smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(C(=O)C(C(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)[n+]2cccc(CO)c2)c1 ZINC000027164527 1059075310 /nfs/dbraw/zinc/07/53/10/1059075310.db2.gz GMSFSUQHYAOSRU-UHFFFAOYSA-O 1 0 500.622 2.776 20 0 KFADRO COc1ccccc1C(=O)C(C(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)[n+]1cccc(CO)c1 ZINC000027164567 1059075418 /nfs/dbraw/zinc/07/54/18/1059075418.db2.gz YFGAMRHVWIKCJA-UHFFFAOYSA-O 1 0 500.622 2.776 20 0 KFADRO CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000514290985 1059079674 /nfs/dbraw/zinc/07/96/74/1059079674.db2.gz ATNAZRBCCJYFNT-RUZDIDTESA-N 1 0 580.817 2.864 20 0 KFADRO CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000514290989 1059079579 /nfs/dbraw/zinc/07/95/79/1059079579.db2.gz ATNAZRBCCJYFNT-VWLOTQADSA-N 1 0 580.817 2.864 20 0 KFADRO COc1ccc([C@@H](CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)[NH+]2CCCCC2)cc1 ZINC000514291078 1059079177 /nfs/dbraw/zinc/07/91/77/1059079177.db2.gz BODIIFXZPNJNDJ-JOCHJYFZSA-N 1 0 507.678 2.664 20 0 KFADRO COc1ccc([C@H](CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)[NH+]2CCCCC2)cc1 ZINC000514291080 1059079249 /nfs/dbraw/zinc/07/92/49/1059079249.db2.gz BODIIFXZPNJNDJ-QFIPXVFZSA-N 1 0 507.678 2.664 20 0 KFADRO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000514291081 1059079038 /nfs/dbraw/zinc/07/90/38/1059079038.db2.gz BUCHPZKIYMUVOB-JOCHJYFZSA-N 1 0 514.604 2.511 20 0 KFADRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000514291084 1059079135 /nfs/dbraw/zinc/07/91/35/1059079135.db2.gz BUCHPZKIYMUVOB-QFIPXVFZSA-N 1 0 514.604 2.511 20 0 KFADRO CC[NH+]1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4C(=O)OC)CC3)c(C)c2)CC1 ZINC000514291221 1059195646 /nfs/dbraw/zinc/19/56/46/1059195646.db2.gz BLCYCXOCTKXCCH-UHFFFAOYSA-N 1 0 528.675 2.963 20 0 KFADRO C[NH+](C)CCCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCCC3 ZINC000514291592 1059203227 /nfs/dbraw/zinc/20/32/27/1059203227.db2.gz HUMQUUCKJHXCNI-UHFFFAOYSA-N 1 0 503.650 3.000 20 0 KFADRO CCn1c(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514292260 1059205104 /nfs/dbraw/zinc/20/51/04/1059205104.db2.gz JUCUZUUFECBGLH-UHFFFAOYSA-N 1 0 554.717 2.709 20 0 KFADRO CCn1c(CCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514292716 1059083824 /nfs/dbraw/zinc/08/38/24/1059083824.db2.gz PILQVCHPWOEQFK-DEOSSOPVSA-N 1 0 543.690 2.946 20 0 KFADRO CCn1c(CCC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514292717 1059083874 /nfs/dbraw/zinc/08/38/74/1059083874.db2.gz PILQVCHPWOEQFK-XMMPIXPASA-N 1 0 543.690 2.946 20 0 KFADRO C[NH+](C)CCCn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000514293044 1059082627 /nfs/dbraw/zinc/08/26/27/1059082627.db2.gz QVXOQPQPYIODLB-UHFFFAOYSA-N 1 0 535.717 2.667 20 0 KFADRO C[C@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000514293111 1059082205 /nfs/dbraw/zinc/08/22/05/1059082205.db2.gz RVSGGDSJSQBLCT-FQEVSTJZSA-N 1 0 508.648 2.980 20 0 KFADRO C[C@@H](Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000514293112 1059082074 /nfs/dbraw/zinc/08/20/74/1059082074.db2.gz RVSGGDSJSQBLCT-HXUWFJFHSA-N 1 0 508.648 2.980 20 0 KFADRO CCCCn1c(CCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514293220 1059081661 /nfs/dbraw/zinc/08/16/61/1059081661.db2.gz SQKPQOIEMSMDHK-UHFFFAOYSA-N 1 0 575.776 2.941 20 0 KFADRO COc1ccc([C@@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[NH+]2CCCC2)cc1 ZINC000514293226 1059081067 /nfs/dbraw/zinc/08/10/67/1059081067.db2.gz SUPBAXUZFCXFEG-RUZDIDTESA-N 1 0 501.649 2.602 20 0 KFADRO COc1ccc([C@H](CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[NH+]2CCCC2)cc1 ZINC000514293227 1059080846 /nfs/dbraw/zinc/08/08/46/1059080846.db2.gz SUPBAXUZFCXFEG-VWLOTQADSA-N 1 0 501.649 2.602 20 0 KFADRO CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3ccccc3c(=O)n2CC[NH+](C(C)C)C(C)C)c(=O)[nH]c1=O ZINC000514293581 1059088333 /nfs/dbraw/zinc/08/83/33/1059088333.db2.gz WAAFIFQVSROXCR-UHFFFAOYSA-N 1 0 601.774 2.932 20 0 KFADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](Cc3ccccc3)[NH+](C)C)CC2)cc1 ZINC000514293619 1059087435 /nfs/dbraw/zinc/08/74/35/1059087435.db2.gz UBLGINKPUUEYQP-HSZRJFAPSA-N 1 0 501.649 2.553 20 0 KFADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](Cc3ccccc3)[NH+](C)C)CC2)cc1 ZINC000514293620 1059087641 /nfs/dbraw/zinc/08/76/41/1059087641.db2.gz UBLGINKPUUEYQP-QHCPKHFHSA-N 1 0 501.649 2.553 20 0 KFADRO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000514293908 1059091175 /nfs/dbraw/zinc/09/11/75/1059091175.db2.gz USIIXQRPLIOWKG-HSZRJFAPSA-N 1 0 531.704 2.588 20 0 KFADRO CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000514293910 1059091412 /nfs/dbraw/zinc/09/14/12/1059091412.db2.gz USIIXQRPLIOWKG-QHCPKHFHSA-N 1 0 531.704 2.588 20 0 KFADRO CCn1c(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000514294077 1059089869 /nfs/dbraw/zinc/08/98/69/1059089869.db2.gz VLEJWLIOFADAHE-UHFFFAOYSA-N 1 0 512.680 2.938 20 0 KFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000514294081 1059089959 /nfs/dbraw/zinc/08/99/59/1059089959.db2.gz VLFLJVBCSFRQPO-UHFFFAOYSA-N 1 0 514.648 2.557 20 0 KFADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)CC2)cc1 ZINC000514294102 1059090465 /nfs/dbraw/zinc/09/04/65/1059090465.db2.gz VXSIKNXSSOAFQW-HSZRJFAPSA-N 1 0 505.612 2.822 20 0 KFADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CC2)cc1 ZINC000514294103 1059090406 /nfs/dbraw/zinc/09/04/06/1059090406.db2.gz VXSIKNXSSOAFQW-QHCPKHFHSA-N 1 0 505.612 2.822 