smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCOCC2)nc(SCC(=O)c2sc3nc(N4CCOCC4)cc(C)[n+]3c2[O-])[nH+]1 ZINC000003078709 552285292 /nfs/dbraw/zinc/28/52/92/552285292.db2.gz IXQYCVYUDDBNBI-UHFFFAOYSA-O 1 2 503.630 1.642 40 0 KDABLO CN(C)c1ccc(C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2nnnc2Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000004147824 291703362 /nfs/dbraw/zinc/70/33/62/291703362.db2.gz QBLPMDKTFHIPAD-MYDTUXCISA-N 1 2 502.535 1.854 40 0 biogenic,in-vitro KDABLO Cc1ccc(S(=O)(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2nnnc2Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000004147857 552442877 /nfs/dbraw/zinc/44/28/77/552442877.db2.gz OCGRSIDSUWMHIZ-FNAHDJPLSA-N 1 2 509.548 1.645 40 0 biogenic,in-vitro KDABLO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2nnnc2Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000004147859 552442955 /nfs/dbraw/zinc/44/29/55/552442955.db2.gz VBYMQBXWAPZYME-MYDTUXCISA-N 1 2 552.573 1.295 40 0 biogenic,in-vitro KDABLO O=S(=O)(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccc(-n2cc[nH+]c2)cc1)c1cccc2cccnc21 ZINC000004147873 291730008 /nfs/dbraw/zinc/73/00/08/291730008.db2.gz OJYFQDXLRVFASR-UWXQAFAOSA-N 1 2 546.569 1.885 40 0 biogenic,in-vitro KDABLO O=S(=O)(N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccc(-n2cc[nH+]c2)cc1)c1cccs1 ZINC000004147877 552442973 /nfs/dbraw/zinc/44/29/73/552442973.db2.gz OCZHEWULGYTGAI-RNIPGJKVSA-N 1 2 501.550 1.398 40 0 biogenic,in-vitro KDABLO O=S(=O)(Cc1ccccc1)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000004147879 552442856 /nfs/dbraw/zinc/44/28/56/552442856.db2.gz IOFBEPMVXRJCDB-FNAHDJPLSA-N 1 2 509.548 1.478 40 0 biogenic,in-vitro KDABLO COC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460397 552502581 /nfs/dbraw/zinc/50/25/81/552502581.db2.gz LUFBUJPRIKZREA-FGZHOGPDSA-N 1 2 524.530 1.947 40 0 KDABLO COC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460397 552502580 /nfs/dbraw/zinc/50/25/80/552502580.db2.gz LUFBUJPRIKZREA-FGZHOGPDSA-N 1 2 524.530 1.947 40 0 KDABLO COC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460403 552502611 /nfs/dbraw/zinc/50/26/11/552502611.db2.gz LUFBUJPRIKZREA-FCHUYYIVSA-N 1 2 524.530 1.947 40 0 KDABLO COC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460403 552502609 /nfs/dbraw/zinc/50/26/09/552502609.db2.gz LUFBUJPRIKZREA-FCHUYYIVSA-N 1 2 524.530 1.947 40 0 KDABLO COC(=O)[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460412 552502654 /nfs/dbraw/zinc/50/26/54/552502654.db2.gz LUFBUJPRIKZREA-YADHBBJMSA-N 1 2 524.530 1.947 40 0 KDABLO COC(=O)[C@@H](CO)NC(=O)[C@H](Cc1c[nH+]c[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460412 552502652 /nfs/dbraw/zinc/50/26/52/552502652.db2.gz LUFBUJPRIKZREA-YADHBBJMSA-N 1 2 524.530 1.947 40 0 KDABLO COC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460419 552502588 /nfs/dbraw/zinc/50/25/88/552502588.db2.gz LUFBUJPRIKZREA-VXKWHMMOSA-N 1 2 524.530 1.947 40 0 KDABLO COC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH+]c[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460419 552502586 /nfs/dbraw/zinc/50/25/86/552502586.db2.gz LUFBUJPRIKZREA-VXKWHMMOSA-N 1 2 524.530 1.947 40 0 KDABLO CCOC(=O)CCC[C@@H](NC(=O)c1ccc(N2CCN(c3c(N)nc(N)[nH+]c3NC)CC2)cc1)C(=O)OCC ZINC000005544973 552504586 /nfs/dbraw/zinc/50/45/86/552504586.db2.gz OLDKTQQMJBVUBD-LJQANCHMSA-N 1 2 542.641 1.404 40 0 KDABLO CCOC(=O)CCC[C@@H](NC(=O)c1ccc(N2CCN(c3c(N)[nH+]c(N)nc3NC)CC2)cc1)C(=O)OCC ZINC000005544973 552504584 /nfs/dbraw/zinc/50/45/84/552504584.db2.gz OLDKTQQMJBVUBD-LJQANCHMSA-N 1 2 542.641 1.404 40 0 KDABLO CN1CCN(S(=O)(=O)c2ccc(Sc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC000006061568 552521295 /nfs/dbraw/zinc/52/12/95/552521295.db2.gz LUNRXDIMCJRBAR-UHFFFAOYSA-N 1 2 510.707 1.710 40 0 KDABLO COc1cc2cc(CN(CCCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1OC ZINC000006239381 552572711 /nfs/dbraw/zinc/57/27/11/552572711.db2.gz FREMXPOEOKKLSQ-UHFFFAOYSA-N 1 2 547.722 1.666 40 0 KDABLO CCOC(=O)CCC[C@H](NC(=O)c1ccc(N2CCN(c3c(N)nc(N)[nH+]c3NC)CC2)cc1)C(=O)OCC ZINC000008652731 553107785 /nfs/dbraw/zinc/10/77/85/553107785.db2.gz OLDKTQQMJBVUBD-IBGZPJMESA-N 1 2 542.641 1.404 40 0 KDABLO CCOC(=O)CCC[C@H](NC(=O)c1ccc(N2CCN(c3c(N)[nH+]c(N)nc3NC)CC2)cc1)C(=O)OCC ZINC000008652731 553107781 /nfs/dbraw/zinc/10/77/81/553107781.db2.gz OLDKTQQMJBVUBD-IBGZPJMESA-N 1 2 542.641 1.404 40 0 KDABLO Cn1c2nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000009526059 553277077 /nfs/dbraw/zinc/27/70/77/553277077.db2.gz TXSPGHJHRNOOLR-UHFFFAOYSA-N 1 2 506.538 1.672 40 0 KDABLO CCS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCCO2 ZINC000014400856 553515462 /nfs/dbraw/zinc/51/54/62/553515462.db2.gz LPPYYELCSQZKDZ-UHFFFAOYSA-N 1 2 503.577 1.687 40 0 KDABLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O ZINC000015721523 553534667 /nfs/dbraw/zinc/53/46/67/553534667.db2.gz ZHAGGRWTJXROKV-HJOGWXRNSA-N 1 2 505.575 1.085 40 0 KDABLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O ZINC000015721523 553534665 /nfs/dbraw/zinc/53/46/65/553534665.db2.gz ZHAGGRWTJXROKV-HJOGWXRNSA-N 1 2 505.575 1.085 40 0 KDABLO CN1CCN(C(=O)C(Sc2nnc(-c3cccnc3)n2-c2ccccc2)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000016189052 553556106 /nfs/dbraw/zinc/55/61/06/553556106.db2.gz DSHQYGVRBYTOLV-UHFFFAOYSA-N 1 2 520.663 1.338 40 0 KDABLO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000019817878 553618792 /nfs/dbraw/zinc/61/87/92/553618792.db2.gz IYIHBAVTOIHFAV-DNQXCXABSA-N 1 2 524.574 1.957 40 0 KDABLO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=[NH+][C@@H]1c1ccc(OC)cc1OC ZINC000019817881 553619029 /nfs/dbraw/zinc/61/90/29/553619029.db2.gz IYIHBAVTOIHFAV-BJKOFHAPSA-N 1 2 524.574 1.957 40 0 KDABLO CCOC(=O)[C@H]1C([O-])=NC(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000019817884 553619130 /nfs/dbraw/zinc/61/91/30/553619130.db2.gz IYIHBAVTOIHFAV-RPWUZVMVSA-N 1 2 524.574 1.957 40 0 KDABLO CCOC(=O)[C@@H]1C([O-])=NC(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)=[NH+][C@H]1c1ccc(OC)cc1OC ZINC000019817886 553619195 /nfs/dbraw/zinc/61/91/95/553619195.db2.gz IYIHBAVTOIHFAV-ZEQRLZLVSA-N 1 2 524.574 1.957 40 0 KDABLO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(Cl)c1 ZINC000019818626 553619508 /nfs/dbraw/zinc/61/95/08/553619508.db2.gz YAJHLSPSJKRLQA-NRFANRHFSA-N 1 2 528.009 1.542 40 0 KDABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(Cl)c1 ZINC000019818627 553619386 /nfs/dbraw/zinc/61/93/86/553619386.db2.gz YAJHLSPSJKRLQA-OAQYLSRUSA-N 1 2 528.009 1.542 40 0 KDABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000019818671 553619463 /nfs/dbraw/zinc/61/94/63/553619463.db2.gz ISZFMHKEYCBIHP-IBGZPJMESA-N 1 2 504.513 1.578 40 0 KDABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000019818672 553619349 /nfs/dbraw/zinc/61/93/49/553619349.db2.gz ISZFMHKEYCBIHP-LJQANCHMSA-N 1 2 504.513 1.578 40 0 KDABLO CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000019818687 553619408 /nfs/dbraw/zinc/61/94/08/553619408.db2.gz HVYHHMYDTRDULO-DEOSSOPVSA-N 1 2 509.607 1.572 40 0 KDABLO CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000019818688 553619515 /nfs/dbraw/zinc/61/95/15/553619515.db2.gz HVYHHMYDTRDULO-XMMPIXPASA-N 1 2 509.607 1.572 40 0 KDABLO CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000019818689 553619332 /nfs/dbraw/zinc/61/93/32/553619332.db2.gz GKBFUGQDFKJWJU-QHCPKHFHSA-N 1 2 509.607 1.572 40 0 KDABLO CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000019818690 553619445 /nfs/dbraw/zinc/61/94/45/553619445.db2.gz GKBFUGQDFKJWJU-HSZRJFAPSA-N 1 2 509.607 1.572 40 0 KDABLO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1Cl ZINC000019820926 553620209 /nfs/dbraw/zinc/62/02/09/553620209.db2.gz UXHVBMCTPLIKBM-NRFANRHFSA-N 1 2 528.009 1.542 40 0 KDABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccccc1Cl ZINC000019820928 553620237 /nfs/dbraw/zinc/62/02/37/553620237.db2.gz UXHVBMCTPLIKBM-OAQYLSRUSA-N 1 2 528.009 1.542 40 0 KDABLO Cc1cc(C)cc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019820999 553620329 /nfs/dbraw/zinc/62/03/29/553620329.db2.gz NRLBAHPXXPFYBV-QHCPKHFHSA-N 1 2 521.618 1.506 40 0 KDABLO Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019821001 553620381 /nfs/dbraw/zinc/62/03/81/553620381.db2.gz NRLBAHPXXPFYBV-HSZRJFAPSA-N 1 2 521.618 1.506 40 0 KDABLO Cc1ccc2cc(CN(CCCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000019822660 553620231 /nfs/dbraw/zinc/62/02/31/553620231.db2.gz NLNQZVJCPHSKGY-UHFFFAOYSA-N 1 2 501.697 1.958 40 0 KDABLO Cc1cccc2cc(CN(CCCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c12 ZINC000019822782 553620351 /nfs/dbraw/zinc/62/03/51/553620351.db2.gz JDCWDCGBFSCIBL-UHFFFAOYSA-N 1 2 501.697 1.958 40 0 KDABLO CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019822956 553620374 /nfs/dbraw/zinc/62/03/74/553620374.db2.gz SOPAQBYCEJWQQI-UHFFFAOYSA-N 1 2 501.697 1.822 40 0 KDABLO Cc1ccc2cc(CN(CCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1C ZINC000019823454 553620730 /nfs/dbraw/zinc/62/07/30/553620730.db2.gz QZSFOTDYNGVLDR-UHFFFAOYSA-N 1 2 501.697 1.876 40 0 KDABLO Cc1cc(C)c2cc(CN(CCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000019823603 553620549 /nfs/dbraw/zinc/62/05/49/553620549.db2.gz FOYGRNKTBZOPDS-UHFFFAOYSA-N 1 2 501.697 1.876 40 0 KDABLO Cc1cc(C)c2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019823865 553620738 /nfs/dbraw/zinc/62/07/38/553620738.db2.gz JQXMBDPTHJGUOZ-UHFFFAOYSA-N 1 2 501.697 1.876 40 0 KDABLO Cc1cc2cc(CN(CCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1C ZINC000019824307 553620886 /nfs/dbraw/zinc/62/08/86/553620886.db2.gz KDZMXKUXFAPZAQ-UHFFFAOYSA-N 1 2 501.697 1.876 40 0 KDABLO CCOc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019824474 553620986 /nfs/dbraw/zinc/62/09/86/553620986.db2.gz FKXSGBAIEVDNJH-UHFFFAOYSA-N 1 2 517.696 1.658 40 0 KDABLO COc1ccc2cc(CN(CCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000019824662 553620936 /nfs/dbraw/zinc/62/09/36/553620936.db2.gz NJCCIYYBGVDOAJ-UHFFFAOYSA-N 1 2 503.669 1.268 40 0 KDABLO COc1ccc2cc(CN(CCCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000019824726 553620964 /nfs/dbraw/zinc/62/09/64/553620964.db2.gz KGTSVAZGTORCCS-UHFFFAOYSA-N 1 2 517.696 1.658 40 0 KDABLO COc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019824919 553620929 /nfs/dbraw/zinc/62/09/29/553620929.db2.gz OCMQOYFMPRFIMS-UHFFFAOYSA-N 1 2 517.696 1.658 40 0 KDABLO O=c1[nH]c2cc3c(cc2cc1CN(CCCN1CCOCC1)C(=S)NCCC[NH+]1CCOCC1)OCO3 ZINC000019940503 553639495 /nfs/dbraw/zinc/63/94/95/553639495.db2.gz XLKCLZWVUCRFQC-UHFFFAOYSA-N 1 2 531.679 1.378 40 0 KDABLO O=c1[nH]c2cc3c(cc2cc1CN(CCN1CCOCC1)C(=S)NCCC[NH+]1CCOCC1)OCCO3 ZINC000019940535 553639417 /nfs/dbraw/zinc/63/94/17/553639417.db2.gz HXROPDAYSIIPAX-UHFFFAOYSA-N 1 2 531.679 1.030 40 0 KDABLO COc1cc2cc(CN(CCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2cc1OC