/37/562764637.db2.gz KEIOJBIIAABETQ-PIXQIBFHSA-N 1 0 526.431 3.285 3 0 KGAFRO C[NH+](C)CCNC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)c1 ZINC000095568010 562766236 /nfs/dbraw/zinc/76/62/36/562766236.db2.gz UGLMBUHVXGSGAG-UHFFFAOYSA-N 1 0 540.624 3.000 3 0 KGAFRO CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)C[N@@H+]2CCC[C@H]2CN2C(=O)C(=O)NC[C@@H]2Cc2ccc(O)cc2)C(=O)C(=O)N1CCc1ccccc1 ZINC000095568673 562766792 /nfs/dbraw/zinc/76/67/92/562766792.db2.gz BXNOXEQEBCEHFT-BBACVFHCSA-N 1 0 709.888 3.371 3 0 KGAFRO COC(=O)C1=C(C(=O)OC)[C@]2([C@@H]3CCCC[NH2+][C@@H](Cc4ccccc4)C(=O)N3Cc3ccccc3)C=C[C@H]1O2 ZINC000095570809 562768487 /nfs/dbraw/zinc/76/84/87/562768487.db2.gz SPKGUYKGIVOVAX-TXHDDHBJSA-N 1 0 530.621 3.119 3 0 KGAFRO C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CCCCC2)Oc2ccc(NC(=O)CCN3CCOCC3)cc2C1=O ZINC000095571035 562768720 /nfs/dbraw/zinc/76/87/20/562768720.db2.gz ICTRKSOOJQUIHO-SXDGJLEOSA-N 1 0 544.737 3.080 3 0 KGAFRO C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(C)(=O)=O)cc2C1=O ZINC000095599561 562778148 /nfs/dbraw/zinc/77/81/48/562778148.db2.gz CDDVQLFIGWDKFX-SAHWJRBASA-N 1 0 543.608 3.429 3 0 KGAFRO CCCCCC[NH+]1CCN([C@@H]2CN(Cc3cn(Cc4cccc(C(F)(F)F)c4)nn3)S(=O)(=O)C2)CC1 ZINC000095599773 562778340 /nfs/dbraw/zinc/77/83/40/562778340.db2.gz RJBPPZIXJKVFKC-HSZRJFAPSA-N 1 0 528.645 3.057 3 0 KGAFRO CCCCCC[NH+]1CCN([C@H]2CN(Cc3cn(Cc4cccc(C(F)(F)F)c4)nn3)S(=O)(=O)C2)CC1 ZINC000095599774 562778335 /nfs/dbraw/zinc/77/83/35/562778335.db2.gz RJBPPZIXJKVFKC-QHCPKHFHSA-N 1 0 528.645 3.057 3 0 KGAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C(=O)C1=O ZINC000095600096 562778628 /nfs/dbraw/zinc/77/86/28/562778628.db2.gz HYMXCBLZZXULJR-YRCZKMHPSA-N 1 0 659.872 3.469 3 0 KGAFRO CC(C)C[C@@H](C[N@@H+]1CCC[C@H]1CN1C(=O)C(=O)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C(=O)C1=O ZINC000169304046 562853281 /nfs/dbraw/zinc/85/32/81/562853281.db2.gz WXOXEKWPXBNBFL-BBACVFHCSA-N 1 0 709.888 3.371 3 0 KGAFRO O=C1NC[C@H](Cc2ccc(O)cc2)N(C[C@H]2CCC[N@H+]2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C(=O)C2=O)C1=O ZINC000169305488 562853442 /nfs/dbraw/zinc/85/34/42/562853442.db2.gz COCZMZMMUQRZIB-HQPLKVBUSA-N 1 0 759.904 3.273 3 0 KGAFRO CC[NH+](CC)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253621042 562881942 /nfs/dbraw/zinc/88/19/42/562881942.db2.gz UIMNSFHMDZUYPC-AFRDOISBSA-N 1 0 573.532 3.329 3 0 KGAFRO CC[NH+](CC)CCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000253621043 562881946 /nfs/dbraw/zinc/88/19/46/562881946.db2.gz UIMNSFHMDZUYPC-HOZMCVABSA-N 1 0 573.532 3.329 3 0 KGAFRO CC[NH+](CC)CCN1C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253621044 562881937 /nfs/dbraw/zinc/88/19/37/562881937.db2.gz UIMNSFHMDZUYPC-NRUNVSGISA-N 1 0 573.532 3.329 3 0 KGAFRO CC[NH+](CC)CCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000253621045 562881944 /nfs/dbraw/zinc/88/19/44/562881944.db2.gz UIMNSFHMDZUYPC-SUWSLWCISA-N 1 0 573.532 3.329 3 0 KGAFRO