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)COc2cccc(Br)c2)CC1 ZINC000514295087 1059092884 /nfs/dbraw/zinc/09/28/84/1059092884.db2.gz ADYSWISFPKJVCY-UHFFFAOYSA-N 1 0 567.506 2.629 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000514295089 1059093026 /nfs/dbraw/zinc/09/30/26/1059093026.db2.gz AFQMZVIODQMXFN-UHFFFAOYSA-N 1 0 554.616 2.712 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)CC1 ZINC000514295200 1059095007 /nfs/dbraw/zinc/09/50/07/1059095007.db2.gz CNYNVLKZRRKORK-JOCHJYFZSA-N 1 0 589.784 2.857 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)CC1 ZINC000514295202 1059095118 /nfs/dbraw/zinc/09/51/18/1059095118.db2.gz CNYNVLKZRRKORK-QFIPXVFZSA-N 1 0 589.784 2.857 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(-n3nc(C)cc3C)cc2)CC1 ZINC000514295256 1059095579 /nfs/dbraw/zinc/09/55/79/1059095579.db2.gz DQBCYFUWVYEBHF-UHFFFAOYSA-N 1 0 552.701 2.904 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CSc2ccccc2C)CC1 ZINC000514295699 1059108336 /nfs/dbraw/zinc/10/83/36/1059108336.db2.gz GDVGBGRDMKQGQE-UHFFFAOYSA-N 1 0 518.705 2.889 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000514296394 1059126845 /nfs/dbraw/zinc/12/68/45/1059126845.db2.gz MEZWRHPXZYFCTN-UHFFFAOYSA-N 1 0 500.665 2.647 20 0 KFADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000514296428 1059127811 /nfs/dbraw/zinc/12/78/11/1059127811.db2.gz PPHCUTRJHSUQLJ-UHFFFAOYSA-N 1 0 545.662 2.669 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cccc(OC(F)F)c2)CC1 ZINC000514296671 1059122802 /nfs/dbraw/zinc/12/28/02/1059122802.db2.gz OMAGXWPJNFWYFK-UHFFFAOYSA-N 1 0 524.590 2.703 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H](C)Oc2ccc(C)cc2)CC1 ZINC000514296689 1059122785 /nfs/dbraw/zinc/12/27/85/1059122785.db2.gz OSVZTXOGTXQEOV-NRFANRHFSA-N 1 0 516.664 2.564 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H](C)Oc2ccc(C)cc2)CC1 ZINC000514296694 1059123519 /nfs/dbraw/zinc/12/35/19/1059123519.db2.gz OSVZTXOGTXQEOV-OAQYLSRUSA-N 1 0 516.664 2.564 20 0 KFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000514296751 1059121528 /nfs/dbraw/zinc/12/15/28/1059121528.db2.gz NVBANHHFUWELBP-UHFFFAOYSA-N 1 0 502.637 2.605 20 0 KFADRO CCOc1ccc(CN(CCC[NH+](C)C)S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OCC ZINC000514297081 1059118080 /nfs/dbraw/zinc/11/80/80/1059118080.db2.gz MZTALQIHTBTTDQ-UHFFFAOYSA-N 1 0 569.746 2.648 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CSc2ccccc2)CC1 ZINC000514297284 1059129588 /nfs/dbraw/zinc/12/95/88/1059129588.db2.gz UIAAEZSLRSCRTP-UHFFFAOYSA-N 1 0 504.678 2.580 20 0 KFADRO COc1ccccc1[C@H](CNC(=O)CNC(=O)c1ccccc1I)[NH+]1CCCC1 ZINC000514297308 1059130825 /nfs/dbraw/zinc/13/08/25/1059130825.db2.gz RKWUQPVZPOGMTK-IBGZPJMESA-N 1 0 507.372 2.983 20 0 KFADRO COc1ccccc1[C@@H](CNC(=O)CNC(=O)c1ccccc1I)[NH+]1CCCC1 ZINC000514297311 1059130886 /nfs/dbraw/zinc/13/08/86/1059130886.db2.gz RKWUQPVZPOGMTK-LJQANCHMSA-N 1 0 507.372 2.983 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc3ncsc3c2)CC1 ZINC000514297879 1059143312 /nfs/dbraw/zinc/14/33/12/1059143312.db2.gz WCPZUOGUEPIZLE-UHFFFAOYSA-N 1 0 515.661 2.711 20 0 KFADRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cn1cc(I)c(=O)c(I)c1 ZINC000514298087 1059140053 /nfs/dbraw/zinc/14/00/53/1059140053.db2.gz XTUGEDXVSZCWRW-UHFFFAOYSA-N 1 0 592.219 2.756 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1 ZINC000514298615 1059159621 /nfs/dbraw/zinc/15/96/21/1059159621.db2.gz CMZYCCRIBFRFSN-UHFFFAOYSA-N 1 0 550.747 2.970 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1 ZINC000514298869 1059154659 /nfs/dbraw/zinc/15/46/59/1059154659.db2.gz IRXJPFFWDNUSIB-UHFFFAOYSA-N 1 0 529.707 2.866 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(SC)cc2)CC1 ZINC000514299269 1059152772 /nfs/dbraw/zinc/15/27/72/1059152772.db2.gz JGRJDTPBATZVAW-UHFFFAOYSA-N 1 0 504.678 2.824 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)c1 ZINC000514299274 1059152367 /nfs/dbraw/zinc/15/23/67/1059152367.db2.gz JLJAONDMESZZOR-UHFFFAOYSA-N 1 0 649.836 2.685 20 0 KFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000514299284 1059150383 /nfs/dbraw/zinc/15/03/83/1059150383.db2.gz JSQSWYGQOBMXCB-UHFFFAOYSA-N 1 0 537.082 2.693 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1 ZINC000514299312 1059160616 /nfs/dbraw/zinc/16/06/16/1059160616.db2.gz KTKCKMZZBVIULS-UHFFFAOYSA-N 1 0 536.720 2.823 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2csc(-c3cccnc3)n2)CC1 ZINC000514299578 1059173794 /nfs/dbraw/zinc/17/37/94/1059173794.db2.gz GANIUBLPDFFIKI-UHFFFAOYSA-N 1 0 556.714 2.549 20 0 KFADRO CC[NH+]1CCN(c2ccccc2NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CC1 ZINC000514299706 1059172782 /nfs/dbraw/zinc/17/27/82/1059172782.db2.gz OSNCYJYAIPJYAV-UHFFFAOYSA-N 1 0 514.648 2.655 20 0 KFADRO COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)[NH+]2CCCCC2)cc1 ZINC000514299782 1059171896 /nfs/dbraw/zinc/17/18/96/1059171896.db2.gz IGGGWORTZGQPOZ-AREMUKBSSA-N 1 0 528.675 2.505 20 0 KFADRO COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)[NH+]2CCCCC2)cc1 ZINC000514299783 1059171984 /nfs/dbraw/zinc/17/19/84/1059171984.db2.gz IGGGWORTZGQPOZ-SANMLTNESA-N 1 0 528.675 2.505 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2ccc(OC(F)F)cc2)CC1 ZINC000514300364 1059218425 /nfs/dbraw/zinc/21/84/25/1059218425.db2.gz MAUROOKGZQLUMB-UHFFFAOYSA-N 1 0 538.617 2.632 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc3nc(C)c(C)nc3c2)CC1 ZINC000514300430 1059217951 /nfs/dbraw/zinc/21/79/51/1059217951.db2.gz