ZINC000019941016 553642116 /nfs/dbraw/zinc/64/21/16/553642116.db2.gz CSVXNZYXUYJBQV-UHFFFAOYSA-N 1 2 533.695 1.276 40 0 KDABLO Cc1ccc([C@H](C(=O)NC(C)(C)C)N(CCC[NH+]2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000019941056 553642528 /nfs/dbraw/zinc/64/25/28/553642528.db2.gz STSSECTWCXRNFY-HXUWFJFHSA-N 1 2 516.668 1.953 40 0 KDABLO Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(CCC[NH+]2CCOCC2)C(=O)c2snc(C(N)=O)c2N)cc1 ZINC000019941057 553642489 /nfs/dbraw/zinc/64/24/89/553642489.db2.gz STSSECTWCXRNFY-FQEVSTJZSA-N 1 2 516.668 1.953 40 0 KDABLO CCc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019961869 553649003 /nfs/dbraw/zinc/64/90/03/553649003.db2.gz FWCOMWYXWZPYCV-QHCPKHFHSA-N 1 2 521.618 1.451 40 0 KDABLO CCc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019961872 553649017 /nfs/dbraw/zinc/64/90/17/553649017.db2.gz FWCOMWYXWZPYCV-HSZRJFAPSA-N 1 2 521.618 1.451 40 0 KDABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000019961949 553649064 /nfs/dbraw/zinc/64/90/64/553649064.db2.gz HFSPXRIAIYIGDS-IBGZPJMESA-N 1 2 505.406 1.866 40 0 KDABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000019961951 553649075 /nfs/dbraw/zinc/64/90/75/553649075.db2.gz HFSPXRIAIYIGDS-LJQANCHMSA-N 1 2 505.406 1.866 40 0 KDABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccco2)CC1)OCO3 ZINC000020084317 553685828 /nfs/dbraw/zinc/68/58/28/553685828.db2.gz PAWHLWBDRDWWJJ-YADARESESA-N 1 2 519.562 1.923 40 0 KDABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccco2)CC1)OCO3 ZINC000020084322 553685806 /nfs/dbraw/zinc/68/58/06/553685806.db2.gz PAWHLWBDRDWWJJ-CYFREDJKSA-N 1 2 519.562 1.923 40 0 KDABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](Cc2ccco2)CC1)OCO3 ZINC000020084325 553685858 /nfs/dbraw/zinc/68/58/58/553685858.db2.gz PAWHLWBDRDWWJJ-NTKDMRAZSA-N 1 2 519.562 1.923 40 0 KDABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](Cc2ccco2)CC1)OCO3 ZINC000020084328 553686083 /nfs/dbraw/zinc/68/60/83/553686083.db2.gz PAWHLWBDRDWWJJ-DVECYGJZSA-N 1 2 519.562 1.923 40 0 KDABLO COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000020465450 553656792 /nfs/dbraw/zinc/65/67/92/553656792.db2.gz IWHDVNNHEDXIMP-WZYRSQIMSA-N 1 2 509.525 1.755 40 0 biogenic,in-vitro KDABLO O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccs1 ZINC000020465456 553656648 /nfs/dbraw/zinc/65/66/48/553656648.db2.gz XSFHRUPKBXMDDV-LCLWPZTBSA-N 1 2 521.583 1.357 40 0 biogenic,in-vitro KDABLO O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000020465459 553656855 /nfs/dbraw/zinc/65/68/55/553656855.db2.gz BIMCYXIFJMOZHB-CLAROIROSA-N 1 2 515.554 1.295 40 0 biogenic,in-vitro KDABLO COc1ccccc1N1CC[NH+]([C@H]2[C@@H](CNC(=O)c3ccc(C(F)(F)F)cc3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465521 553656830 /nfs/dbraw/zinc/65/68/30/553656830.db2.gz APBAOXYHVDAKKB-WZYRSQIMSA-N 1 2 509.525 1.755 40 0 biogenic,in-vitro KDABLO Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020638786 553681493 /nfs/dbraw/zinc/68/14/93/553681493.db2.gz BVIHECXHKWZDLS-QFIPXVFZSA-N 1 2 507.591 1.197 40 0 KDABLO Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020638791 553681459 /nfs/dbraw/zinc/68/14/59/553681459.db2.gz BVIHECXHKWZDLS-JOCHJYFZSA-N 1 2 507.591 1.197 40 0 KDABLO Cc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020638955 553681390 /nfs/dbraw/zinc/68/13/90/553681390.db2.gz BTUYHYLZGBPRIX-QFIPXVFZSA-N 1 2 507.591 1.197 40 0 KDABLO Cc1ccccc1NC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020638958 553681497 /nfs/dbraw/zinc/68/14/97/553681497.db2.gz BTUYHYLZGBPRIX-JOCHJYFZSA-N 1 2 507.591 1.197 40 0 KDABLO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Cl)cc1 ZINC000020676542 553687414 /nfs/dbraw/zinc/68/74/14/553687414.db2.gz INBGWBUFMNCIKL-NRFANRHFSA-N 1 2 528.009 1.542 40 0 KDABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Cl)cc1 ZINC000020676548 553687429 /nfs/dbraw/zinc/68/74/29/553687429.db2.gz INBGWBUFMNCIKL-OAQYLSRUSA-N 1 2 528.009 1.542 40 0 KDABLO CCc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020676796 553687462 /nfs/dbraw/zinc/68/74/62/553687462.db2.gz DUJOILKKLDPXMF-QHCPKHFHSA-N 1 2 521.618 1.451 40 0 KDABLO CCc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020676801 553687292 /nfs/dbraw/zinc/68/72/92/553687292.db2.gz DUJOILKKLDPXMF-HSZRJFAPSA-N 1 2 521.618 1.451 40 0 KDABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000020676887 553687342 /nfs/dbraw/zinc/68/73/42/553687342.db2.gz GFOVADPGYZJPNX-NRFANRHFSA-N 1 2 514.424 1.927 40 0 KDABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000020676892 553687269 /nfs/dbraw/zinc/68/72/69/553687269.db2.gz GFOVADPGYZJPNX-OAQYLSRUSA-N 1 2 514.424 1.927 40 0 KDABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Br)cc1 ZINC000020802853 553698551 /nfs/dbraw/zinc/69/85/51/553698551.db2.gz ARPCVUWOZSIANT-IBGZPJMESA-N 1 2 515.412 1.322 40 0 KDABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(Br)cc1 ZINC000020802857 553698561 /nfs/dbraw/zinc/69/85/61/553698561.db2.gz ARPCVUWOZSIANT-LJQANCHMSA-N 1 2 515.412 1.322 40 0 KDABLO Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000020802943 553698631 /nfs/dbraw/zinc/69/86/31/553698631.db2.gz FMQYXLJEYNAWBV-QHCPKHFHSA-N 1 2 521.618 1.506 40 0 KDABLO Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000020802947 553698572 /nfs/dbraw/zinc/69/85/72/553698572.db2.gz FMQYXLJEYNAWBV-HSZRJFAPSA-N 1 2 521.618 1.506 40 0 KDABLO O=C(CN1C(=O)c2cccc3cccc(c32)C1=O)N1CC[NH+](CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)CC1 ZINC000020842085 553699170 /nfs/dbraw/zinc/69/91/70/553699170.db2.gz XTDHEOGJUOXHII-JHFSOIRNSA-N 1 2 512.566 1.387 40 0 KDABLO Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000022609499 553747813 /nfs/dbraw/zinc/74/78/13/553747813.db2.gz WYXCXHHTQYUORS-QHCPKHFHSA-N 1 2 521.618 1.506 40 0 KDABLO Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000022609503 553747948 /nfs/dbraw/zinc/74/79/48/553747948.db2.gz WYXCXHHTQYUORS-HSZRJFAPSA-N 1 2 521.618 1.506 40 0 KDABLO COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000022609725 553748154 /nfs/dbraw/zinc/74/81/54/553748154.db2.gz RNJFGHRTIJPHLY-QFIPXVFZSA-N 1 2 513.570 1.321 40 0 KDABLO COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000022609729 553748159 /nfs/dbraw/zinc/74/81/59/553748159.db2.gz RNJFGHRTIJPHLY-JOCHJYFZSA-N 1 2 513.570 1.321 40 0 KDABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3cc(OC)ccc3OC)CC2)c1 ZINC000022609742 553748214 /nfs/dbraw/zinc/74/82/14/553748214.db2.gz VAVOHOFXYYDXTO-QHCPKHFHSA-N 1 2 525.606 1.190 40 0 KDABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3cc(OC)ccc3OC)CC2)c1 ZINC000022609747 553748228 /nfs/dbraw/zinc/74/82/28/553748228.db2.gz VAVOHOFXYYDXTO-HSZRJFAPSA-N 1 2 525.606 1.190 40 0 KDABLO COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000022609752 553748225 /nfs/dbraw/zinc/74/82/25/553748225.db2.gz JNMJTJAZAHHGAD-QFIPXVFZSA-N 1 2 525.606 1.190 40 0 KDABLO COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000022609756 553748163 /nfs/dbraw/zinc/74/81/63/553748163.db2.gz JNMJTJAZAHHGAD-JOCHJYFZSA-N 1 2 525.606 1.190 40 0 KDABLO COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000022609785 553748232 /nfs/dbraw/zinc/74/82/32/553748232.db2.gz DRZWPLDVOKMIRR-QFIPXVFZSA-N 1 2 530.025 1.835 40 0 KDABLO COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000022609790 553748211 /nfs/dbraw/zinc/74/82/11/553748211.db2.gz DRZWPLDVOKMIRR-JOCHJYFZSA-N 1 2 530.025 1.835 40 0 KDABLO COc1ccc(OC)c(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000022609794 553748216 /nfs/dbraw/zinc/74/82/16/553748216.db2.gz ALCUWCMTXBEAEJ-QFIPXVFZSA-N 1 2 530.025 1.835 40 0 KDABLO COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000022609798 553748221 /nfs/dbraw/zinc/74/82/21/553748221.db2.gz ALCUWCMTXBEAEJ-JOCHJYFZSA-N 1 2 530.025 1.835 40 0 KDABLO O=c1[nH]c(=S)[nH]c2c1CN(CCCN1CC[NH+](CCCN3CNc4[nH]c(=S)[nH]c(=O)c4C3)CC1)CN2 ZINC000022795742 553750867 /nfs/dbraw/zinc/75/08/67/553750867.db2.gz YCCSLVYARLVHRE-UHFFFAOYSA-N 1 2 534.716 1.059 40 0 KDABLO COCCn1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022867513 553764166 /nfs/dbraw/zinc/76/41/66/553764166.db2.gz MRFZPKXZAGDHEF-RUZDIDTESA-N 1 2 533.589 1.806 40 0 KDABLO COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022867519 553764174 /nfs/dbraw/zinc/76/41/74/553764174.db2.gz MIOONGGUEMOGJO-RUZDIDTESA-N 1 2 547.572 1.526 40 0 KDABLO COCCn1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022867530 553764144 /nfs/dbraw/zinc/76/41/44/553764144.db2.gz MRFZPKXZAGDHEF-VWLOTQADSA-N 1 2 533.589 1.806 40 0 KDABLO COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022867536 553764163 /nfs/dbraw/zinc/76/41/63/553764163.db2.gz MIOONGGUEMOGJO-VWLOTQADSA-N 1 2 547.572 1.526 40 0 KDABLO C[N@H+]1[C@@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCc2ccccc21 ZINC000022922771 553767082 /nfs/dbraw/zinc/76/70/82/553767082.db2.gz ZGCBYNALIDGGCI-NZJKTDFXSA-N 1 2 510.660 1.833 40 0 biogenic,in-vitro KDABLO C[N@@H+]1[C@@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCc2ccccc21 ZINC000022922771 553767080 /nfs/dbraw/zinc/76/70/80/553767080.db2.gz ZGCBYNALIDGGCI-NZJKTDFXSA-N 1 2 510.660 1.833 40 0 biogenic,in-vitro KDABLO C[N@H+]1[C@@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000022922864 553767093 /nfs/dbraw/zinc/76/70/93/553767093.db2.gz UITBBTXVKKIVBP-PWWKTKHKSA-N 1 2 516.639 1.699 40 0 biogenic,in-vitro KDABLO C[N@@H+]1[C@@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000022922864 553767091 /nfs/dbraw/zinc/76/70/91/553767091.db2.gz UITBBTXVKKIVBP-PWWKTKHKSA-N 1 2 516.639 1.699 40 0 biogenic,in-vitro KDABLO C[N@H+]1[C@@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000022923121 553767177 /nfs/dbraw/zinc/76/71/77/553767177.db2.gz YNZZRWITXYPELN-ZEYPLWLESA-N 1 2 504.678 1.621 40 0 biogenic,in-vitro KDABLO C[N@@H+]1[C@@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1 ZINC000022923121 553767175 /nfs/dbraw/zinc/76/71/75/553767175.db2.gz YNZZRWITXYPELN-ZEYPLWLESA-N 1 2 504.678 1.621 40 0 biogenic,in-vitro KDABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000023510917 553787169 /nfs/dbraw/zinc/78/71/69/553787169.db2.gz JIMBEMLAECOCAK-UHFFFAOYSA-N 1 2 503.577 1.403 40 0 KDABLO Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000026100154 553814483 /nfs/dbraw/zinc/81/44/83/553814483.db2.gz GUKYSVXBIDRHIE-UHFFFAOYSA-N 1 2 501.697 1.958 40 0 KDABLO CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CC[NH+](CCO)CC4)ccc3OCC)nn12 ZINC000028357928 553841884 /nfs/dbraw/zinc/84/18/84/553841884.db2.gz KZFHUILKKFVOMB-UHFFFAOYSA-N 1 2 504.613 1.043 40 0 in-vitro KDABLO O=C(CN1C(=O)c2cccc3cccc(c32)C1=O)N1CC[NH+](CCN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)CC1 ZINC000035938092 554101757 /nfs/dbraw/zinc/10/17/57/554101757.db2.gz XTDHEOGJUOXHII-VHQMJQKASA-N 1 2 512.566 1.387 40 0 KDABLO CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036296049 554211388 /nfs/dbraw/zinc/21/13/88/554211388.db2.gz IKFSWZQMRRKGCB-UHFFFAOYSA-N 1 2 504.638 1.903 40 0 KDABLO CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000036296060 554211358 /nfs/dbraw/zinc/21/13/58/554211358.db2.gz BUMOAENNCQGXKE-UHFFFAOYSA-N 1 2 505.626 1.928 40 0 KDABLO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000038784296 554277552 /nfs/dbraw/zinc/27/75/52/554277552.db2.gz ZURJHYBHIRFWAA-HSZRJFAPSA-N 1 2 507.591 1.341 40 0 KDABLO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000038784298 554277566 /nfs/dbraw/zinc/27/75/66/554277566.db2.gz ZURJHYBHIRFWAA-QHCPKHFHSA-N 1 2 507.591 1.341 40 0 KDABLO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000038784300 554277579 /nfs/dbraw/zinc/27/75/79/554277579.db2.gz IPZYIOLVQQLEDC-HSZRJFAPSA-N 1 2 525.581 1.480 40 0 KDABLO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000038784302 554277556 /nfs/dbraw/zinc/27/75/56/554277556.db2.gz IPZYIOLVQQLEDC-QHCPKHFHSA-N 1 2 525.581 1.480 40 0 KDABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(C(C)=O)cc3)CC2)c1 ZINC000038784331 554277533 /nfs/dbraw/zinc/27/75/33/554277533.db2.gz MQLDPIBDLDGJIB-XMMPIXPASA-N 1 2 507.591 1.376 40 0 KDABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(C(C)=O)cc3)CC2)c1 ZINC000038784334 554277545 /nfs/dbraw/zinc/27/75/45/554277545.db2.gz MQLDPIBDLDGJIB-DEOSSOPVSA-N 1 2 507.591 1.376 40 0 KDABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000038784336 554277635 /nfs/dbraw/zinc/27/76/35/554277635.db2.gz DYQRJBIPEBWQCF-HSZRJFAPSA-N 1 2 507.591 1.376 40 0 KDABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000038784339 554277613 /nfs/dbraw/zinc/27/76/13/554277613.db2.gz DYQRJBIPEBWQCF-QHCPKHFHSA-N 1 2 507.591 1.376 40 0 KDABLO CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000038784364 554277619 /nfs/dbraw/zinc/27/76/19/554277619.db2.gz NBYHKFCZRZVJDX-HSZRJFAPSA-N 1 2 510.570 1.262 40 0 KDABLO CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000038784369 554277524 /nfs/dbraw/zinc/27/75/24/554277524.db2.gz NBYHKFCZRZVJDX-QHCPKHFHSA-N 1 2 510.570 1.262 40 0 KDABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000038784372 554277541 /nfs/dbraw/zinc/27/75/41/554277541.db2.gz MSPWRBWKFJNDSG-XMMPIXPASA-N 1 2 522.606 1.131 40 0 KDABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(NC(C)=O)cc3)CC2)c1 ZINC000038784375 554277627 /nfs/dbraw/zinc/27/76/27/554277627.db2.gz MSPWRBWKFJNDSG-DEOSSOPVSA-N 1 2 522.606 1.131 40 0 KDABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000038784379 554277652 /nfs/dbraw/zinc/27/76/52/554277652.db2.gz OZATXXPTICEFLP-HSZRJFAPSA-N 1 2 522.606 1.131 40 0 KDABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000038784382 554277919 /nfs/dbraw/zinc/27/79/19/554277919.db2.gz OZATXXPTICEFLP-QHCPKHFHSA-N 1 2 522.606 1.131 40 0 KDABLO CC(=O)Nc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000038784399 554277891 /nfs/dbraw/zinc/27/78/91/554277891.db2.gz KPSNSENMSBKCPP-HSZRJFAPSA-N 1 2 527.025 1.776 40 0 KDABLO CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000038784403 554277839 /nfs/dbraw/zinc/27/78/39/554277839.db2.gz KPSNSENMSBKCPP-QHCPKHFHSA-N 1 2 527.025 1.776 40 0 KDABLO Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000059781902 554430253 /nfs/dbraw/zinc/43/02/53/554430253.db2.gz BHQHXVHXQRJSCC-JOCHJYFZSA-N 1 2 542.036 1.851 40 0 KDABLO Cc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000059781906 554430271 /nfs/dbraw/zinc/43/02/71/554430271.db2.gz BHQHXVHXQRJSCC-QFIPXVFZSA-N 1 2 542.036 1.851 40 0 KDABLO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000059816404 554430545 /nfs/dbraw/zinc/43/05/45/554430545.db2.gz VVNIVZCOTFBJOA-HSZRJFAPSA-N 1 2 542.036 1.995 40 0 KDABLO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000059816411 554430742 /nfs/dbraw/zinc/43/07/42/554430742.db2.gz VVNIVZCOTFBJOA-QHCPKHFHSA-N 1 2 542.036 1.995 40 0 KDABLO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000059816435 554430926 /nfs/dbraw/zinc/43/09/26/554430926.db2.gz PBBNPWBYHQWMHJ-XMMPIXPASA-N 1 2 537.617 1.350 40 0 KDABLO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000059816442 554430976 /nfs/dbraw/zinc/43/09/76/554430976.db2.gz PBBNPWBYHQWMHJ-DEOSSOPVSA-N 1 2 537.617 1.350 40 0 KDABLO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000059816448 554431058 /nfs/dbraw/zinc/43/10/58/554431058.db2.gz HFDOMMKSHGSQSH-HSZRJFAPSA-N 1 2 542.036 1.995 40 0 KDABLO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000059816455 554430923 /nfs/dbraw/zinc/43/09/23/554430923.db2.gz HFDOMMKSHGSQSH-QHCPKHFHSA-N 1 2 542.036 1.995 40 0 KDABLO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000059816485 554430968 /nfs/dbraw/zinc/43/09/68/554430968.db2.gz DDFIKKKUBMMKEL-HSZRJFAPSA-N 1 2 537.617 1.350 40 0 KDABLO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000059816491 554431026 /nfs/dbraw/zinc/43/10/26/554431026.db2.gz DDFIKKKUBMMKEL-QHCPKHFHSA-N 1 2 537.617 1.350 40 0 KDABLO O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000059930398 554480003 /nfs/dbraw/zinc/48/00/03/554480003.db2.gz UKTBYEZMJKFQBL-UHFFFAOYSA-N 1 2 538.022 1.813 40 0 KDABLO COc1ccccc1N1CC[NH+]([C@H]2[C@@H](CN(Cc3ccccn3)Cc3ccccn3)O[C@@H](CO)[C@H]2O)CC1 ZINC000067890398 554534906 /nfs/dbraw/zinc/53/49/06/554534906.db2.gz AGKSEVBAWCMJKE-GIFPIDKJSA-N 1 2 519.646 1.799 40 0 biogenic,in-vitro KDABLO COc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000067890427 554535021 /nfs/dbraw/zinc/53/50/21/554535021.db2.gz AHOFOTUVRZOCMU-WZYRSQIMSA-N 1 2 545.580 1.304 40 0 biogenic,in-vitro KDABLO O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000067890429 291729985 /nfs/dbraw/zinc/72/99/85/291729985.db2.gz UCGMBFMFBDVFQT-CLAROIROSA-N 1 2 533.544 1.434 40 0 biogenic,in-vitro KDABLO O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1 ZINC000067890431 554534914 /nfs/dbraw/zinc/53/49/14/554534914.db2.gz UMGMTZUWNZAXQY-CLAROIROSA-N 1 2 549.999 1.949 40 0 biogenic,in-vitro KDABLO Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000067890433 554534892 /nfs/dbraw/zinc/53/48/92/554534892.db2.gz GASRNXZIAAUGGF-WZYRSQIMSA-N 1 2 529.581 1.604 40 0 biogenic,in-vitro KDABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2[nH]cnc2c1 ZINC000067890452 554535027 /nfs/dbraw/zinc/53/50/27/554535027.db2.gz WWDUNIFORAROKR-WZYRSQIMSA-N 1 2 519.524 1.623 40 0 biogenic,in-vitro KDABLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000070664700 553595008 /nfs/dbraw/zinc/59/50/08/553595008.db2.gz LYAGMCSCYXQWFA-UBFVSLLYSA-N 1 2 606.680 1.677 40 0 KDABLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000070664700 553595007 /nfs/dbraw/zinc/59/50/07/553595007.db2.gz LYAGMCSCYXQWFA-UBFVSLLYSA-N 1 2 606.680 1.677 40 0 KDABLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000070664705 553594987 /nfs/dbraw/zinc/59/49/87/553594987.db2.gz LYAGMCSCYXQWFA-DSNGMDLFSA-N 1 2 606.680 1.677 40 0 KDABLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000070664705 553594985 /nfs/dbraw/zinc/59/49/85/553594985.db2.gz LYAGMCSCYXQWFA-DSNGMDLFSA-N 1 2 606.680 1.677 40 0 KDABLO [NH3+]CCCCCC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000070665868 553597268 /nfs/dbraw/zinc/59/72/68/553597268.db2.gz FYZDYCPLLSEHER-NXFKPKFZSA-N 1 2 545.541 1.120 40 0 KDABLO [NH3+]CCCCCC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)cc(=O)c-4c3O)cc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000070665868 553597265 /nfs/dbraw/zinc/59/72/65/553597265.db2.gz FYZDYCPLLSEHER-NXFKPKFZSA-N 1 2 545.541 1.120 40 0 KDABLO [NH3+]CCCCCC(=O)OC[C@@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000070665870 553597239 /nfs/dbraw/zinc/59/72/39/553597239.db2.gz FYZDYCPLLSEHER-OEBLJWNNSA-N 1 2 545.541 1.120 40 0 KDABLO [NH3+]CCCCCC(=O)OC[C@@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)cc(=O)c-4c3O)cc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000070665870 553597236 /nfs/dbraw/zinc/59/72/36/553597236.db2.gz FYZDYCPLLSEHER-OEBLJWNNSA-N 1 2 545.541 1.120 40 0 KDABLO [NH3+]CCCCCC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000070665872 553597174 /nfs/dbraw/zinc/59/71/74/553597174.db2.gz FYZDYCPLLSEHER-FHEOWYEKSA-N 1 2 545.541 1.120 40 0 KDABLO [NH3+]CCCCCC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)cc(=O)c-4c3O)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000070665872 553597171 /nfs/dbraw/zinc/59/71/71/553597171.db2.gz FYZDYCPLLSEHER-FHEOWYEKSA-N 1 2 545.541 1.120 40 0 KDABLO [NH3+]CCCCCC(=O)OC[C@@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000070665875 553597149 /nfs/dbraw/zinc/59/71/49/553597149.db2.gz FYZDYCPLLSEHER-RBGCBHJMSA-N 1 2 545.541 1.120 40 0 KDABLO [NH3+]CCCCCC(=O)OC[C@@H]1O[C@@H](Oc2ccc(-c3coc4cc(O)cc(=O)c-4c3O)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC000070665875 553597144 /nfs/dbraw/zinc/59/71/44/553597144.db2.gz FYZDYCPLLSEHER-RBGCBHJMSA-N 1 2 545.541 1.120 40 0 KDABLO O=C(C[N@H+]1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)N1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2 ZINC000072341231 553650956 /nfs/dbraw/zinc/65/09/56/553650956.db2.gz DKANJWMSQZTVQP-NSOVKSMOSA-N 1 2 504.587 1.827 40 0 KDABLO O=C(C[N@@H+]1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)N1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2 ZINC000072341231 553650955 /nfs/dbraw/zinc/65/09/55/553650955.db2.gz DKANJWMSQZTVQP-NSOVKSMOSA-N 1 2 504.587 1.827 40 0 KDABLO O=C(C[N@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)N1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2 ZINC000072341232 553650842 /nfs/dbraw/zinc/65/08/42/553650842.db2.gz DKANJWMSQZTVQP-IZLXSDGUSA-N 1 2 504.587 1.827 40 0 KDABLO O=C(C[N@@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)N1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2 ZINC000072341232 553650838 /nfs/dbraw/zinc/65/08/38/553650838.db2.gz DKANJWMSQZTVQP-IZLXSDGUSA-N 1 2 504.587 1.827 40 0 KDABLO CCOC(=O)NC(=O)c1cn(CC[NH+]2CCN(C(=O)CCCCCCCCCCNc3ncnc4nc[nH]c43)CC2)c(=O)[nH]c1=O ZINC000073280196 553652639 /nfs/dbraw/zinc/65/26/39/553652639.db2.gz KXUVLTZHOKTPGO-UHFFFAOYSA-N 1 2 640.746 1.856 40 0 KDABLO CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)C(=O)NN ZINC000095869744 553714460 /nfs/dbraw/zinc/71/44/60/553714460.db2.gz WSDNILYHGWPGII-PMACEKPBSA-N 1 2 531.614 1.417 40 0 KDABLO CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)C(=O)NN ZINC000095869744 553714458 /nfs/dbraw/zinc/71/44/58/553714458.db2.gz WSDNILYHGWPGII-PMACEKPBSA-N 1 2 531.614 1.417 40 0 KDABLO CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000096131321 553727244 /nfs/dbraw/zinc/72/72/44/553727244.db2.gz UCHGVQMTIJAUOM-RSGBUPOYSA-N 1 2 675.787 1.047 40 0 KDABLO CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000096131321 553727241 /nfs/dbraw/zinc/72/72/41/553727241.db2.gz UCHGVQMTIJAUOM-RSGBUPOYSA-N 1 2 675.787 1.047 40 0 KDABLO Cc1c(C)n2c(nc3c2c(=O)n(Cc2ccc(Br)cc2)c(=O)n3C)n1CC[NH+]1CCOCC1 ZINC000096306682 553749539 /nfs/dbraw/zinc/74/95/39/553749539.db2.gz