OPJLRWLMELKGJH-UHFFFAOYSA-N 1 0 538.674 2.662 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2csc(-c3ccccn3)n2)CC1 ZINC000514300543 1059148447 /nfs/dbraw/zinc/14/84/47/1059148447.db2.gz NSBJRHSFFJXSJT-UHFFFAOYSA-N 1 0 556.714 2.549 20 0 KFADRO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000514300646 1059084564 /nfs/dbraw/zinc/08/45/64/1059084564.db2.gz ZZQATGSVHSANPI-UHFFFAOYSA-N 1 0 582.789 2.693 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCc2c(C)nc(SC)nc2C)CC1 ZINC000514300830 1059187698 /nfs/dbraw/zinc/18/76/98/1059187698.db2.gz RUHBSQZTZKLZGQ-UHFFFAOYSA-N 1 0 562.762 2.549 20 0 KFADRO CC[NH+]1CCN(c2ccc(NC(=O)CCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(C)c2)CC1 ZINC000514300940 1059186837 /nfs/dbraw/zinc/18/68/37/1059186837.db2.gz UIJSNYRKVSADFH-UHFFFAOYSA-N 1 0 541.718 2.697 20 0 KFADRO CC[NH+]1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c(C)c2)CC1 ZINC000514300952 1059186805 /nfs/dbraw/zinc/18/68/05/1059186805.db2.gz UMVURBZFGVPBPT-UHFFFAOYSA-N 1 0 500.543 2.953 20 0 KFADRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CC1 ZINC000514301158 1059183743 /nfs/dbraw/zinc/18/37/43/1059183743.db2.gz VTOKYDHRAQTPQP-UHFFFAOYSA-N 1 0 534.082 2.587 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 ZINC000514302660 1059206175 /nfs/dbraw/zinc/20/61/75/1059206175.db2.gz OPZNEYUEJQDDHQ-UHFFFAOYSA-N 1 0 576.119 2.882 20 0 KFADRO COc1ccc([C@@H](CNC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)[NH+]2CCCCC2)cc1 ZINC000514302666 1059206764 /nfs/dbraw/zinc/20/67/64/1059206764.db2.gz OSPPSZDTXZNEJQ-HSZRJFAPSA-N 1 0 534.704 2.547 20 0 KFADRO COc1ccc([C@H](CNC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)[NH+]2CCCCC2)cc1 ZINC000514302667 1059206863 /nfs/dbraw/zinc/20/68/63/1059206863.db2.gz OSPPSZDTXZNEJQ-QHCPKHFHSA-N 1 0 534.704 2.547 20 0 KFADRO CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)CC2)cc1 ZINC000514302673 1059206899 /nfs/dbraw/zinc/20/68/99/1059206899.db2.gz OWHYFHVMILSTOU-UHFFFAOYSA-N 1 0 513.660 2.999 20 0 KFADRO COc1ccc(OC)c(CN2CC[NH+](CCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2)c1 ZINC000514302680 1059206741 /nfs/dbraw/zinc/20/67/41/1059206741.db2.gz PLPSYBHYFSUCNA-UHFFFAOYSA-N 1 0 516.664 2.635 20 0 KFADRO O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000514303057 1059206247 /nfs/dbraw/zinc/20/62/47/1059206247.db2.gz KNNWQKJPXCDUCK-HSZRJFAPSA-N 1 0 512.632 2.722 20 0 KFADRO O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000514303058 1059206265 /nfs/dbraw/zinc/20/62/65/1059206265.db2.gz KNNWQKJPXCDUCK-QHCPKHFHSA-N 1 0 512.632 2.722 20 0 KFADRO COCCn1c(SCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)nc2sc3c(c2c1=O)CCCC3 ZINC000514303081 1059209379 /nfs/dbraw/zinc/20/93/79/1059209379.db2.gz SXVRQNGPRINSII-KRWDZBQOSA-N 1 0 508.710 2.548 20 0 KFADRO COCCn1c(SCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nc2sc3c(c2c1=O)CCCC3 ZINC000514303082 1059209440 /nfs/dbraw/zinc/20/94/40/1059209440.db2.gz SXVRQNGPRINSII-QGZVFWFLSA-N 1 0 508.710 2.548 20 0 KFADRO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1S[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000514303371 1059212204 /nfs/dbraw/zinc/21/22/04/1059212204.db2.gz KYNMAGHDMWGIAH-MOPGFXCFSA-N 1 0 508.710 2.641 20 0 KFADRO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC000514303372 1059212266 /nfs/dbraw/zinc/21/22/66/1059212266.db2.gz KYNMAGHDMWGIAH-OALUTQOASA-N 1 0 508.710 2.641 20 0 KFADRO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1S[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000514303373 1059212117 /nfs/dbraw/zinc/21/21/17/1059212117.db2.gz KYNMAGHDMWGIAH-RBUKOAKNSA-N 1 0 508.710 2.641 20 0 KFADRO CC(C)[NH+](CCn1c(=O)c2ccccc2nc1S[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC000514303374 1059212056 /nfs/dbraw/zinc/21/20/56/1059212056.db2.gz KYNMAGHDMWGIAH-RTBURBONSA-N 1 0 508.710 2.641 20 0 KFADRO CC[NH+]1CCC(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccccc2)CC1 ZINC000514303837 1059210594 /nfs/dbraw/zinc/21/05/94/1059210594.db2.gz OWGJTSHULRUZFR-UHFFFAOYSA-N 1 0 584.768 2.707 20 0 KFADRO CCN(CC(=O)NC(C)C)C(=O)CSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3 ZINC000514374509 1059236428 /nfs/dbraw/zinc/23/64/28/1059236428.db2.gz DJOFAVOMZVCIAO-UHFFFAOYSA-N 1 0 507.726 2.754 20 0 KFADRO COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)CC2)c(C(=O)OC)c1C ZINC000514376639 1059253215 /nfs/dbraw/zinc/25/32/15/1059253215.db2.gz DIPUFKCGEWIVQP-INIZCTEOSA-N 1 0 557.716 2.511 20 0 KFADRO COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3cccs3)[NH+](C)C)CC2)c(C(=O)OC)c1C ZINC000514376644 1059253291 /nfs/dbraw/zinc/25/32/91/1059253291.db2.gz DIPUFKCGEWIVQP-MRXNPFEDSA-N 1 0 557.716 2.511 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC1([NH+]3CCOCC3)CCCCC1)n2C ZINC000514376853 1059249615 /nfs/dbraw/zinc/24/96/15/1059249615.db2.gz IXCMUNIZIMPFHS-UHFFFAOYSA-N 1 0 519.712 2.688 20 0 KFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)cc1 ZINC000514377053 1059247344 /nfs/dbraw/zinc/24/73/44/1059247344.db2.gz XLLPLCGAHGGOLW-BGYRXZFFSA-N 1 0 516.664 2.808 20 0 KFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 ZINC000514377054 1059247203 /nfs/dbraw/zinc/24/72/03/1059247203.db2.gz XLLPLCGAHGGOLW-PMACEKPBSA-N 1 0 516.664 2.808 20 0 KFADRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 ZINC000514377055 1059247742 /nfs/dbraw/zinc/24/77/42/1059247742.db2.gz XLLPLCGAHGGOLW-WOJBJXKFSA-N 1 0 516.664 2.808 20 0 KFADRO CCOc1ccc(CN(CCC[NH+](C)C)C(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1OCC ZINC000514377109 1059246921 /nfs/dbraw/zinc/24/69/21/1059246921.db2.gz MAULUCZLKVWNSR-UHFFFAOYSA-N 1 0 519.664 2.945 20 0 KFADRO COc1ccc([C@H](CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)[NH+]2CCCCC2)cc1 ZINC000514377251 1059245066 /nfs/dbraw/zinc/24/50/66/1059245066.db2.gz OXYIHQXUMUMXTL-DEOSSOPVSA-N 1 0 531.675 2.611 20 0 KFADRO COc1ccc([C@@H](CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)[NH+]2CCCCC2)cc1 ZINC000514377252 1059245027 /nfs/dbraw/zinc/24/50/27/1059245027.db2.gz OXYIHQXUMUMXTL-XMMPIXPASA-N 1 0 531.675 2.611 20 0 KFADRO CCn1c(CCC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514377313 1059245608 /nfs/dbraw/zinc/24/56/08/1059245608.db2.gz QSKCJAUSJDPJMJ-HSZRJFAPSA-N 1 0 529.663 2.556 20 0 KFADRO CCn1c(CCC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514377314 1059245801 /nfs/dbraw/zinc/24/58/01/1059245801.db2.gz QSKCJAUSJDPJMJ-QHCPKHFHSA-N 1 0 529.663 2.556 20 0 KFADRO COc1ccc([C@H](CNC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)[NH+]2CCCCC2)cc1 ZINC000514377382 1059257273 /nfs/dbraw/zinc/25/72/73/1059257273.db2.gz SWKNVXGOPNZRIL-DEOSSOPVSA-N 1 0 502.637 2.665 20 0 KFADRO COc1ccc([C@@H](CNC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)[NH+]2CCCCC2)cc1 ZINC000514377383 1059257092 /nfs/dbraw/zinc/25/70/92/1059257092.db2.gz SWKNVXGOPNZRIL-XMMPIXPASA-N 1 0 502.637 2.665 20 0 KFADRO Cn1c(CCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000514377447 1059263958 /nfs/dbraw/zinc/26/39/58/1059263958.db2.gz VUYZXZBZJPWIOL-UHFFFAOYSA-N 1 0 531.723 2.832 20 0 KFADRO CC[NH+](CC)CCCNC(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000514377523 1059263553 /nfs/dbraw/zinc/26/35/53/1059263553.db2.gz YWAVERPMYCVBNP-UHFFFAOYSA-N 1 0 513.664 2.771 20 0 KFADRO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(=O)[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc43)c(C)c2)CC1 ZINC000514377938 1059258430 /nfs/dbraw/zinc/25/84/30/1059258430.db2.gz PQULXLZJUOPHNK-UHFFFAOYSA-N 1 0 539.658 2.664 20 0 KFADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C ZINC000514378534 1059274152 /nfs/dbraw/zinc/27/41/52/1059274152.db2.gz HAEBXPXCHNSCHV-UHFFFAOYSA-N 1 0 567.716 2.857 20 0 KFADRO CCc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)[NH+](C)C)cc1 ZINC000514378736 1059272297 /nfs/dbraw/zinc/27/22/97/1059272297.db2.gz WMAKZCUQMHHFHI-HSZRJFAPSA-N 1 0 501.649 2.855 20 0 KFADRO CCc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)[NH+](C)C)cc1 ZINC000514378737 1059272204 /nfs/dbraw/zinc/27/22/04/1059272204.db2.gz WMAKZCUQMHHFHI-QHCPKHFHSA-N 1 0 501.649 2.855 20 0 KFADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000514379323 1059265230 /nfs/dbraw/zinc/26/52/30/1059265230.db2.gz QFVHHOZMUMNRRW-UHFFFAOYSA-N 1 0 500.625 2.596 20 0 KFADRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000514379326 1059265778 /nfs/dbraw/zinc/26/57/78/1059265778.db2.gz QGHHIWVKSPCQSH-UHFFFAOYSA-N 1 0 552.657 2.905 20 0 KFADRO COc1ccccc1[C@@H](CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[NH+]1CCCC1 ZINC000514379599 1059281530 /nfs/dbraw/zinc/28/15/30/1059281530.db2.gz APCWTHWJSJWOAI-RUZDIDTESA-N 1 0 542.702 2.570 20 0 KFADRO COc1ccccc1[C@H](CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[NH+]1CCCC1 ZINC000514379600 1059281597 /nfs/dbraw/zinc/28/15/97/1059281597.db2.gz APCWTHWJSJWOAI-VWLOTQADSA-N 1 0 542.702 2.570 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCCOc2ccc(C(C)=O)cc2)CC1 ZINC000514379939 1059279355 /nfs/dbraw/zinc/27/93/55/1059279355.db2.gz FMLYTEWPHUWDCV-UHFFFAOYSA-N 1 0 558.701 2.850 20 0 KFADRO CC[NH+]1CCN(CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)CC1 ZINC000514380123 1059277510 /nfs/dbraw/zinc/27/75/10/1059277510.db2.gz FUOZHOOFCLWLSL-UHFFFAOYSA-N 1 0 561.108 2.905 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000514380240 1059275979 /nfs/dbraw/zinc/27/59/79/1059275979.db2.gz KFPWJDJLKWRWIY-UHFFFAOYSA-N 1 0 537.480 2.864 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000514380437 1059352585 /nfs/dbraw/zinc/35/25/85/1059352585.db2.gz MYCKEAFGBQYIGG-UHFFFAOYSA-N 1 0 673.780 2.908 20 0 KFADRO CCOc1ccc(CN(CCC[NH+](C)C)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OCC ZINC000514380534 1059231821 /nfs/dbraw/zinc/23/18/21/1059231821.db2.gz MNKVJHFBONISTN-UHFFFAOYSA-N 1 0 527.709 2.877 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 ZINC000514380553 1059231690 /nfs/dbraw/zinc/23/16/90/1059231690.db2.gz PFFYGSCFIGGPGI-UHFFFAOYSA-N 1 0 619.810 2.585 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc3ccccc3n2)CC1 ZINC000514380572 1059231594 /nfs/dbraw/zinc/23/15/94/1059231594.db2.gz PQTPMXKFDWBSAM-UHFFFAOYSA-N 1 0 509.632 2.650 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCCc2cccs2)CC1 ZINC000514380637 1059230997 /nfs/dbraw/zinc/23/09/97/1059230997.db2.gz RBZRWRGOHQSAMD-UHFFFAOYSA-N 1 0 506.694 2.872 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)CC1 ZINC000514380697 1059229227 /nfs/dbraw/zinc/22/92/27/1059229227.db2.gz TZJVBTKUERZAGM-HSZRJFAPSA-N 1 0 619.810 2.665 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)CC1 ZINC000514380698 1059229375 /nfs/dbraw/zinc/22/93/75/1059229375.db2.gz TZJVBTKUERZAGM-QHCPKHFHSA-N 1 0 619.810 2.665 20 0 KFADRO C[NH+](C)CCNC(=O)c1cc(I)cc(I)c1I ZINC000514380950 1059001397 /nfs/dbraw/zinc/00/13/97/1059001397.db2.gz STONXJNORSIIGH-UHFFFAOYSA-N 1 0 569.950 2.792 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000514381080 1059223780 /nfs/dbraw/zinc/22/37/80/1059223780.db2.gz WTMNCRHQPNFTGU-MSOLQXFVSA-N 