JOVNUNBYYBVUAZ-UHFFFAOYSA-N 1 2 515.412 1.909 40 0 KDABLO CC(C)(C)CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@@H+](Cc1ccc(C(F)(F)F)cc1)C3)[C@H](O)[C@@H]2O ZINC000097976517 553970702 /nfs/dbraw/zinc/97/07/02/553970702.db2.gz ALRJTOIJEDKADC-VTMLMQFPSA-N 1 2 640.700 1.150 40 0 KDABLO CC(C)(C)CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@H+](Cc1ccc(C(F)(F)F)cc1)C3)[C@H](O)[C@@H]2O ZINC000097976517 553970699 /nfs/dbraw/zinc/97/06/99/553970699.db2.gz ALRJTOIJEDKADC-VTMLMQFPSA-N 1 2 640.700 1.150 40 0 KDABLO CC(C)(C)CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C3)[C@H](O)[C@@H]2O ZINC000097976518 553970710 /nfs/dbraw/zinc/97/07/10/553970710.db2.gz LMLRXBKKPYMYAY-FBMOVEOZSA-N 1 2 656.699 1.029 40 0 KDABLO CC(C)(C)CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@H+](Cc1ccc(OC(F)(F)F)cc1)C3)[C@H](O)[C@@H]2O ZINC000097976518 553970709 /nfs/dbraw/zinc/97/07/09/553970709.db2.gz LMLRXBKKPYMYAY-FBMOVEOZSA-N 1 2 656.699 1.029 40 0 KDABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(NC(CO)CO)cc1C[NH2+]CC2=O)NCc1ccccc1 ZINC000100034826 554187653 /nfs/dbraw/zinc/18/76/53/554187653.db2.gz OCQVYSSOKNIVFN-TUQZLUKZSA-N 1 2 522.646 1.661 40 0 KDABLO CN(C)C(=O)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000100140537 554227593 /nfs/dbraw/zinc/22/75/93/554227593.db2.gz HGVDHZBSSITLCT-YSVLISHTSA-N 1 2 548.069 1.290 40 0 in-vitro KDABLO CN(C)C(=O)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000100140537 554227588 /nfs/dbraw/zinc/22/75/88/554227588.db2.gz HGVDHZBSSITLCT-YSVLISHTSA-N 1 2 548.069 1.290 40 0 in-vitro KDABLO CN(C)C(=O)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000100140539 554227542 /nfs/dbraw/zinc/22/75/42/554227542.db2.gz HGVDHZBSSITLCT-UKPHBRMFSA-N 1 2 548.069 1.290 40 0 in-vitro KDABLO CN(C)C(=O)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000100140539 554227539 /nfs/dbraw/zinc/22/75/39/554227539.db2.gz HGVDHZBSSITLCT-UKPHBRMFSA-N 1 2 548.069 1.290 40 0 in-vitro KDABLO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1 ZINC000100277756 554276093 /nfs/dbraw/zinc/27/60/93/554276093.db2.gz TZKMHXKIKPDREE-RDPSFJRHSA-N 1 2 557.677 1.890 40 0 KDABLO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC[C@@H]3CCCO3)c3cccs3)n2)o1 ZINC000100277760 554276133 /nfs/dbraw/zinc/27/61/33/554276133.db2.gz TZKMHXKIKPDREE-GBXCKJPGSA-N 1 2 557.677 1.890 40 0 KDABLO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)o1 ZINC000100277765 554276138 /nfs/dbraw/zinc/27/61/38/554276138.db2.gz TZKMHXKIKPDREE-YKSBVNFPSA-N 1 2 557.677 1.890 40 0 KDABLO Cc1ccc(-c2nnn(CC(=O)N(CCC[NH+]3CCOCC3)[C@@H](C(=O)NC[C@H]3CCCO3)c3cccs3)n2)o1 ZINC000100277767 554276069 /nfs/dbraw/zinc/27/60/69/554276069.db2.gz TZKMHXKIKPDREE-HYBUGGRVSA-N 1 2 557.677 1.890 40 0 KDABLO O=c1[nH]c2cc3c(cc2cc1CN(CC[NH+]1CCOCC1)Cc1nnnn1Cc1ccc(F)cc1)OCCO3 ZINC000100369063 554355199 /nfs/dbraw/zinc/35/51/99/554355199.db2.gz NFUHZVJTFIIZLK-UHFFFAOYSA-N 1 2 535.580 1.808 40 0 KDABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@@H]3CC(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000102100748 554881545 /nfs/dbraw/zinc/88/15/45/554881545.db2.gz AWGHXVWNJHGVDS-QFIPXVFZSA-N 1 2 544.450 1.936 40 0 KDABLO COc1cccc(N2CC[NH+](CC(=O)N3CCNC(=O)[C@H]3CC(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000102100753 554881585 /nfs/dbraw/zinc/88/15/85/554881585.db2.gz AWGHXVWNJHGVDS-JOCHJYFZSA-N 1 2 544.450 1.936 40 0 KDABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000102100760 554881582 /nfs/dbraw/zinc/88/15/82/554881582.db2.gz FLUFEWXKLPHPIV-NRFANRHFSA-N 1 2 544.450 1.936 40 0 KDABLO COc1ccccc1N1CC[NH+](CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000102100766 554881570 /nfs/dbraw/zinc/88/15/70/554881570.db2.gz FLUFEWXKLPHPIV-OAQYLSRUSA-N 1 2 544.450 1.936 40 0 KDABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Br)cc1 ZINC000102100800 554881499 /nfs/dbraw/zinc/88/14/99/554881499.db2.gz BTNQFFCHMJCSHG-OAQYLSRUSA-N 1 2 572.460 1.651 40 0 KDABLO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Br)cc1 ZINC000102100804 554881568 /nfs/dbraw/zinc/88/15/68/554881568.db2.gz BTNQFFCHMJCSHG-NRFANRHFSA-N 1 2 572.460 1.651 40 0 KDABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000102253612 554904242 /nfs/dbraw/zinc/90/42/42/554904242.db2.gz OGOUZQSMHJMQHB-OAQYLSRUSA-N 1 2 561.561 1.908 40 0 KDABLO O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000102253616 554904213 /nfs/dbraw/zinc/90/42/13/554904213.db2.gz OGOUZQSMHJMQHB-NRFANRHFSA-N 1 2 561.561 1.908 40 0 KDABLO CCOc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000102253804 554904232 /nfs/dbraw/zinc/90/42/32/554904232.db2.gz BCCHXQUGHDOKMG-HSZRJFAPSA-N 1 2 537.617 1.287 40 0 KDABLO CCOc1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000102253809 554904269 /nfs/dbraw/zinc/90/42/69/554904269.db2.gz BCCHXQUGHDOKMG-QHCPKHFHSA-N 1 2 537.617 1.287 40 0 KDABLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000102804375 555072867 /nfs/dbraw/zinc/07/28/67/555072867.db2.gz LYAGMCSCYXQWFA-ISJGIBHGSA-N 1 2 606.680 1.677 40 0 KDABLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000102804375 555072863 /nfs/dbraw/zinc/07/28/63/555072863.db2.gz LYAGMCSCYXQWFA-ISJGIBHGSA-N 1 2 606.680 1.677 40 0 KDABLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000102804379 555072823 /nfs/dbraw/zinc/07/28/23/555072823.db2.gz LYAGMCSCYXQWFA-CCDWMCETSA-N 1 2 606.680 1.677 40 0 KDABLO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000102804379 555072820 /nfs/dbraw/zinc/07/28/20/555072820.db2.gz LYAGMCSCYXQWFA-CCDWMCETSA-N 1 2 606.680 1.677 40 0 KDABLO O[C@H]1c2cc(I)cc(I)c2OCC1(CN1CCOCC1)C[NH+]1CCOCC1 ZINC000103598667 555453882 /nfs/dbraw/zinc/45/38/82/555453882.db2.gz IBRAERSZUWITAO-SFHVURJKSA-N 1 2 600.235 1.972 40 0 KDABLO O[C@@H]1c2cc(I)cc(I)c2OCC1(CN1CCOCC1)C[NH+]1CCOCC1 ZINC000103598672 555453941 /nfs/dbraw/zinc/45/39/41/555453941.db2.gz IBRAERSZUWITAO-GOSISDBHSA-N 1 2 600.235 1.972 40 0 KDABLO CN(C)C(=O)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000114445513 571443330 /nfs/dbraw/zinc/44/33/30/571443330.db2.gz HGVDHZBSSITLCT-LXZKKBNFSA-N 1 2 548.069 1.290 40 0 KDABLO CN(C)C(=O)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000114445513 571443329 /nfs/dbraw/zinc/44/33/29/571443329.db2.gz HGVDHZBSSITLCT-LXZKKBNFSA-N 1 2 548.069 1.290 40 0 KDABLO COC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(=O)OC)C(=O)CF ZINC000150661993 571527530 /nfs/dbraw/zinc/52/75/30/571527530.db2.gz NLZNSSWGRVBWIX-KRCBVYEFSA-N 1 2 763.780 1.481 40 0 KDABLO COC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(=O)OC)C(=O)CF ZINC000150661993 571527529 /nfs/dbraw/zinc/52/75/29/571527529.db2.gz NLZNSSWGRVBWIX-KRCBVYEFSA-N 1 2 763.780 1.481 40 0 KDABLO CC(C)(C)c1cc(Br)cc([C@@H](CN(C(=O)C[NH3+])C(=O)c2cc(O)cc(NC3=[NH+]C[C@H](O)CN3)c2)C(=O)[O-])c1 ZINC000211599313 571577016 /nfs/dbraw/zinc/57/70/16/571577016.db2.gz CHDFBRXDZCBZFZ-OAQYLSRUSA-N 1 2 590.475 1.980 40 0 KDABLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000222649529 571379990 /nfs/dbraw/zinc/37/99/90/571379990.db2.gz DBBPVMHCTQEMAI-UHFFFAOYSA-N 1 2 531.631 1.722 40 0 KDABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222708794 571387448 /nfs/dbraw/zinc/38/74/48/571387448.db2.gz LKNPSQOTRXLIIG-QFIPXVFZSA-N 1 2 516.664 1.314 40 0 KDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222708867 571387412 /nfs/dbraw/zinc/38/74/12/571387412.db2.gz LKNPSQOTRXLIIG-JOCHJYFZSA-N 1 2 516.664 1.314 40 0 KDABLO CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222718673 571388774 /nfs/dbraw/zinc/38/87/74/571388774.db2.gz BNUQJGNFUFDFLT-QFIPXVFZSA-N 1 2 530.691 1.783 40 0 KDABLO CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222718743 571388767 /nfs/dbraw/zinc/38/87/67/571388767.db2.gz BNUQJGNFUFDFLT-JOCHJYFZSA-N 1 2 530.691 1.783 40 0 KDABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222737421 571391562 /nfs/dbraw/zinc/39/15/62/571391562.db2.gz DUDNGSAXUFLYLP-QFIPXVFZSA-N 1 2 542.702 1.926 40 0 KDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000222737496 571391650 /nfs/dbraw/zinc/39/16/50/571391650.db2.gz DUDNGSAXUFLYLP-JOCHJYFZSA-N 1 2 542.702 1.926 40 0 KDABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222780954 571396699 /nfs/dbraw/zinc/39/66/99/571396699.db2.gz KAIWVEUNUCNXNL-QFIPXVFZSA-N 1 2 609.145 1.605 40 0 KDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222781013 571396734 /nfs/dbraw/zinc/39/67/34/571396734.db2.gz KAIWVEUNUCNXNL-JOCHJYFZSA-N 1 2 609.145 1.605 40 0 KDABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222785974 571397406 /nfs/dbraw/zinc/39/74/06/571397406.db2.gz OYQHBIAHILMJMO-NRFANRHFSA-N 1 2 551.109 1.967 40 0 KDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222786042 571397357 /nfs/dbraw/zinc/39/73/57/571397357.db2.gz OYQHBIAHILMJMO-OAQYLSRUSA-N 1 2 551.109 1.967 40 0 KDABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222858143 571406444 /nfs/dbraw/zinc/40/64/44/571406444.db2.gz BPTKJSZICLFMHD-QFIPXVFZSA-N 1 2 592.690 1.091 40 0 KDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000222858205 571406391 /nfs/dbraw/zinc/40/63/91/571406391.db2.gz BPTKJSZICLFMHD-JOCHJYFZSA-N 1 2 592.690 1.091 40 0 KDABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222863326 571407048 /nfs/dbraw/zinc/40/70/48/571407048.db2.gz COWADIHUAXBBBY-NRFANRHFSA-N 1 2 534.654 1.453 40 0 KDABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O ZINC000222863396 571407110 /nfs/dbraw/zinc/40/71/10/571407110.db2.gz COWADIHUAXBBBY-OAQYLSRUSA-N 1 2 534.654 1.453 40 0 KDABLO CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222873137 571408234 /nfs/dbraw/zinc/40/82/34/571408234.db2.gz UGKOIACBTGENJV-NRFANRHFSA-N 1 2 548.681 1.922 40 0 KDABLO CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222873194 571408295 /nfs/dbraw/zinc/40/82/95/571408295.db2.gz UGKOIACBTGENJV-OAQYLSRUSA-N 1 2 548.681 1.922 40 0 KDABLO COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222939027 571415051 /nfs/dbraw/zinc/41/50/51/571415051.db2.gz PHRMVHMSOSUCIC-QFIPXVFZSA-N 1 2 546.690 1.323 40 0 KDABLO CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222948954 571416254 /nfs/dbraw/zinc/41/62/54/571416254.db2.gz YZDYQEJXJARXHS-QFIPXVFZSA-N 1 2 560.717 1.792 40 0 KDABLO CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(OC)cc2)[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222949028 571416193 /nfs/dbraw/zinc/41/61/93/571416193.db2.gz YZDYQEJXJARXHS-JOCHJYFZSA-N 1 2 560.717 1.792 40 0 KDABLO COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222966980 571418246 /nfs/dbraw/zinc/41/82/46/571418246.db2.gz WTJPHNVIXCEMPY-QFIPXVFZSA-N 1 2 572.728 1.934 40 0 KDABLO COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000222967044 571418231 /nfs/dbraw/zinc/41/82/31/571418231.db2.gz WTJPHNVIXCEMPY-JOCHJYFZSA-N 1 2 572.728 1.934 40 0 KDABLO CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000223117523 571433346 /nfs/dbraw/zinc/43/33/46/571433346.db2.gz HXQSNUAYTPXNSE-DEOSSOPVSA-N 1 2 551.109 1.620 40 0 KDABLO CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000223117811 571433445 /nfs/dbraw/zinc/43/34/45/571433445.db2.gz NSOPCXLSXZMJIC-UHFFFAOYSA-N 1 2 526.706 1.912 40 0 KDABLO CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000223188064 571442680 /nfs/dbraw/zinc/44/26/80/571442680.db2.gz PSUWTDVGHGMSQV-DEOSSOPVSA-N 1 2 534.654 1.105 40 0 KDABLO COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000223252012 571451082 /nfs/dbraw/zinc/45/10/82/571451082.db2.gz DYTWHWNZVXICNN-UHFFFAOYSA-N 1 2 510.638 1.199 40 0 KDABLO CN(CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1)S(C)(=O)=O ZINC000223332543 571461629 /nfs/dbraw/zinc/46/16/29/571461629.db2.gz FBKXVQOYTZINBN-XMMPIXPASA-N 1 2 502.637 1.096 40 0 KDABLO CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1)S(C)(=O)=O ZINC000223402930 571472030 /nfs/dbraw/zinc/47/20/30/571472030.db2.gz WMXPOKQJJUTKKM-XMMPIXPASA-N 1 2 537.082 1.750 40 0 KDABLO COC(=O)CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)s1 ZINC000223453925 571478863 /nfs/dbraw/zinc/47/88/63/571478863.db2.gz ISZSUKKGHCKQJS-UHFFFAOYSA-N 1 2 506.031 1.645 40 0 KDABLO CN(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1)S(C)(=O)=O ZINC000223470454 571482361 /nfs/dbraw/zinc/48/23/61/571482361.db2.gz DBZGQCNYIMKZNR-XMMPIXPASA-N 1 2 520.627 1.235 40 0 KDABLO COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223539573 571497910 /nfs/dbraw/zinc/49/79/10/571497910.db2.gz CFPKITQUSFIBID-RUZDIDTESA-N 1 2 532.663 1.105 40 0 KDABLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000224083486 571607590 /nfs/dbraw/zinc/60/75/90/571607590.db2.gz FIBIVZSPEWNARO-UHFFFAOYSA-N 1 2 580.729 1.532 40 0 KDABLO COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1OC ZINC000224115045 571611716 /nfs/dbraw/zinc/61/17/16/571611716.db2.gz HZULDDCQCQPXLV-UHFFFAOYSA-N 1 2 540.664 1.208 40 0 KDABLO COC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)s1 ZINC000224231781 571502356 /nfs/dbraw/zinc/50/23/56/571502356.db2.gz RHUVRAJGZFTTMY-UHFFFAOYSA-N 1 2 506.031 1.645 40 0 KDABLO CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000224251985 571506856 /nfs/dbraw/zinc/50/68/56/571506856.db2.gz GXGYFYXNMDJWKQ-UHFFFAOYSA-N 1 2 545.083 1.335 40 0 KDABLO CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1 ZINC000224252145 571506829 /nfs/dbraw/zinc/50/68/29/571506829.db2.gz VASCTZOYRMFJGW-UHFFFAOYSA-N 1 2 545.083 1.335 40 0 KDABLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)CC1 ZINC000224330455 571523174 /nfs/dbraw/zinc/52/31/74/571523174.db2.gz HJJOZPMDXVIUDZ-UHFFFAOYSA-N 1 2 550.703 1.357 40 0 KDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)c2)CC1 ZINC000224330544 571523218 /nfs/dbraw/zinc/52/32/18/571523218.db2.gz KFNDRKQIHFHVGX-UHFFFAOYSA-N 1 2 536.676 1.216 40 0 KDABLO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2Cl)CC1 ZINC000224330967 571523350 /nfs/dbraw/zinc/52/33/50/571523350.db2.gz JCHOBEXACLGKDD-UHFFFAOYSA-N 1 2 571.121 1.869 40 0 KDABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224331038 571523401 /nfs/dbraw/zinc/52/34/01/571523401.db2.gz JZEAUPUNXKQEFL-UHFFFAOYSA-N 1 2 550.703 1.524 40 0 KDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)c2)CC1 ZINC000224331111 571523410 /nfs/dbraw/zinc/52/34/10/571523410.db2.gz ORMDACREVIKFOJ-UHFFFAOYSA-N 1 2 571.121 1.869 40 0 KDABLO C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1 ZINC000224406535 571539442 /nfs/dbraw/zinc/53/94/42/571539442.db2.gz NCUMQCLXIRMCFL-UHFFFAOYSA-N 1 2 564.730 1.747 40 0 KDABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2)CC1 ZINC000224406605 571539407 /nfs/dbraw/zinc/53/94/07/571539407.db2.gz CLIHHQPUUJJSGI-UHFFFAOYSA-N 1 2 550.703 1.606 40 0 KDABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000224407061 571539559 /nfs/dbraw/zinc/53/95/59/571539559.db2.gz HQZFSDLBQYIYSV-UHFFFAOYSA-N 1 2 564.730 1.915 40 0 KDABLO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2Cl)CC1 ZINC000224482811 571556521 /nfs/dbraw/zinc/55/65/21/571556521.db2.gz HELREIQITJDENZ-UHFFFAOYSA-N 1 2 587.120 1.106 40 0 KDABLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2)CC1 ZINC000224482947 571556633 /nfs/dbraw/zinc/55/66/33/571556633.db2.gz WXXXFQWBSQQZHG-UHFFFAOYSA-N 1 2 587.120 1.106 40 0 KDABLO Cc1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000224533096 571568147 /nfs/dbraw/zinc/56/81/47/571568147.db2.gz QJTLGHXWJDTQQO-UHFFFAOYSA-N 1 2 566.702 1.887 40 0 KDABLO Cc1ccc(CN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)S(C)(=O)=O)cc1 ZINC000224832615 571621524 /nfs/dbraw/zinc/62/15/24/571621524.db2.gz FFMPXFQWQJCDMA-UHFFFAOYSA-N 1 2 508.666 1.640 40 0 KDABLO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000225079412 571645040 /nfs/dbraw/zinc/64/50/40/571645040.db2.gz LGSUVLUBVFOLKW-UHFFFAOYSA-N 1 2 538.692 1.761 40 0 KDABLO Cc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225089445 571646285 /nfs/dbraw/zinc/64/62/85/571646285.db2.gz ICDZFYWFLZHZMH-UHFFFAOYSA-N 1 2 506.606 1.385 40 0 KDABLO COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1N1C(=O)CCC1=O ZINC000225116894 571649057 /nfs/dbraw/zinc/64/90/57/571649057.db2.gz DMUOOGMUVVWESP-UHFFFAOYSA-N 1 2 536.632 1.394 40 0 KDABLO Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225137715 571650911 /nfs/dbraw/zinc/65/09/11/571650911.db2.gz YIQMSWPIVHBWOJ-UHFFFAOYSA-N 1 2 515.057 1.844 40 0 KDABLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000225232509 571660637 /nfs/dbraw/zinc/66/06/37/571660637.db2.gz MVMLLPAZFBRMGJ-UHFFFAOYSA-N 1 2 517.648 1.797 40 0 KDABLO COC(=O)c1ccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C3(C[NH+](Cc4cccc(OC(F)(F)F)c4)C3)C2=O)cc1 ZINC000225396648 291710961 /nfs/dbraw/zinc/71/09/61/291710961.db2.gz GITOEMLADYJXOP-CTNGQTDRSA-N 1 2 533.503 1.930 40 0 biogenic,in-vitro KDABLO O=C1C[C@@H]2O[C@H](C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccc(Cl)c(F)c3)N1)[C@@H](O)[C@H]2O ZINC000225445275 571816943 /nfs/dbraw/zinc/81/69/43/571816943.db2.gz XONJMXJEVSOXGO-HLQVWFQDSA-N 1 2 653.098 1.439 40 0 KDABLO O=C1C[C@@H]2O[C@H](C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](CN3Cc3ccc(Cl)c(F)c3)N1)[C@@H](O)[C@H]2O ZINC000225445275 571816940 /nfs/dbraw/zinc/81/69/40/571816940.db2.gz XONJMXJEVSOXGO-HLQVWFQDSA-N 1 2 653.098 1.439 40 0 KDABLO O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@@H+]3Cc3ccc(C(F)(F)F)cc3)N1)[C@@H](O)[C@H]2O ZINC000225445335 571816797 /nfs/dbraw/zinc/81/67/97/571816797.db2.gz GQPDWDYPCPSUMV-HDWXRUPBSA-N 1 2 668.660 1.665 40 0 KDABLO O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@H+]3Cc3ccc(C(F)(F)F)cc3)N1)[C@@H](O)[C@H]2O ZINC000225445335 571816791 /nfs/dbraw/zinc/81/67/91/571816791.db2.gz GQPDWDYPCPSUMV-HDWXRUPBSA-N 1 2 668.660 1.665 40 0 KDABLO O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@@H+]3Cc3ccc(OC(F)(F)F)cc3)N1)[C@@H](O)[C@H]2O ZINC000225445396 571816651 /nfs/dbraw/zinc/81/66/51/571816651.db2.gz HLCJCNIYMYRUMR-NJYDEKLYSA-N 1 2 684.659 1.545 40 0 KDABLO O=C1C[C@@H]2O[C@H](CN(Cc3ccc(F)c(F)c3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@H+]3Cc3ccc(OC(F)(F)F)cc3)N1)[C@@H](O)[C@H]2O ZINC000225445396 571816647 /nfs/dbraw/zinc/81/66/47/571816647.db2.gz HLCJCNIYMYRUMR-NJYDEKLYSA-N 1 2 684.659 1.545 40 0 KDABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccncc2)C[C@@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccnc3)ccc21 ZINC000225446355 571817961 /nfs/dbraw/zinc/81/79/61/571817961.db2.gz JQOJPBBYFYCIIV-QRXMYIDTSA-N 1 2 540.642 1.179 40 0 KDABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2ccncc2)C[C@@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccnc3)ccc21 ZINC000225446355 571817959 /nfs/dbraw/zinc/81/79/59/571817959.db2.gz JQOJPBBYFYCIIV-QRXMYIDTSA-N 1 2 540.642 1.179 40 0 KDABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccncc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3)ccc21 ZINC000225446418 571818654 /nfs/dbraw/zinc/81/86/54/571818654.db2.gz AXWIPVPTYHKATM-CDILPITASA-N 1 2 539.654 1.784 40 0 KDABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2ccncc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3)ccc21 ZINC000225446418 571818651 /nfs/dbraw/zinc/81/86/51/571818651.db2.gz AXWIPVPTYHKATM-CDILPITASA-N 1 2 539.654 1.784 40 0 KDABLO Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225473771 571844020 /nfs/dbraw/zinc/84/40/20/571844020.db2.gz YCSCEDJRTHDWSN-UHFFFAOYSA-N 1 2 520.677 1.971 40 0 KDABLO Cc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225478050 571848131 /nfs/dbraw/zinc/84/81/31/571848131.db2.gz MSSSHSCZORRFFK-UHFFFAOYSA-N 1 2 529.084 1.985 40 0 KDABLO Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225480736 571850888 /nfs/dbraw/zinc/85/08/88/571850888.db2.gz FZBRMHXQOCLEDX-GOSISDBHSA-N 1 2 524.665 1.733 40 0 KDABLO Cc1ccc(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225480777 571851304 /nfs/dbraw/zinc/85/13/04/571851304.db2.gz FZBRMHXQOCLEDX-SFHVURJKSA-N 1 2 524.665 1.733 40 0 KDABLO COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)CC2)cc1 ZINC000225501240 571871626 /nfs/dbraw/zinc/87/16/26/571871626.db2.gz FDKRXFHGLKXWIG-UHFFFAOYSA-N 1 2 550.703 1.979 40 0 KDABLO Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225513548 571884223 /nfs/dbraw/zinc/88/42/23/571884223.db2.gz ZHGYQRLLKPXYKR-HXUWFJFHSA-N 1 2 520.677 1.971 40 0 KDABLO Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225513591 571884422 /nfs/dbraw/zinc/88/44/22/571884422.db2.gz ZHGYQRLLKPXYKR-FQEVSTJZSA-N 1 2 520.677 1.971 40 0 KDABLO Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225564061 571925846 /nfs/dbraw/zinc/92/58/46/571925846.db2.gz OYYLMTLZRVAMBX-UHFFFAOYSA-N 1 2 522.649 1.204 40 0 KDABLO Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225571557 571932701 /nfs/dbraw/zinc/93/27/01/571932701.db2.gz RWWQCCBFLRFPLY-UHFFFAOYSA-N 1 2 506.650 1.968 40 0 KDABLO Cc1ccc(NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225626030 571977842 /nfs/dbraw/zinc/97/78/42/571977842.db2.gz JVGVFIDDUGGSQR-UHFFFAOYSA-N 1 2 510.638 1.344 40 0 KDABLO Cc1ccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225752111 572061199 /nfs/dbraw/zinc/06/11/99/572061199.db2.gz UEAACRBRSMBICH-UHFFFAOYSA-N 1 2 512.629 1.471 40 0 KDABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1 ZINC000225903854 572080969 /nfs/dbraw/zinc/08/09/69/572080969.db2.gz FUSWHNRQBDUMQT-UHFFFAOYSA-N 1 2 512.684 1.258 40 0 KDABLO O=C(C[N@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)N1CCC[C@]2(C1)CNC(=O)c1ccccc1O2 ZINC000247797939 572244935 /nfs/dbraw/zinc/24/49/35/572244935.db2.gz DKANJWMSQZTVQP-VSGBNLITSA-N 1 2 504.587 1.827 40 0 KDABLO O=C(C[N@@H+]1CCC[C@]2(C1)CNC(=O)c1ccccc1O2)N1CCC[C@]2(C1)CNC(=O)c1ccccc1O2 ZINC000247797939 572244933 /nfs/dbraw/zinc/24/49/33/572244933.db2.gz DKANJWMSQZTVQP-VSGBNLITSA-N 1 2 504.587 1.827 40 0 KDABLO O=C(C[N@H+]1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)N1CCC[C@]2(C1)CNC(=O)c1ccccc1O2 