1 0 510.682 2.645 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000514381081 1059223831 /nfs/dbraw/zinc/22/38/31/1059223831.db2.gz WTMNCRHQPNFTGU-QZTJIDSGSA-N 1 0 510.682 2.645 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000514381082 1059223961 /nfs/dbraw/zinc/22/39/61/1059223961.db2.gz WTMNCRHQPNFTGU-ROUUACIJSA-N 1 0 510.682 2.645 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 ZINC000514381083 1059224102 /nfs/dbraw/zinc/22/41/02/1059224102.db2.gz WTMNCRHQPNFTGU-ZWKOTPCHSA-N 1 0 510.682 2.645 20 0 KFADRO COc1cccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)[NH+](C)C)c1 ZINC000514381410 1059286584 /nfs/dbraw/zinc/28/65/84/1059286584.db2.gz DRMAKZVXQUHMIF-JOCHJYFZSA-N 1 0 505.637 2.532 20 0 KFADRO COc1cccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)[NH+](C)C)c1 ZINC000514381411 1059286614 /nfs/dbraw/zinc/28/66/14/1059286614.db2.gz DRMAKZVXQUHMIF-QFIPXVFZSA-N 1 0 505.637 2.532 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)Cn2ccc(C(F)(F)F)n2)c1 ZINC000514382131 1059354196 /nfs/dbraw/zinc/35/41/96/1059354196.db2.gz HHKIUIGZRRZQAQ-UHFFFAOYSA-N 1 0 516.590 2.713 20 0 KFADRO CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccccc2N2CC[NH+](CC)CC2)c(=O)[nH]c1=O ZINC000514382340 1059353628 /nfs/dbraw/zinc/35/36/28/1059353628.db2.gz JUGXCMYSRBVTGV-UHFFFAOYSA-N 1 0 541.697 2.881 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c1 ZINC000514382632 1059294751 /nfs/dbraw/zinc/29/47/51/1059294751.db2.gz SVUKPVDUUTZTOY-UHFFFAOYSA-N 1 0 607.799 2.904 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 ZINC000514382778 1059293541 /nfs/dbraw/zinc/29/35/41/1059293541.db2.gz VKLIGQLDDFHCST-UHFFFAOYSA-N 1 0 621.826 2.907 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)CCCNC(=O)c2ccco2)c1 ZINC000514382821 1059292230 /nfs/dbraw/zinc/29/22/30/1059292230.db2.gz AFZLNUPOJCPCNK-UHFFFAOYSA-N 1 0 519.668 2.601 20 0 KFADRO CC(C)[NH+](CCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O)C(C)C ZINC000514382832 1059292359 /nfs/dbraw/zinc/29/23/59/1059292359.db2.gz AMZJZARJIRPHQE-FCHUYYIVSA-N 1 0 564.774 2.802 20 0 KFADRO CC(C)[NH+](CCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O)C(C)C ZINC000514382837 1059292295 /nfs/dbraw/zinc/29/22/95/1059292295.db2.gz AMZJZARJIRPHQE-FGZHOGPDSA-N 1 0 564.774 2.802 20 0 KFADRO CC(C)[NH+](CCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O)C(C)C ZINC000514382838 1059292270 /nfs/dbraw/zinc/29/22/70/1059292270.db2.gz AMZJZARJIRPHQE-VXKWHMMOSA-N 1 0 564.774 2.802 20 0 KFADRO CC(C)[NH+](CCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O)C(C)C ZINC000514382839 1059292898 /nfs/dbraw/zinc/29/28/98/1059292898.db2.gz AMZJZARJIRPHQE-YADHBBJMSA-N 1 0 564.774 2.802 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000514383109 1059288805 /nfs/dbraw/zinc/28/88/05/1059288805.db2.gz YZVIGPQHCFDVHR-UHFFFAOYSA-N 1 0 536.720 2.656 20 0 KFADRO COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N(CC[NH+](C)C)Cc3ccccc3)CC2)c(C(=O)OC)c1C ZINC000514383486 1059301786 /nfs/dbraw/zinc/30/17/86/1059301786.db2.gz JWVAATQQHPESIU-UHFFFAOYSA-N 1 0 565.714 2.621 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000514383847 1059300084 /nfs/dbraw/zinc/30/00/84/1059300084.db2.gz MPLWPLNJIMSLDL-UHFFFAOYSA-N 1 0 565.092 2.916 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 ZINC000514383966 1059298504 /nfs/dbraw/zinc/29/85/04/1059298504.db2.gz IESOXYTYWIOTJG-UHFFFAOYSA-N 1 0 555.701 2.760 20 0 KFADRO CC[NH+]1CCN(c2ccc(NC(=O)CCCNS(=O)(=O)c3ccc4c(c3)OCCCO4)c(C)c2)CC1 ZINC000514384030 1059298928 /nfs/dbraw/zinc/29/89/28/1059298928.db2.gz JZHZSNRKXWCVLE-UHFFFAOYSA-N 1 0 516.664 2.995 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)CC1 ZINC000514384367 1059295828 /nfs/dbraw/zinc/29/58/28/1059295828.db2.gz NTMMYGMQBALLSO-UHFFFAOYSA-N 1 0 628.802 2.988 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CC1 ZINC000514385088 1059303737 /nfs/dbraw/zinc/30/37/37/1059303737.db2.gz ZPFOPVTZEKXQEU-UHFFFAOYSA-N 1 0 598.751 2.739 20 0 KFADRO COc1ccccc1-n1c(SCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)nnc1N1CCCCC1 ZINC000514386331 1059309912 /nfs/dbraw/zinc/30/99/12/1059309912.db2.gz KWBHXAGTWBCVKM-FQEVSTJZSA-N 1 0 502.685 2.831 20 0 KFADRO COc1ccccc1-n1c(SCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nnc1N1CCCCC1 ZINC000514386332 1059309981 /nfs/dbraw/zinc/30/99/81/1059309981.db2.gz KWBHXAGTWBCVKM-HXUWFJFHSA-N 1 0 502.685 2.831 20 0 KFADRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)C1 ZINC000514386522 1059322404 /nfs/dbraw/zinc/32/24/04/1059322404.db2.gz QYMLFIBSEKSVBB-JOCHJYFZSA-N 1 0 504.676 2.957 20 0 KFADRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)C1 ZINC000514386523 1059322505 /nfs/dbraw/zinc/32/25/05/1059322505.db2.gz QYMLFIBSEKSVBB-QFIPXVFZSA-N 1 0 504.676 2.957 20 0 KFADRO COC(=O)Cc1c(C(=O)OC)sc(NC(=O)C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)c1C(=O)OC ZINC000514386908 1059319056 /nfs/dbraw/zinc/31/90/56/1059319056.db2.gz IDUHQKHOXSOVFW-FQEVSTJZSA-N 1 0 506.577 2.971 20 0 KFADRO COC(=O)Cc1c(C(=O)OC)sc(NC(=O)C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)c1C(=O)OC ZINC000514386909 1059319251 /nfs/dbraw/zinc/31/92/51/1059319251.db2.gz IDUHQKHOXSOVFW-HXUWFJFHSA-N 1 0 506.577 2.971 20 0 KFADRO CCOC(=O)c1c2c(sc1NC(=O)C1CCN(c3ccc4nnnn4n3)CC1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000514386970 1059318360 /nfs/dbraw/zinc/31/83/60/1059318360.db2.gz BDAVHANXWCJYSR-UHFFFAOYSA-N 1 0 512.640 2.772 20 0 KFADRO C[NH+](C)CCCn1c(SCC(=O)NC(=O)NCC(F)(F)F)nc2sc3c(c2c1=O)CCCC3 ZINC000514387061 1059317306 /nfs/dbraw/zinc/31/73/06/1059317306.db2.gz APXKWOCVBUCJSR-UHFFFAOYSA-N 1 0 505.588 2.769 20 0 KFADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000514387683 1059328092 /nfs/dbraw/zinc/32/80/92/1059328092.db2.gz IMMGJGNYRWMCBB-UHFFFAOYSA-N 1 0 500.665 2.689 20 0 KFADRO CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000514388021 1059324540 /nfs/dbraw/zinc/32/45/40/1059324540.db2.gz LYJRYXHSOBVFPN-UHFFFAOYSA-N 1 0 500.665 2.689 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCc2c(C)nn(CC(C)C)c2C)CC1 ZINC000514388560 1059333714 /nfs/dbraw/zinc/33/37/14/1059333714.db2.gz PGJOPEZBIDYINF-UHFFFAOYSA-N 1 0 560.765 2.890 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cc2cc(Cl)ccc2OC)CC1 ZINC000514389092 1059331173 /nfs/dbraw/zinc/33/11/73/1059331173.db2.gz YTHIFCXMTHPFKH-UHFFFAOYSA-N 1 0 537.082 2.693 20 0 KFADRO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)Cn2c(CSC)nc3ccccc32)CC1 ZINC000514389861 1059340704 /nfs/dbraw/zinc/34/07/04/1059340704.db2.gz POUBPZXBUPVDIT-UHFFFAOYSA-N 1 0 572.757 2.701 20 0 KFADRO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000514390268 1059337172 /nfs/dbraw/zinc/33/71/72/1059337172.db2.gz DOXXVQQXUMAWMB-UHFFFAOYSA-N 1 0 512.554 2.677 20 0 KFADRO CC[N@H+](CCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1)CC(=O)NCc1ccc(F)cc1 ZINC000514390746 1059345783 /nfs/dbraw/zinc/34/57/83/1059345783.db2.gz BJZZGULALCKORW-UHFFFAOYSA-N 1 0 534.654 2.976 20 0 KFADRO COc1ccc(NC(=O)CC[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000514391326 1059348166 /nfs/dbraw/zinc/34/81/66/1059348166.db2.gz GWZLVVMJIXXHRZ-UHFFFAOYSA-N 1 0 570.759 2.703 20 0 KFADRO COC(=O)Cc1c(C(=O)OC)sc(NC(=O)C[NH2+][C@H](c2ccc(OC)cc2)C2CC2)c1C(=O)OC ZINC000514391405 1059348652 /nfs/dbraw/zinc/34/86/52/1059348652.db2.gz ILOSXUWWRARIJS-FQEVSTJZSA-N 1 0 504.561 2.725 20 0 KFADRO COC(=O)Cc1c(C(=O)OC)sc(NC(=O)C[NH2+][C@@H](c2ccc(OC)cc2)C2CC2)c1C(=O)OC ZINC000514391406 1059348907 /nfs/dbraw/zinc/34/89/07/1059348907.db2.gz ILOSXUWWRARIJS-HXUWFJFHSA-N 1 0 504.561 2.725 20 0 KFADRO C[NH+](C)CCCn1c(SCC(=O)NCC(C)(C)N2CCOCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000514391424 1059350739 /nfs/dbraw/zinc/35/07/39/1059350739.db2.gz IWKVEFHWLRAGKC-UHFFFAOYSA-N 1 0 521.753 2.608 20 0 KFADRO O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000514391771 1059380036 /nfs/dbraw/zinc/38/00/36/1059380036.db2.gz OFLSANUMYXOATF-UHFFFAOYSA-N 1 0 500.621 2.856 20 0 KFADRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CC[NH+](C(C)C)C(C)C)CC1 ZINC000514392051 1059351833 /nfs/dbraw/zinc/35/18/33/1059351833.db2.gz SSXPHBZOXCZFLF-UHFFFAOYSA-N 1 0 590.772 2.745 20 0 KFADRO CCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCC(=O)NC1CC[NH+](CC)CC1 ZINC000514392454 1059385342 /nfs/dbraw/zinc/38/53/42/1059385342.db2.gz XHIBUIRLVHYOMS-UHFFFAOYSA-N 1 0 523.725 2.550 20 0 KFADRO COc1ccc(CN2CC[NH+](CCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1F ZINC000514392586 1059384559 /nfs/dbraw/zinc/38/45/59/1059384559.db2.gz YOHLHQWSCYJRFU-UHFFFAOYSA-N 1 0 504.628 2.765 20 0 KFADRO CC[NH+](CC)[C@@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1cccc(OC)c1 ZINC000514393295 1059381186 /nfs/dbraw/zinc/38/11/86/1059381186.db2.gz VUYGOQJSCTZZHX-DEOSSOPVSA-N 1 0 515.680 2.964 20 0 KFADRO CC[NH+](CC)[C@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1cccc(OC)c1 ZINC000514393296 1059381053 /nfs/dbraw/zinc/38/10/53/1059381053.db2.gz VUYGOQJSCTZZHX-XMMPIXPASA-N 1 0 515.680 2.964 20 0 KFADRO CCCn1c(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000514393908 1059389427 /nfs/dbraw/zinc/38/94/27/1059389427.db2.gz AUSVPYDZCZPDFX-UHFFFAOYSA-N 1 0 555.749 2.873 20 0 KFADRO CCOC(=O)c1sc2nc(CSCCC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)[nH]c(=O)c2c1C ZINC000514393982 1059388517 /nfs/dbraw/zinc/38/85/17/1059388517.db2.gz DKRGIIIARYULES-UHFFFAOYSA-N 1 0 544.703 2.556 20 0 KFADRO CC[NH+](CC)[C@H](CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(OC)c1 ZINC000514394591 1059397860 /nfs/dbraw/zinc/39/78/60/1059397860.db2.gz OVUZTZPFERFPAB-RUZDIDTESA-N 1 0 530.691 2.508 20 0 KFADRO CC[NH+](CC)[C@@H](CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(OC)c1 ZINC000514394592 1059397816 /nfs/dbraw/zinc/39/78/16/1059397816.db2.gz OVUZTZPFERFPAB-VWLOTQADSA-N 1 0 530.691 2.508 20 0 KFADRO CCCCCn1c(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000514394784 1059396363 /nfs/dbraw/zinc/39/63/63/1059396363.db2.gz SMTAPXWEPPAUPU-UHFFFAOYSA-N 1 0 538.697 2.685 20 0 KFADRO O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514400922 1059361892 /nfs/dbraw/zinc/36/18/92/1059361892.db2.gz FDJRCHLRGIDCGC-UHFFFAOYSA-N 1 0 533.094 2.865 20 0 KFADRO O=C(CN1CCN(C(=O)C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)CC1)Nc1ccccc1C(F)(F)F ZINC000514401039 1059361507 /nfs/dbraw/zinc/36/15/07/1059361507.db2.gz JZVQXSROCHTGKN-UHFFFAOYSA-N 1 0 545.606 2.817 20 0 KFADRO CC[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000514401219 1059359661 /nfs/dbraw/zinc/35/96/61/1059359661.db2.gz PSNQTIXAFAUAEO-UHFFFAOYSA-N 1 0 530.535 2.631 20 0 KFADRO CC[NH+](CC)CCN(C(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000514401557 1059366728 /nfs/dbraw/zinc/36/67/28/1059366728.db2.gz YYAYYHWYUWSZQW-HSZRJFAPSA-N 1 0 518.680 2.566 20 0 KFADRO CC[NH+](CC)CCN(C(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000514401558 1059366970 /nfs/dbraw/zinc/36/69/70/1059366970.db2.gz YYAYYHWYUWSZQW-QHCPKHFHSA-N 1 0 518.680 2.566 20 0 KFADRO