ZINC000247797944 572244965 /nfs/dbraw/zinc/24/49/65/572244965.db2.gz DKANJWMSQZTVQP-WUFINQPMSA-N 1 2 504.587 1.827 40 0 KDABLO O=C(C[N@@H+]1CCC[C@@]2(C1)CNC(=O)c1ccccc1O2)N1CCC[C@]2(C1)CNC(=O)c1ccccc1O2 ZINC000247797944 572244964 /nfs/dbraw/zinc/24/49/64/572244964.db2.gz DKANJWMSQZTVQP-WUFINQPMSA-N 1 2 504.587 1.827 40 0 KDABLO COc1cccc(C[N@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)c1 ZINC000253394335 572283730 /nfs/dbraw/zinc/28/37/30/572283730.db2.gz AZCYPHINHDBRJI-OAFYVUHTSA-N 1 2 509.603 1.829 40 0 KDABLO COc1cccc(C[N@@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)c1 ZINC000253394335 572283729 /nfs/dbraw/zinc/28/37/29/572283729.db2.gz AZCYPHINHDBRJI-OAFYVUHTSA-N 1 2 509.603 1.829 40 0 KDABLO Cn1cc[nH+]c1CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3ccccc3F)cc2OC[C@@]2(C[C@@H](O)[C@@H](O)C2)C1 ZINC000253395987 572283902 /nfs/dbraw/zinc/28/39/02/572283902.db2.gz CXVDYUQKOCVRGW-JVGMMHMTSA-N 1 2 560.648 1.262 40 0 KDABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccccn2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253396315 572284098 /nfs/dbraw/zinc/28/40/98/572284098.db2.gz DPTZJAGPMWFFNZ-WVZMWUMTSA-N 1 2 557.644 1.924 40 0 KDABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2ccccn2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253396315 572284097 /nfs/dbraw/zinc/28/40/97/572284097.db2.gz DPTZJAGPMWFFNZ-WVZMWUMTSA-N 1 2 557.644 1.924 40 0 KDABLO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4c[nH]c[nH+]4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253396871 572284289 /nfs/dbraw/zinc/28/42/89/572284289.db2.gz FCTNLVIBFKETRZ-FEVSWUGISA-N 1 2 553.664 1.259 40 0 KDABLO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CCN(Cc4c[nH+]c[nH]4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253396871 572284288 /nfs/dbraw/zinc/28/42/88/572284288.db2.gz FCTNLVIBFKETRZ-FEVSWUGISA-N 1 2 553.664 1.259 40 0 KDABLO CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253397814 572284354 /nfs/dbraw/zinc/28/43/54/572284354.db2.gz FZUMUQICFVEBDS-ONLLFZDPSA-N 1 2 600.694 1.106 40 0 KDABLO CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253397814 572284353 /nfs/dbraw/zinc/28/43/53/572284353.db2.gz FZUMUQICFVEBDS-ONLLFZDPSA-N 1 2 600.694 1.106 40 0 KDABLO CC(=O)Nc1ccc(C[N@@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(C)=O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253398323 572284454 /nfs/dbraw/zinc/28/44/54/572284454.db2.gz GYNIGKVKBGLRRL-DXLYGPJMSA-N 1 2 577.682 1.923 40 0 KDABLO CC(=O)Nc1ccc(C[N@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(C)=O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253398323 572284453 /nfs/dbraw/zinc/28/44/53/572284453.db2.gz GYNIGKVKBGLRRL-DXLYGPJMSA-N 1 2 577.682 1.923 40 0 KDABLO COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CC[N@@H+](Cc5cccnc5)C[C@H]4C(=O)NC[C@H]2O3)nn1 ZINC000253398417 572284483 /nfs/dbraw/zinc/28/44/83/572284483.db2.gz HENRTCLMVVRICZ-JGDRUYDSSA-N 1 2 575.670 1.834 40 0 KDABLO COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CC[N@H+](Cc5cccnc5)C[C@H]4C(=O)NC[C@H]2O3)nn1 ZINC000253398417 572284481 /nfs/dbraw/zinc/28/44/81/572284481.db2.gz HENRTCLMVVRICZ-JGDRUYDSSA-N 1 2 575.670 1.834 40 0 KDABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2cccnc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253398491 572284565 /nfs/dbraw/zinc/28/45/65/572284565.db2.gz HGEVLDQSOVPDMM-WVZMWUMTSA-N 1 2 557.644 1.924 40 0 KDABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2cccnc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253398491 572284563 /nfs/dbraw/zinc/28/45/63/572284563.db2.gz HGEVLDQSOVPDMM-WVZMWUMTSA-N 1 2 557.644 1.924 40 0 KDABLO COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4cccs4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253398765 572284474 /nfs/dbraw/zinc/28/44/74/572284474.db2.gz HKINFEKAFQPZFW-PJGWKRMOSA-N 1 2 556.685 1.652 40 0 KDABLO COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4cccs4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253398765 572284473 /nfs/dbraw/zinc/28/44/73/572284473.db2.gz HKINFEKAFQPZFW-PJGWKRMOSA-N 1 2 556.685 1.652 40 0 KDABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccncc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253398969 572284682 /nfs/dbraw/zinc/28/46/82/572284682.db2.gz HXAVGPAEQBIDEE-WVZMWUMTSA-N 1 2 557.644 1.924 40 0 KDABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2ccncc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3ccccc3F)ccc21 ZINC000253398969 572284680 /nfs/dbraw/zinc/28/46/80/572284680.db2.gz HXAVGPAEQBIDEE-WVZMWUMTSA-N 1 2 557.644 1.924 40 0 KDABLO CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccsc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253399118 572284602 /nfs/dbraw/zinc/28/46/02/572284602.db2.gz ILIRERYXTAZEHK-AYEXWZOKSA-N 1 2 562.714 1.439 40 0 KDABLO CS(=O)(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccsc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253399118 572284601 /nfs/dbraw/zinc/28/46/01/572284601.db2.gz ILIRERYXTAZEHK-AYEXWZOKSA-N 1 2 562.714 1.439 40 0 KDABLO COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4cccc(OC)c4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253399386 572284674 /nfs/dbraw/zinc/28/46/74/572284674.db2.gz IZVROPRSUGHLDX-RBYFDUNASA-N 1 2 580.682 1.599 40 0 KDABLO COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4cccc(OC)c4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253399386 572284673 /nfs/dbraw/zinc/28/46/73/572284673.db2.gz IZVROPRSUGHLDX-RBYFDUNASA-N 1 2 580.682 1.599 40 0 KDABLO CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253399717 572284810 /nfs/dbraw/zinc/28/48/10/572284810.db2.gz JVGBZLZULBCETB-DSZDGCDSSA-N 1 2 564.639 1.693 40 0 KDABLO CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253399717 572284808 /nfs/dbraw/zinc/28/48/08/572284808.db2.gz JVGBZLZULBCETB-DSZDGCDSSA-N 1 2 564.639 1.693 40 0 KDABLO C[N@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253400099 572284968 /nfs/dbraw/zinc/28/49/68/572284968.db2.gz KMUBZMOKSSPCCE-DEXHYYOUSA-N 1 2 500.640 1.810 40 0 KDABLO C[N@@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253400099 572284967 /nfs/dbraw/zinc/28/49/67/572284967.db2.gz KMUBZMOKSSPCCE-DEXHYYOUSA-N 1 2 500.640 1.810 40 0 KDABLO COc1cccc(C[N@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NS(C)(=O)=O)[C@@H](CNC(=O)[C@@H]3C2)O4)c1 ZINC000253400276 572284952 /nfs/dbraw/zinc/28/49/52/572284952.db2.gz KYZIGVAJEBDSPJ-SDBGCZOPSA-N 1 2 586.711 1.386 40 0 KDABLO COc1cccc(C[N@@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NS(C)(=O)=O)[C@@H](CNC(=O)[C@@H]3C2)O4)c1 ZINC000253400276 572284950 /nfs/dbraw/zinc/28/49/50/572284950.db2.gz KYZIGVAJEBDSPJ-SDBGCZOPSA-N 1 2 586.711 1.386 40 0 KDABLO COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccsc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253400457 572285044 /nfs/dbraw/zinc/28/50/44/572285044.db2.gz LGZXKETXACWAFE-FEVSWUGISA-N 1 2 556.685 1.652 40 0 KDABLO COCC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccsc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253400457 572285043 /nfs/dbraw/zinc/28/50/43/572285043.db2.gz LGZXKETXACWAFE-FEVSWUGISA-N 1 2 556.685 1.652 40 0 KDABLO COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5c[nH]c[nH+]5)C[C@H]4C(=O)NC[C@H]2O3)nn1 ZINC000253400595 572285048 /nfs/dbraw/zinc/28/50/48/572285048.db2.gz LKLDYOHFSKMWEI-GEMTWJNPSA-N 1 2 564.647 1.162 40 0 KDABLO COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5c[nH+]c[nH]5)C[C@H]4C(=O)NC[C@H]2O3)nn1 ZINC000253400595 572285047 /nfs/dbraw/zinc/28/50/47/572285047.db2.gz LKLDYOHFSKMWEI-GEMTWJNPSA-N 1 2 564.647 1.162 40 0 KDABLO Cn1cc(C[N@H+]2C[C@@H](O)CNS(=O)(=O)c3ccc(-c4ccccc4F)cc3OC[C@@]3(C[C@@H](O)[C@@H](O)C3)C2)cn1 ZINC000253400748 572285187 /nfs/dbraw/zinc/28/51/87/572285187.db2.gz LREXPESBYZUKFJ-BUQBWPEYSA-N 1 2 560.648 1.262 40 0 KDABLO Cn1cc(C[N@@H+]2C[C@@H](O)CNS(=O)(=O)c3ccc(-c4ccccc4F)cc3OC[C@@]3(C[C@@H](O)[C@@H](O)C3)C2)cn1 ZINC000253400748 572285186 /nfs/dbraw/zinc/28/51/86/572285186.db2.gz LREXPESBYZUKFJ-BUQBWPEYSA-N 1 2 560.648 1.262 40 0 KDABLO CC(=O)Nc1ccc(C[N@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253400822 572285164 /nfs/dbraw/zinc/28/51/64/572285164.db2.gz LYPXOBZYMNGFNM-WVAUJHLCSA-N 1 2 536.629 1.779 40 0 KDABLO CC(=O)Nc1ccc(C[N@@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1 ZINC000253400822 572285163 /nfs/dbraw/zinc/28/51/63/572285163.db2.gz LYPXOBZYMNGFNM-WVAUJHLCSA-N 1 2 536.629 1.779 40 0 KDABLO 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Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1nc(N)nc3N)[C@@](C)(O)CO2 ZINC000257240042 572310078 /nfs/dbraw/zinc/31/00/78/572310078.db2.gz HRUJHTIOFABAML-DFBJGRDBSA-N 1 2 519.610 1.813 40 0 KDABLO CCc1[nH+]c2ccccc2n1CCC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2 ZINC000257244922 572310602 /nfs/dbraw/zinc/31/06/02/572310602.db2.gz INIXDSPCRNHZES-KMRXNPHXSA-N 1 2 563.659 1.510 40 0 KDABLO CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2 ZINC000257248468 572310882 /nfs/dbraw/zinc/31/08/82/572310882.db2.gz JDUCCXDFCYTHBR-ZTOMLWHTSA-N 1 2 577.686 1.756 40 0 KDABLO Cc1cc2[nH+]c(CCC(=O)N(C)[C@@H]3CCC[C@@H](n4cnc5c4n(C)c(=O)n(C)c5=O)[C@@H]3O)[nH]c2c(C)c1 ZINC000257249402 572310859 /nfs/dbraw/zinc/31/08/59/572310859.db2.gz JIDPNCAKMJBYJH-PMAPCBKXSA-N 1 2 507.595 1.473 40 0 KDABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)CO2 ZINC000257250371 572310993 /nfs/dbraw/zinc/31/09/93/572310993.db2.gz JMGUGUVVQULYHQ-SKCUWOTOSA-N 1 2 563.659 1.646 40 0 KDABLO CC(C)c1[nH+]c2ccccc2n1CCCC(=O)N1C[C@@H](n2cnc3c2nc(N)nc3N)[C@](C)(O)C[C@H](O)C1 ZINC000257263521 572312259 /nfs/dbraw/zinc/31/22/59/572312259.db2.gz LQHOEDQTLDCKOM-KGVVXCLESA-N 1 2 521.626 1.830 40 0 KDABLO CCCc1[nH+]c2ccccc2n1CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)CO2 ZINC000257279358 572313806 /nfs/dbraw/zinc/31/38/06/572313806.db2.gz OGGBJSRZDNMTIX-LYZGTLIUSA-N 1 2 563.659 1.510 40 0 KDABLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2 ZINC000257282779 572314021 /nfs/dbraw/zinc/31/40/21/572314021.db2.gz OVGRVQYJSJZOAK-DCFHFQCYSA-N 1 2 549.632 1.120 40 0 KDABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1Oc1cccc(F)c1 ZINC000257290767 572314982 /nfs/dbraw/zinc/31/49/82/572314982.db2.gz QEGGJPMMCFFAJR-UPVQGACJSA-N 1 2 507.584 1.689 40 0 KDABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@@H]1Oc1cccc(F)c1 ZINC000257290767 572314981 /nfs/dbraw/zinc/31/49/81/572314981.db2.gz QEGGJPMMCFFAJR-UPVQGACJSA-N 1 2 507.584 1.689 40 0 KDABLO CC1(C)CC2(CN1S(C)(=O)=O)CC[NH+](CC(=O)Nc1cccc(S(=O)(=O)N3CCOCC3)c1)CC2 ZINC000257292945 572315093 /nfs/dbraw/zinc/31/50/93/572315093.db2.gz QNODUMJEGKVMLP-UHFFFAOYSA-N 1 2 528.697 1.172 40 0 KDABLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC2(CC1)C[C@@](C)(O)[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)CO2 ZINC000257294527 572315295 /nfs/dbraw/zinc/31/52/95/572315295.db2.gz QUOQVTSVKYMVMK-NFQMXDRXSA-N 1 2 549.632 1.120 40 0 KDABLO CCCc1[nH+]c2ccccc2n1CC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2 ZINC000257299052 572315823 /nfs/dbraw/zinc/31/58/23/572315823.db2.gz RONYVZVBGMZCPO-KMRXNPHXSA-N 1 2 563.659 1.510 40 0 KDABLO Cc1cc2[nH]c(CCC(=O)N3CCC4(CC3)C[C@H](n3cnc5c3c(=O)n(C)c(=O)n5C)[C@@](C)(O)CO4)[nH+]c2cc1C ZINC000257302068 572316045 /nfs/dbraw/zinc/31/60/45/572316045.db2.gz SBGYHHSWERWGDB-KMRXNPHXSA-N 1 2 563.659 1.633 40 0 KDABLO Cc1[nH]c2cc(CCC(=O)N3CCC4(CC3)C[C@H](n3cnc5c3nc(N)nc5N)[C@@](C)(O)CO4)ccc2[nH+]1 ZINC000257303765 572316215 /nfs/dbraw/zinc/31/62/15/572316215.db2.gz SIPVHMTZLVGJFD-DFBJGRDBSA-N 1 2 519.610 1.882 40 0 KDABLO Cc1[nH]c2ccc(CCC(=O)N3CCC4(CC3)C[C@H](n3cnc5c3nc(N)nc5N)[C@@](C)(O)CO4)cc2[nH+]1 ZINC000257303765 572316213 /nfs/dbraw/zinc/31/62/13/572316213.db2.gz SIPVHMTZLVGJFD-DFBJGRDBSA-N 1 2 519.610 1.882 40 0 KDABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CCC2(CC1)C[C@H](n1cnc3c1c(=O)n(C)c(=O)n3C)[C@@](C)(O)CO2 ZINC000257317908 572317575 /nfs/dbraw/zinc/31/75/75/572317575.db2.gz VLRHJGWMCPXBAO-DWACAAAGSA-N 1 2 563.659 1.646 40 0 KDABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257338895 572319792 /nfs/dbraw/zinc/31/97/92/572319792.db2.gz YZIGVBRIUCLJMZ-UPVQGACJSA-N 1 2 507.584 1.689 40 0 KDABLO C[C@]1(O)C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257338895 572319791 /nfs/dbraw/zinc/31/97/91/572319791.db2.gz YZIGVBRIUCLJMZ-UPVQGACJSA-N 1 2 507.584 1.689 40 0 KDABLO COc1ccc(CN(C(=O)CN(C)S(C)(=O)=O)[C@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000260714341 572323378 /nfs/dbraw/zinc/32/33/78/572323378.db2.gz CFPKITQUSFIBID-VWLOTQADSA-N 1 2 532.663 1.105 40 0 KDABLO CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1)S(C)(=O)=O ZINC000260714595 572323365 /nfs/dbraw/zinc/32/33/65/572323365.db2.gz DBZGQCNYIMKZNR-DEOSSOPVSA-N 1 2 520.627 1.235 40 0 KDABLO CN(CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1)S(C)(=O)=O ZINC000260714727 572323451 /nfs/dbraw/zinc/32/34/51/572323451.db2.gz FBKXVQOYTZINBN-DEOSSOPVSA-N 1 2 502.637 1.096 40 0 KDABLO CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000260717067 572323515 /nfs/dbraw/zinc/32/35/15/572323515.db2.gz HXQSNUAYTPXNSE-XMMPIXPASA-N 1 2 551.109 1.620 40 0 KDABLO COc1ccc(CN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)[C@H](C)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000260722502 572323812 /nfs/dbraw/zinc/32/38/12/572323812.db2.gz PHRMVHMSOSUCIC-JOCHJYFZSA-N 1 2 546.690 1.323 40 0 KDABLO CN(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000260722553 572323849 /nfs/dbraw/zinc/32/38/49/572323849.db2.gz PSUWTDVGHGMSQV-XMMPIXPASA-N 1 2 534.654 1.105 40 0 KDABLO CN(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1)S(C)(=O)=O ZINC000260725453 572323988 /nfs/dbraw/zinc/32/39/88/572323988.db2.gz WMXPOKQJJUTKKM-DEOSSOPVSA-N 1 2 537.082 1.750 40 0 KDABLO CCOc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCC[NH+]4CCOCC4)CC3=O)cc2)cc1 ZINC000408580444 572264190 /nfs/dbraw/zinc/26/41/90/572264190.db2.gz QRMSTTPICQXNPM-FQEVSTJZSA-N 1 2 510.591 1.904 40 0 KDABLO CCOc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCC[NH+]4CCOCC4)CC3=O)cc2)cc1 ZINC000408580446 572264172 /nfs/dbraw/zinc/26/41/72/572264172.db2.gz QRMSTTPICQXNPM-HXUWFJFHSA-N 1 2 510.591 1.904 40 0 KDABLO COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NCC[NH+]3CCOCC3)cc2)cc1OC ZINC000408591688 572268372 /nfs/dbraw/zinc/26/83/72/572268372.db2.gz JYCQRNJVHNSGNV-UHFFFAOYSA-N 1 2 507.609 1.052 40 0 KDABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408606203 572274738 /nfs/dbraw/zinc/27/47/38/572274738.db2.gz ODDSEGZROIDKEK-UHFFFAOYSA-N 1 2 538.022 1.813 40 0 KDABLO COc1ccc(OC)c(N(CC(=O)NCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000408630450 572286150 /nfs/dbraw/zinc/28/61/50/572286150.db2.gz UTPDLKCCPGPJEK-UHFFFAOYSA-N 1 2 523.608 1.365 40 0 KDABLO Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408635804 572292745 /nfs/dbraw/zinc/29/27/45/572292745.db2.gz FFZMCSAEPVOBJM-UHFFFAOYSA-N 1 2 517.604 1.468 40 0 KDABLO COCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 ZINC000408636931 572293844 /nfs/dbraw/zinc/29/38/44/572293844.db2.gz WGTWLRUWALOBOJ-UHFFFAOYSA-N 1 2 526.011 1.717 40 0 KDABLO O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(NC(CO)CO)cc1C[NH2+]CC2=O)NCc1ccccc1 ZINC000958317620 1066406683 /nfs/dbraw/zinc/40/66/83/1066406683.db2.gz OCQVYSSOKNIVFN-GOTSBHOMSA-N 1 2 522.646 1.661 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(Cc4cccnc4)C[C@H]2[N@@H+](C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534611611 1066422783 /nfs/dbraw/zinc/42/27/83/1066422783.db2.gz BAENPKMLSLFTRD-GSLIJJQTSA-N 1 2 543.690 1.024 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(Cc4cccnc4)C[C@H]2[N@H+](C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534611611 1066422780 /nfs/dbraw/zinc/42/27/80/1066422780.db2.gz BAENPKMLSLFTRD-GSLIJJQTSA-N 1 2 543.690 1.024 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4cccnc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534611611 1066422776 /nfs/dbraw/zinc/42/27/76/1066422776.db2.gz BAENPKMLSLFTRD-GSLIJJQTSA-N 1 2 543.690 1.024 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2C[N@H+](Cc4cccnc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534611611 1066422771 /nfs/dbraw/zinc/42/27/71/1066422771.db2.gz BAENPKMLSLFTRD-GSLIJJQTSA-N 1 2 543.690 1.024 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(Cc4ccncc4)C[C@H]2[N@@H+](C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612095 1066423632 /nfs/dbraw/zinc/42/36/32/1066423632.db2.gz GVSQIUBMNXXTRQ-GSLIJJQTSA-N 1 2 543.690 1.024 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(Cc4ccncc4)C[C@H]2[N@H+](C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612095 1066423627 /nfs/dbraw/zinc/42/36/27/1066423627.db2.gz GVSQIUBMNXXTRQ-GSLIJJQTSA-N 1 2 543.690 1.024 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccncc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612095 1066423621 /nfs/dbraw/zinc/42/36/21/1066423621.db2.gz GVSQIUBMNXXTRQ-GSLIJJQTSA-N 1 2 543.690 1.024 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccncc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612095 1066423616 /nfs/dbraw/zinc/42/36/16/1066423616.db2.gz GVSQIUBMNXXTRQ-GSLIJJQTSA-N 1 2 543.690 1.024 40 0 KDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccccc4Cl)C[C@H]2[N@@H+](C)C[C@@H](O)CNS3(=O)=O)cn1 ZINC001534612108 1066423712 /nfs/dbraw/zinc/42/37/12/1066423712.db2.gz HBTGLJVKOFEGIG-FJIJXJHWSA-N 1 2 532.066 1.957 40 0 KDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccccc4Cl)C[C@H]2[N@H+](C)C[C@@H](O)CNS3(=O)=O)cn1 ZINC001534612108 1066423708 /nfs/dbraw/zinc/42/37/08/1066423708.db2.gz HBTGLJVKOFEGIG-FJIJXJHWSA-N 1 2 532.066 1.957 40 0 KDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccccc4Cl)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)cn1 ZINC001534612108 1066423704 /nfs/dbraw/zinc/42/37/04/1066423704.db2.gz HBTGLJVKOFEGIG-FJIJXJHWSA-N 1 2 532.066 1.957 40 0 KDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccccc4Cl)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)cn1 ZINC001534612108 1066423701 /nfs/dbraw/zinc/42/37/01/1066423701.db2.gz HBTGLJVKOFEGIG-FJIJXJHWSA-N 1 2 532.066 1.957 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccncc4)C[C@H]2[N@@H+](C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612146 1066423790 /nfs/dbraw/zinc/42/37/90/1066423790.db2.gz HLBRYEBYZNYWAY-FBILRYNDSA-N 1 2 524.643 1.974 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccncc4)C[C@H]2[N@H+](C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612146 1066423788 /nfs/dbraw/zinc/42/37/88/1066423788.db2.gz HLBRYEBYZNYWAY-FBILRYNDSA-N 1 2 524.643 1.974 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccncc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612146 1066423785 /nfs/dbraw/zinc/42/37/85/1066423785.db2.gz HLBRYEBYZNYWAY-FBILRYNDSA-N 1 2 524.643 1.974 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccncc4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612146 1066423783 /nfs/dbraw/zinc/42/37/83/1066423783.db2.gz HLBRYEBYZNYWAY-FBILRYNDSA-N 1 2 524.643 1.974 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4csnn4)C[C@H]2[N@@H+](C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612510 1066423485 /nfs/dbraw/zinc/42/34/85/1066423485.db2.gz HQMAEFICDYNVPP-WPYKKVEZSA-N 1 2 531.660 1.430 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4csnn4)C[C@H]2[N@H+](C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612510 1066423477 /nfs/dbraw/zinc/42/34/77/1066423477.db2.gz HQMAEFICDYNVPP-WPYKKVEZSA-N 1 2 531.660 1.430 40 0 KDABLO C[N@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC001534612600 1066423605 /nfs/dbraw/zinc/42/36/05/1066423605.db2.gz IWCJKEAJFOZYKR-ZDXQCDESSA-N 1 2 502.637 1.192 40 0 KDABLO C[N@@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(Cc3cccnc3)C[C@H]21 ZINC001534612600 1066423601 /nfs/dbraw/zinc/42/36/01/1066423601.db2.gz IWCJKEAJFOZYKR-ZDXQCDESSA-N 1 2 502.637 1.192 40 0 KDABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC001534612600 1066423592 /nfs/dbraw/zinc/42/35/92/1066423592.db2.gz IWCJKEAJFOZYKR-ZDXQCDESSA-N 1 2 502.637 1.192 40 0 KDABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC001534612600 1066423586 /nfs/dbraw/zinc/42/35/86/1066423586.db2.gz IWCJKEAJFOZYKR-ZDXQCDESSA-N 1 2 502.637 1.192 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4cnn(C)c4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612664 1066423537 /nfs/dbraw/zinc/42/35/37/1066423537.db2.gz JPMNBLWUMKODIQ-PWWKTKHKSA-N 1 2 527.647 1.312 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4cnn(C)c4)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612664 1066423525 /nfs/dbraw/zinc/42/35/25/1066423525.db2.gz JPMNBLWUMKODIQ-PWWKTKHKSA-N 1 2 527.647 1.312 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4cnn(C)c4)C[C@H]2[N@@H+](C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612664 1066423519 /nfs/dbraw/zinc/42/35/19/1066423519.db2.gz JPMNBLWUMKODIQ-PWWKTKHKSA-N 1 2 527.647 1.312 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4cnn(C)c4)C[C@H]2[N@H+](C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534612664 1066423508 /nfs/dbraw/zinc/42/35/08/1066423508.db2.gz JPMNBLWUMKODIQ-PWWKTKHKSA-N 1 2 527.647 1.312 40 0 KDABLO C[N@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(Cc3ccncc3)C[C@H]21 ZINC001534612721 1066423451 /nfs/dbraw/zinc/42/34/51/1066423451.db2.gz JZFQZVMTNAIQKN-ZDXQCDESSA-N 1 2 502.637 1.192 40 0 KDABLO C[N@@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(Cc3ccncc3)C[C@H]21 ZINC001534612721 1066423443 /nfs/dbraw/zinc/42/34/43/1066423443.db2.gz JZFQZVMTNAIQKN-ZDXQCDESSA-N 1 2 502.637 1.192 40 0 KDABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC001534612721 1066423431 /nfs/dbraw/zinc/42/34/31/1066423431.db2.gz JZFQZVMTNAIQKN-ZDXQCDESSA-N 1 2 502.637 1.192 40 0 KDABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC001534612721 1066423428 /nfs/dbraw/zinc/42/34/28/1066423428.db2.gz JZFQZVMTNAIQKN-ZDXQCDESSA-N 1 2 502.637 1.192 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(CCC(F)(F)F)C[C@H]2[N@@H+](C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612748 1066423650 /nfs/dbraw/zinc/42/36/50/1066423650.db2.gz KGBVFFAJUZCVTR-VWPQPMDRSA-N 1 2 548.628 1.381 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2CN(CCC(F)(F)F)C[C@H]2[N@H+](C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612748 1066423646 /nfs/dbraw/zinc/42/36/46/1066423646.db2.gz KGBVFFAJUZCVTR-VWPQPMDRSA-N 1 2 548.628 1.381 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612748 1066423642 /nfs/dbraw/zinc/42/36/42/1066423642.db2.gz KGBVFFAJUZCVTR-VWPQPMDRSA-N 1 2 548.628 1.381 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612748 1066423640 /nfs/dbraw/zinc/42/36/40/1066423640.db2.gz KGBVFFAJUZCVTR-VWPQPMDRSA-N 1 2 548.628 1.381 40 0 KDABLO C[N@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(Cc3ccccc3F)C[C@H]21 ZINC001534612786 1066423749 /nfs/dbraw/zinc/42/37/49/1066423749.db2.gz KIVYFRGLVDOBID-PWWKTKHKSA-N 1 2 519.639 1.936 40 0 KDABLO C[N@@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(Cc3ccccc3F)C[C@H]21 ZINC001534612786 1066423746 /nfs/dbraw/zinc/42/37/46/1066423746.db2.gz KIVYFRGLVDOBID-PWWKTKHKSA-N 1 2 519.639 1.936 40 0 KDABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC001534612786 1066423742 /nfs/dbraw/zinc/42/37/42/1066423742.db2.gz KIVYFRGLVDOBID-PWWKTKHKSA-N 1 2 519.639 1.936 40 0 KDABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@H+](Cc3ccccc3F)C[C@H]21 ZINC001534612786 1066423738 /nfs/dbraw/zinc/42/37/38/1066423738.db2.gz KIVYFRGLVDOBID-PWWKTKHKSA-N 1 2 519.639 1.936 40 0 KDABLO Cc1cccnc1C[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(C3CCOCC3)ccc1S(=O)(=O)NC[C@H](O)CN2C ZINC001534612798 1066423776 /nfs/dbraw/zinc/42/37/76/1066423776.db2.gz KJLGCPDPTQQBFN-PWWKTKHKSA-N 1 2 516.664 1.500 40 0 KDABLO Cc1cccnc1C[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(C3CCOCC3)ccc1S(=O)(=O)NC[C@H](O)CN2C ZINC001534612798 1066423772 /nfs/dbraw/zinc/42/37/72/1066423772.db2.gz KJLGCPDPTQQBFN-PWWKTKHKSA-N 1 2 516.664 1.500 40 0 KDABLO Cn1cccc1CN1C[C@@H]2[C@H](C1)Oc1cc(C3CCOCC3)ccc1S(=O)(=O)NC[C@H](O)C[N@H+]2C ZINC001534612827 1066423675 /nfs/dbraw/zinc/42/36/75/1066423675.db2.gz LZPYPUWNEWDNBW-ZDXQCDESSA-N 1 2 504.653 1.136 40 0 KDABLO Cn1cccc1CN1C[C@@H]2[C@H](C1)Oc1cc(C3CCOCC3)ccc1S(=O)(=O)NC[C@H](O)C[N@@H+]2C ZINC001534612827 1066423671 /nfs/dbraw/zinc/42/36/71/1066423671.db2.gz LZPYPUWNEWDNBW-ZDXQCDESSA-N 1 2 504.653 1.136 40 0 KDABLO Cn1cccc1C[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(C3CCOCC3)ccc1S(=O)(=O)NC[C@H](O)CN2C ZINC001534612827 1066423668 /nfs/dbraw/zinc/42/36/68/1066423668.db2.gz LZPYPUWNEWDNBW-ZDXQCDESSA-N 1 2 504.653 1.136 40 0 KDABLO Cn1cccc1C[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(C3CCOCC3)ccc1S(=O)(=O)NC[C@H](O)CN2C ZINC001534612827 1066423662 /nfs/dbraw/zinc/42/36/62/1066423662.db2.gz LZPYPUWNEWDNBW-ZDXQCDESSA-N 1 2 504.653 1.136 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ncccc4C)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612850 1066423688 /nfs/dbraw/zinc/42/36/88/1066423688.db2.gz NUHYVKZVOUXENY-RELGLDOUSA-N 1 2 557.717 1.332 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ncccc4C)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534612850 1066423682 /nfs/dbraw/zinc/42/36/82/1066423682.db2.gz NUHYVKZVOUXENY-RELGLDOUSA-N 1 2 557.717 1.332 40 0 KDABLO C[N@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001534613058 1066425028 /nfs/dbraw/zinc/42/50/28/1066425028.db2.gz OFRCNDCNJVBXSY-NSHGMRRFSA-N 1 2 507.575 1.549 40 0 KDABLO C[N@@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001534613058 1066425026 /nfs/dbraw/zinc/42/50/26/1066425026.db2.gz OFRCNDCNJVBXSY-NSHGMRRFSA-N 1 2 507.575 1.549 40 0 KDABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]21 ZINC001534613058 1066425021 /nfs/dbraw/zinc/42/50/21/1066425021.db2.gz OFRCNDCNJVBXSY-NSHGMRRFSA-N 1 2 507.575 1.549 40 0 KDABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]21 ZINC001534613058 1066425020 /nfs/dbraw/zinc/42/50/20/1066425020.db2.gz OFRCNDCNJVBXSY-NSHGMRRFSA-N 1 2 507.575 1.549 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccccc4F)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534613067 1066425007 /nfs/dbraw/zinc/42/50/07/1066425007.db2.gz PCFQDJGXUYNYAB-RELGLDOUSA-N 1 2 560.692 1.768 40 0 KDABLO CC(=O)N1CCC(c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccccc4F)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)CC1 ZINC001534613067 1066425005 /nfs/dbraw/zinc/42/50/05/1066425005.db2.gz PCFQDJGXUYNYAB-RELGLDOUSA-N 1 2 560.692 1.768 40 0 KDABLO Cc1cccnc1C[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3cccnc3)ccc1S(=O)(=O)NC[C@H](O)CN2C ZINC001534613145 1066424960 /nfs/dbraw/zinc/42/49/60/1066424960.db2.gz PXZWTGYRWNQEFE-PWWKTKHKSA-N 1 2 509.632 1.668 40 0 KDABLO Cc1cccnc1C[N@@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3cccnc3)ccc1S(=O)(=O)NC[C@H](O)CN2C ZINC001534613145 1066424952 /nfs/dbraw/zinc/42/49/52/1066424952.db2.gz PXZWTGYRWNQEFE-PWWKTKHKSA-N 1 2 509.632 1.668 40 0 KDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccccc4F)C[C@H]2[N@@H+](C)C[C@@H](O)CNS3(=O)=O)cn1 ZINC001534613177 1066424932 /nfs/dbraw/zinc/42/49/32/1066424932.db2.gz QFFQYBHCEMEPNN-FJIJXJHWSA-N 1 2 515.611 1.443 40 0 KDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2CN(Cc4ccccc4F)C[C@H]2[N@H+](C)C[C@@H](O)CNS3(=O)=O)cn1 ZINC001534613177 1066424914 /nfs/dbraw/zinc/42/49/14/1066424914.db2.gz QFFQYBHCEMEPNN-FJIJXJHWSA-N 1 2 515.611 1.443 40 0 KDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccccc4F)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)cn1 ZINC001534613177 1066424904 /nfs/dbraw/zinc/42/49/04/1066424904.db2.gz QFFQYBHCEMEPNN-FJIJXJHWSA-N 1 2 515.611 1.443 40 0 KDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccccc4F)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)cn1 ZINC001534613177 1066424882 /nfs/dbraw/zinc/42/48/82/1066424882.db2.gz QFFQYBHCEMEPNN-FJIJXJHWSA-N 1 2 515.611 1.443 40 0 KDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2CN(CCC(F)(F)F)C[C@H]2[N@@H+](C)C[C@@H](O)CNS3(=O)=O)cn1 ZINC001534613208 1066424322 /nfs/dbraw/zinc/42/43/22/1066424322.db2.gz QKARVVYWZLMDRE-SCTDSRPQSA-N 1 2 503.547 1.056 40 0 KDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2CN(CCC(F)(F)F)C[C@H]2[N@H+](C)C[C@@H](O)CNS3(=O)=O)cn1 ZINC001534613208 1066424309 /nfs/dbraw/zinc/42/43/09/1066424309.db2.gz QKARVVYWZLMDRE-SCTDSRPQSA-N 1 2 503.547 1.056 40 0 KDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)cn1 ZINC001534613208 1066424303 /nfs/dbraw/zinc/42/43/03/1066424303.db2.gz QKARVVYWZLMDRE-SCTDSRPQSA-N 1 2 503.547 1.056 40 0 KDABLO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]2N(C)C[C@@H](O)CNS3(=O)=O)cn1 ZINC001534613208 1066424281 /nfs/dbraw/zinc/42/42/81/1066424281.db2.gz QKARVVYWZLMDRE-SCTDSRPQSA-N 1 2 503.547 1.056 40 0 KDABLO C[N@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC001534613407 1066424753 /nfs/dbraw/zinc/42/47/53/1066424753.db2.gz TZFPHBONHYVJGO-ZDXQCDESSA-N 1 2 502.637 1.192 40 0 KDABLO C[N@@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC001534613407 1066424743 /nfs/dbraw/zinc/42/47/43/1066424743.db2.gz TZFPHBONHYVJGO-ZDXQCDESSA-N 1 2 502.637 1.192 40 0 KDABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC001534613407 1066424733 /nfs/dbraw/zinc/42/47/33/1066424733.db2.gz TZFPHBONHYVJGO-ZDXQCDESSA-N 1 2 502.637 1.192 40 0 KDABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(C3CCOCC3)cc2O[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC001534613407 1066424719 /nfs/dbraw/zinc/42/47/19/1066424719.db2.gz TZFPHBONHYVJGO-ZDXQCDESSA-N 1 2 502.637 1.192 40 0 KDABLO C[N@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001534613475 1066424863 /nfs/dbraw/zinc/42/48/63/1066424863.db2.gz UMSHMBNAGQONTG-NSHGMRRFSA-N 1 2 500.543 1.717 40 0 KDABLO C[N@@H+]1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]2CN(CCC(F)(F)F)C[C@H]21 ZINC001534613475 1066424857 /nfs/dbraw/zinc/42/48/57/1066424857.db2.gz UMSHMBNAGQONTG-NSHGMRRFSA-N 1 2 500.543 1.717 40 0 KDABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]21 ZINC001534613475 1066424851 /nfs/dbraw/zinc/42/48/51/1066424851.db2.gz UMSHMBNAGQONTG-NSHGMRRFSA-N 1 2 500.543 1.717 40 0 KDABLO CN1C[C@@H](O)CNS(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]21 ZINC001534613475 1066424840 /nfs/dbraw/zinc/42/48/40/1066424840.db2.gz UMSHMBNAGQONTG-NSHGMRRFSA-N 1 2 500.543 1.717 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4nccn4C)C[C@H]2[N@@H+](C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534613482 1066424810 /nfs/dbraw/zinc/42/48/10/1066424810.db2.gz USNHUNJFKVQKKH-FJIJXJHWSA-N 1 2 527.647 1.312 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4nccn4C)C[C@H]2[N@H+](C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534613482 1066424800 /nfs/dbraw/zinc/42/48/00/1066424800.db2.gz USNHUNJFKVQKKH-FJIJXJHWSA-N 1 2 527.647 1.312 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4cncnc4)C[C@H]2[N@@H+](C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534613788 1066425486 /nfs/dbraw/zinc/42/54/86/1066425486.db2.gz YFSCODFDXQZRKH-PWWKTKHKSA-N 1 2 525.631 1.369 40 0 KDABLO COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4cncnc4)C[C@H]2[N@H+](C)C[C@@H](O)CNS3(=O)=O)c1 ZINC001534613788 1066425482 /nfs/dbraw/zinc/42/54/82/1066425482.db2.gz YFSCODFDXQZRKH-PWWKTKHKSA-N 1 2 525.631 1.369 40 0 KDABLO Cn1cc(-c2ccc3c(c2)OCCC2(CC[NH+](Cc4nccs4)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2S3(=O)=O)cn1 ZINC001548889068 1066428091 /nfs/dbraw/zinc/42/80/91/1066428091.db2.gz FZHRWCQEZJYIMD-RTWAWAEBSA-N 1 2 572.713 1.601 40 0 KDABLO O=C1NC2(CC[NH+](Cc3nccs3)CC2)CCOc2cc(N3CCOCC3)ccc2S(=O)(=O)N2C[C@H](O)C[C@@H]12 ZINC001548889611 1066428846 /nfs/dbraw/zinc/42/88/46/1066428846.db2.gz IHQQWKZSWWUAAG-RTWAWAEBSA-N 1 2 577.729 1.037 40 0 KDABLO Cn1ccnc1C[NH+]1CCC2(CC1)CCOc1cc(-c3cccnc3)ccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N2 ZINC001548890616 1066429483 /nfs/dbraw/zinc/42/94/83/1066429483.db2.gz UFQKHIFOBXWTEJ-PKTZIBPZSA-N 1 2 566.684 1.540 40 0 KDABLO CN(C)C(=O)[C@H]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cn2)=C(NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC001560410680 1066431593 /nfs/dbraw/zinc/43/15/93/1066431593.db2.gz FJFNUPSRKJURKH-ZDUSSCGKSA-N 1 2 546.053 1.764 40 0 KDABLO CN(C)C(=O)[C@H]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cn2)=C(NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC001560410680 1066431585 /nfs/dbraw/zinc/43/15/85/1066431585.db2.gz FJFNUPSRKJURKH-ZDUSSCGKSA-N 1 2 546.053 1.764 40 0 KDABLO