COc1ccccc1[C@@H](CNC(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O)[NH+]1CCCC1 ZINC000514402572 1059372020 /nfs/dbraw/zinc/37/20/20/1059372020.db2.gz CTBVRKLWGDTZKN-HSZRJFAPSA-N 1 0 542.658 2.731 20 0 KFADRO COc1ccccc1[C@H](CNC(=O)CCn1c2ccc(S(=O)(=O)N3CCCC3)cc2oc1=O)[NH+]1CCCC1 ZINC000514402574 1059372157 /nfs/dbraw/zinc/37/21/57/1059372157.db2.gz CTBVRKLWGDTZKN-QHCPKHFHSA-N 1 0 542.658 2.731 20 0 KFADRO CCOc1ccc(CN(CCC[NH+](C)C)C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1OCC ZINC000514402641 1059371282 /nfs/dbraw/zinc/37/12/82/1059371282.db2.gz QGWOVTXXQYRCPP-UHFFFAOYSA-N 1 0 574.744 2.931 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)C2CCN(C(=O)C(C)C)CC2)c1 ZINC000514402939 1059369668 /nfs/dbraw/zinc/36/96/68/1059369668.db2.gz UDEIOTYMCUIVNI-UHFFFAOYSA-N 1 0 521.728 2.692 20 0 KFADRO C[NH+]1CCN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)N4CCc5sccc5C4)c3)cn2)CC1 ZINC000514403153 1059368375 /nfs/dbraw/zinc/36/83/75/1059368375.db2.gz WBBRMNGVXOIRNO-UHFFFAOYSA-N 1 0 511.673 2.572 20 0 KFADRO CCCCn1c(CCC(=O)NC2CC[NH+](C3CC3)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514403504 1059373403 /nfs/dbraw/zinc/37/34/03/1059373403.db2.gz ZUYKAHBBUGISIF-UHFFFAOYSA-N 1 0 517.696 2.533 20 0 KFADRO COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000514403513 1059373260 /nfs/dbraw/zinc/37/32/60/1059373260.db2.gz LGWSXFMMXGGXMF-FQEVSTJZSA-N 1 0 505.662 2.889 20 0 KFADRO COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000514403514 1059373474 /nfs/dbraw/zinc/37/34/74/1059373474.db2.gz LGWSXFMMXGGXMF-HXUWFJFHSA-N 1 0 505.662 2.889 20 0 KFADRO COCCN(C(=O)CSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514403532 1059378394 /nfs/dbraw/zinc/37/83/94/1059378394.db2.gz MBORBNBCZLZEHM-UHFFFAOYSA-N 1 0 601.774 2.788 20 0 KFADRO COc1ccc([C@@H](CNC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)[NH+]2CCCCC2)cc1 ZINC000514404999 1059409482 /nfs/dbraw/zinc/40/94/82/1059409482.db2.gz PRLNCXQSKQHHNI-AREMUKBSSA-N 1 0 511.642 2.734 20 0 KFADRO COc1ccc([C@H](CNC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)[NH+]2CCCCC2)cc1 ZINC000514405000 1059409576 /nfs/dbraw/zinc/40/95/76/1059409576.db2.gz PRLNCXQSKQHHNI-SANMLTNESA-N 1 0 511.642 2.734 20 0 KFADRO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2cc(OC)c3c(c2)OCCO3)c1 ZINC000514405221 1059379575 /nfs/dbraw/zinc/37/95/75/1059379575.db2.gz SFLHJEYENDPSAB-UHFFFAOYSA-N 1 0 532.663 2.891 20 0 KFADRO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000514405661 1059422833 /nfs/dbraw/zinc/42/28/33/1059422833.db2.gz XDCKXNJTHNJHDU-UHFFFAOYSA-N 1 0 521.083 2.881 20 0 KFADRO CCOc1cc(Br)c(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1OCC ZINC000514405774 1059420865 /nfs/dbraw/zinc/42/08/65/1059420865.db2.gz ZBRJNRVTBUKZKL-UHFFFAOYSA-N 1 0 503.401 2.815 20 0 KFADRO COc1ccc(Cl)cc1C1(CNC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CCOCC1 ZINC000521678544 1059425611 /nfs/dbraw/zinc/42/56/11/1059425611.db2.gz QNTYTFPUYUMCGH-UHFFFAOYSA-N 1 0 500.003 2.605 20 0 KFADRO CS(=O)(=O)NCCNC(=S)C(C(=O)c1ccc(Oc2ccccc2)cc1)[n+]1cccc(CO)c1 ZINC000727160761 1059473370 /nfs/dbraw/zinc/47/33/70/1059473370.db2.gz HAZIXRSCNGCJHE-UHFFFAOYSA-O 1 0 500.622 2.609 20 0 KFADRO CS(=O)(=O)CCNC(=S)C(C(=O)c1ccc(N2CCCC2=O)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000729670413 1059439176 /nfs/dbraw/zinc/43/91/76/1059439176.db2.gz FEZMSPYNIRJCIV-UHFFFAOYSA-O 1 0 500.666 2.825 20 0 KFADRO CS(=O)(=O)CCNC(=S)C(C(=O)c1cccc(N2CCCC2=O)c1)[n+]1ccc2c(c1)CCCC2 ZINC000729670510 1059439077 /nfs/dbraw/zinc/43/90/77/1059439077.db2.gz HOAKEKWSMDNJMD-UHFFFAOYSA-O 1 0 500.666 2.825 20 0 KFADRO CCOC(=O)c1c(C[NH3+])ncn1-c1nc2c(nc(Cl)nc2N2CCCCC2)c(N2CCCCC2)n1 ZINC001162531194 1059765190 /nfs/dbraw/zinc/76/51/90/1059765190.db2.gz SWQRIRUUFVOADX-UHFFFAOYSA-N 1 0 500.007 2.875 20 0 KFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164715924 720179946 /nfs/dbraw/zinc/17/99/46/720179946.db2.gz DPTGVBONMQBZBC-IBGZPJMESA-N 1 0 500.003 2.805 20 0 KFADRO CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164715925 720180248 /nfs/dbraw/zinc/18/02/48/720180248.db2.gz DPTGVBONMQBZBC-LJQANCHMSA-N 1 0 500.003 2.805 20 0 KFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164717675 720195088 /nfs/dbraw/zinc/19/50/88/720195088.db2.gz VYWDOMMCUMFUMS-FQEVSTJZSA-N 1 0 500.003 2.805 20 0 KFADRO CCOC(=O)c1ccc2nc(Cl)nc(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1 ZINC001164717677 720195355 /nfs/dbraw/zinc/19/53/55/720195355.db2.gz VYWDOMMCUMFUMS-HXUWFJFHSA-N 1 0 500.003 2.805 20 0 KFADRO COC(=O)c1cc2c(N(c3nc(N4CCOCC4)nc4c3CC[NH2+]CC4)C(C)C)[nH]c(Cl)cc-2n1 ZINC001165563976 1059765845 /nfs/dbraw/zinc/76/58/45/1059765845.db2.gz IIPZFUMJYWTBCG-UHFFFAOYSA-N 1 0 500.003 2.864 20 0 KFADRO CC(=O)CCN(CCNc1ccc(C(=O)NC2CC[NH+](C)CC2)nn1)c1nc2cc(Cl)ccc2o1 ZINC001170797353 1059483857 /nfs/dbraw/zinc/48/38/57/1059483857.db2.gz AYOQDYFNKXRILN-UHFFFAOYSA-N 1 0 500.003 2.993 20 0 KFADRO Cn1nnc2c1CCN(C(=O)CCc1nc(-c3cccc(Cl)c3)no1)[C@H]2COCC[NH+]1CCCC1 ZINC001176789746 1059547950 /nfs/dbraw/zinc/54/79/50/1059547950.db2.gz UXUNZSNJVADRQA-FQEVSTJZSA-N 1 0 500.003 2.690 20 0 KFADRO Cn1nnc2c1CCN(C(=O)CCc1nc(-c3cccc(Cl)c3)no1)[C@@H]2COCC[NH+]1CCCC1 ZINC001176789747 1059547972 /nfs/dbraw/zinc/54/79/72/1059547972.db2.gz UXUNZSNJVADRQA-HXUWFJFHSA-N 1 0 500.003 2.690 20 0 KFADRO CN1CC[N@H+](C)C[C@H]1C(=O)Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1 ZINC001185247129 1059548449 /nfs/dbraw/zinc/54/84/49/1059548449.db2.gz YUHGSGZXLJFJKE-FQEVSTJZSA-N 1 0 500.003 2.595 20 0 KFADRO CN1CC[N@H+](C)C[C@@H]1C(=O)Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1 ZINC001185247134 1059548342 /nfs/dbraw/zinc/54/83/42/1059548342.db2.gz YUHGSGZXLJFJKE-HXUWFJFHSA-N 1 0 500.003 2.595 20 0 KFADRO O=C(Oc1c2[nH]ccnc-2c(=O)n1-c1ccc(Cl)cn1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC001209452091 1059766380 /nfs/dbraw/zinc/76/63/80/1059766380.db2.gz CBDQLMAZOYABTF-HSZRJFAPSA-N 1 0 500.003 2.814 20 0 KFADRO O=C(Oc1c2[nH]ccnc-2c(=O)n1-c1ccc(Cl)cn1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC001209452092 1059766483 /nfs/dbraw/zinc/76/64/83/1059766483.db2.gz CBDQLMAZOYABTF-QHCPKHFHSA-N 1 0 500.003 2.814 20 0 KFADRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCc1nnc(-c2ccc(Cn3cc(Cl)cn3)cc2)o1 ZINC001217753585 1059766400 /nfs/dbraw/zinc/76/64/00/1059766400.db2.gz FKYITJRWXNUDIP-PMACEKPBSA-N 1 0 500.003 2.534 20 0 KFADRO O=C(CNC1CC[NH2+]CC1)Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1 ZINC001218644627 1059766924 /nfs/dbraw/zinc/76/69/24/1059766924.db2.gz YCULCCOYRVGOTO-UHFFFAOYSA-N 1 0 500.003 2.690 20 0 KFADRO [NH3+][C@@H](CCCCNC(=O)[C@@H]1CCc2nccn2C1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220739280 1059767019 /nfs/dbraw/zinc/76/70/19/1059767019.db2.gz RWRKEFIIMAOVSA-DHIYETBGSA-N 1 0 500.599 2.983 20 0 KFADRO [NH3+][C@@H](CCCCNC(=O)[C@H]1CCc2nccn2C1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220739281 1059766955 /nfs/dbraw/zinc/76/69/55/1059766955.db2.gz RWRKEFIIMAOVSA-LLIYUYTPSA-N 1 0 500.599 2.983 20 0 KFADRO [NH3+][C@@H](CCCCNC(=O)[C@H]1CCc2nccn2C1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220739282 1059766987 /nfs/dbraw/zinc/76/69/87/1059766987.db2.gz RWRKEFIIMAOVSA-MPQSRKKISA-N 1 0 500.599 2.983 20 0 KFADRO [NH3+][C@@H](CCCCNC(=O)[C@@H]1CCc2nccn2C1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001220739283 1059766862 /nfs/dbraw/zinc/76/68/62/1059766862.db2.gz RWRKEFIIMAOVSA-RPMAOODUSA-N 1 0 500.599 2.983 20 0 KFADRO [NH3+][C@@H](CCCCNS(=O)(=O)C1CCOCC1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001238733006 1059766826 /nfs/dbraw/zinc/76/68/26/1059766826.db2.gz BKGKMYYSXGIVJH-JYFHCDHNSA-N 1 0 500.617 2.506 20 0 KFADRO [NH3+][C@@H](CCCCNS(=O)(=O)C1CCOCC1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001238733016 1059766779 /nfs/dbraw/zinc/76/67/79/1059766779.db2.gz BKGKMYYSXGIVJH-OZXSUGGESA-N 1 0 500.617 2.506 20 0 KFADRO [NH3+][C@@H](CCCCNS(=O)(=O)C[C@H]1CCCO1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001238735969 1059767083 /nfs/dbraw/zinc/76/70/83/1059767083.db2.gz ZNMLZRQQHVFBQY-KXVHNFKESA-N 1 0 500.617 2.506 20 0 KFADRO [NH3+][C@@H](CCCCNS(=O)(=O)C[C@H]1CCCO1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001238735971 1059767755 /nfs/dbraw/zinc/76/77/55/1059767755.db2.gz ZNMLZRQQHVFBQY-LZECLLPCSA-N 1 0 500.617 2.506 20 0 KFADRO [NH3+][C@@H](CCCCNS(=O)(=O)C[C@@H]1CCCO1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001238735972 1059767798 /nfs/dbraw/zinc/76/77/98/1059767798.db2.gz ZNMLZRQQHVFBQY-QFMFQJCFSA-N 1 0 500.617 2.506 20 0 KFADRO [NH3+][C@@H](CCCCNS(=O)(=O)C[C@@H]1CCCO1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21 ZINC001238735974 1059767715 /nfs/dbraw/zinc/76/77/15/1059767715.db2.gz ZNMLZRQQHVFBQY-WMDMVVLCSA-N 1 0 500.617 2.506 20 0 KFADRO CC(C)[C@@H]1C[C@@H](N2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC[NH2+]1 ZINC001246872761 1059767627 /nfs/dbraw/zinc/76/76/27/1059767627.db2.gz CHSXZDHMDWDDQV-BSRJHKFKSA-N 1 0 500.003 2.715 20 0 KFADRO CC(C)[C@@H]1C[C@H](N2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC[NH2+]1 ZINC001246872765 1059767543 /nfs/dbraw/zinc/76/75/43/1059767543.db2.gz CHSXZDHMDWDDQV-IEGUWTFLSA-N 1 0 500.003 2.715 20 0 KFADRO CC(C)[C@@H]1C[C@@H](N2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC[NH2+]1 ZINC001246872767 1059767693 /nfs/dbraw/zinc/76/76/93/1059767693.db2.gz CHSXZDHMDWDDQV-IUKKYPGJSA-N 1 0 500.003 2.715 20 0 KFADRO CC(C)[C@@H]1C[C@H](N2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC[NH2+]1 ZINC001246872768 1059767645 /nfs/dbraw/zinc/76/76/45/1059767645.db2.gz CHSXZDHMDWDDQV-STSQHVNTSA-N 1 0 500.003 2.715 20 0 KFADRO CC1(C)O[C@@H]2[C@@H](C[NH3+])O[C@@H](n3cnc4c3ncnc4NC3CCN(c4ccc(Cl)cc4)CC3)[C@@H]2O1 ZINC001256302006 1059767665 /nfs/dbraw/zinc/76/76/65/1059767665.db2.gz RZKHRBDHMDLANK-ZDXOVATRSA-N 1 0 500.003 2.937 20 0 KFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC1 ZINC001257221770 1059767563 /nfs/dbraw/zinc/76/75/63/1059767563.db2.gz HETQLYCSOKUMEO-HSZRJFAPSA-N 1 0 500.003 2.811 20 0 KFADRO CC(C)[NH+]1CCC(N2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC1 ZINC001257221771 1059768281 /nfs/dbraw/zinc/76/82/81/1059768281.db2.gz HETQLYCSOKUMEO-QHCPKHFHSA-N 1 0 500.003 2.811 20 0 KFADRO CC1(C)O[C@@H]2[C@@H](C[NH3+])O[C@@H](n3cnc4c3ncnc4NC3CCN(c4ccccc4Cl)CC3)[C@@H]2O1 ZINC001258537359 1059768350 /nfs/dbraw/zinc/76/83/50/1059768350.db2.gz LBAOACHEJKBTSF-ZDXOVATRSA-N 1 0 500.003 2.937 20 0 KFADRO CCC[NH+]1CCC(N2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC1 ZINC001258775733 1059768299 /nfs/dbraw/zinc/76/82/99/1059768299.db2.gz BQIVNHCHWJRWRI-HSZRJFAPSA-N 1 0 500.003 2.813 20 0 KFADRO CCC[NH+]1CCC(N2CCN(C(=O)Oc3c4[nH]ccnc-4c(=O)n3-c3ccc(Cl)cn3)CC2)CC1 ZINC001258775734 1059768403 /nfs/dbraw/zinc/76/84/03/1059768403.db2.gz BQIVNHCHWJRWRI-QHCPKHFHSA-N 1 0 500.003 2.813 20 0 KFADRO CCOc1ccc(C(=O)C(C(=S)NCc2ccc(S(N)(=O)=O)cc2)[n+]2cccc(CO)c2)cc1 ZINC001325685317 1059768426 /nfs/dbraw/zinc/76/84/26/1059768426.db2.gz PXXZCPBEWANLLA-UHFFFAOYSA-O 1 0 500.622 2.514 20 0 KFADRO