smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(CN3CC[NH+](CC(C)(C)O)CC3)cc2)CC1 ZINC000775674480 580396848 /nfs/dbraw/zinc/39/68/48/580396848.db2.gz DGGMXUUXHXCLLG-UHFFFAOYSA-N 2 0 346.519 1.327 20 10 EDCDRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892079513 590787737 /nfs/dbraw/zinc/78/77/37/590787737.db2.gz IJIQLALVJQHQDT-YJBOKZPZSA-N 2 0 345.491 1.236 20 10 EDCDRP CN(C)c1ccc([C@@H](CNc2cc[nH+]cc2C(N)=O)[NH+](C)C)cc1 ZINC000897525084 591528992 /nfs/dbraw/zinc/52/89/92/591528992.db2.gz JTZVBIHWIQHAML-QGZVFWFLSA-N 2 0 327.432 1.383 20 10 EDCDRP C[NH+]1CCN(c2ccc(CN3CC4(C3)CCNC(=O)O4)cc2)CC1 ZINC000897751754 591643232 /nfs/dbraw/zinc/64/32/32/591643232.db2.gz SURFUFXCMBXIDW-UHFFFAOYSA-N 2 0 330.432 1.123 20 10 EDCDRP COc1ccc(N2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903734368 592297931 /nfs/dbraw/zinc/29/79/31/592297931.db2.gz YILCYRGINRXIKB-LJQANCHMSA-N 2 0 345.487 1.976 20 10 EDCDRP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)[N@H+]1CCO ZINC000824926985 594098528 /nfs/dbraw/zinc/09/85/28/594098528.db2.gz YPBLVNJFVSCYMF-HDICACEKSA-N 2 0 346.519 1.325 20 10 EDCDRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841845931 594963688 /nfs/dbraw/zinc/96/36/88/594963688.db2.gz ICJWHTOZJLBCSM-QZTJIDSGSA-N 2 0 326.444 1.877 20 10 EDCDRP COc1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)cc1 ZINC000849350828 595509564 /nfs/dbraw/zinc/50/95/64/595509564.db2.gz XPYYKQRBXJBTNN-JKSUJKDBSA-N 2 0 346.475 1.061 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000852791430 595544834 /nfs/dbraw/zinc/54/48/34/595544834.db2.gz HGMRUGPNBHMUKG-HNNXBMFYSA-N 2 0 344.484 1.890 20 10 EDCDRP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852746110 596237620 /nfs/dbraw/zinc/23/76/20/596237620.db2.gz IMJFIPFBDRYHLH-GOSISDBHSA-N 2 0 331.460 1.476 20 10 EDCDRP COc1ccc(O)c(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863641860 596640802 /nfs/dbraw/zinc/64/08/02/596640802.db2.gz DLOXIIPXFMPYJM-WBVHZDCISA-N 2 0 347.415 1.158 20 10 EDCDRP Cc1cc(O)c(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1C ZINC000863642634 596641407 /nfs/dbraw/zinc/64/14/07/596641407.db2.gz TYJYHZASSMYIEW-AEFFLSMTSA-N 2 0 345.443 1.766 20 10 EDCDRP COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000273621782 443583342 /nfs/dbraw/zinc/58/33/42/443583342.db2.gz ZHAJOBIPMAEINJ-UONOGXRCSA-N 2 0 335.448 1.465 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000276993189 443887686 /nfs/dbraw/zinc/88/76/86/443887686.db2.gz GYASEYITZZJHAT-JKSUJKDBSA-N 2 0 348.491 1.307 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)[C@H](C)[NH3+])cc2F)CC1 ZINC000277120371 443916546 /nfs/dbraw/zinc/91/65/46/443916546.db2.gz WSDPEQWUAHOFLV-KBPBESRZSA-N 2 0 336.455 1.567 20 10 EDCDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2c(cc1O)OCO2 ZINC000289491170 444157728 /nfs/dbraw/zinc/15/77/28/444157728.db2.gz RPCRUJLZCOYHKQ-MRXNPFEDSA-N 2 0 349.475 1.969 20 10 EDCDRP COc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(O)c1OC ZINC000895843963 591283484 /nfs/dbraw/zinc/28/34/84/591283484.db2.gz QMTATXCKMZARHN-UHFFFAOYSA-N 2 0 349.475 1.621 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CC(=O)N(C4CC4)C3)cc2)CC1 ZINC000846071583 595136775 /nfs/dbraw/zinc/13/67/75/595136775.db2.gz GMDFZFIRXZEKDI-KRWDZBQOSA-N 2 0 342.487 1.539 20 10 EDCDRP C[NH+](C)CCn1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000846074713 595136798 /nfs/dbraw/zinc/13/67/98/595136798.db2.gz ZEQWYVUOXCZSNW-UHFFFAOYSA-N 2 0 342.491 1.809 20 10 EDCDRP CC[N@H+](Cc1cc(Br)ccc1O)C[C@](C)(O)C[NH2+]C ZINC000846219826 595177656 /nfs/dbraw/zinc/17/76/56/595177656.db2.gz YVVLFAACGZHZMZ-CQSZACIVSA-N 2 0 331.254 1.947 20 10 EDCDRP COc1cccc(O)c1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843058532 595276064 /nfs/dbraw/zinc/27/60/64/595276064.db2.gz VEKMXYQQZLLKJG-GDBMZVCRSA-N 2 0 347.459 1.481 20 10 EDCDRP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000844224222 595308520 /nfs/dbraw/zinc/30/85/20/595308520.db2.gz DLWFWUXGKDJJBL-HDICACEKSA-N 2 0 344.503 1.642 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852791754 595544750 /nfs/dbraw/zinc/54/47/50/595544750.db2.gz LTIZTINOQFOFQQ-UKRRQHHQSA-N 2 0 344.381 1.411 20 10 EDCDRP CN1C[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1=O ZINC000862428660 596327193 /nfs/dbraw/zinc/32/71/93/596327193.db2.gz UJUGPINFMCJCMJ-SFHVURJKSA-N 2 0 330.476 1.491 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCC[C@@H]3CCOC3=O)cc2)CC1 ZINC000873160488 597214596 /nfs/dbraw/zinc/21/45/96/597214596.db2.gz DCLBOZNIXLLBAD-QGZVFWFLSA-N 2 0 331.460 1.871 20 10 EDCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)n1cncn1 ZINC000883290369 597701998 /nfs/dbraw/zinc/70/19/98/597701998.db2.gz SJPNNFWGMSEJFK-MRXNPFEDSA-N 2 0 342.491 1.943 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(N4CCOCC4)CC3)cc2)CC1 ZINC000766226740 580162227 /nfs/dbraw/zinc/16/22/27/580162227.db2.gz WSNAGCVKFSPHIN-UHFFFAOYSA-N 2 0 344.503 1.393 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc2)CC1 ZINC000771866754 580297112 /nfs/dbraw/zinc/29/71/12/580297112.db2.gz VZPVCUCHNRXDGC-OAHLLOKOSA-N 2 0 331.382 1.841 20 10 EDCDRP CN1CCC([N@H+](CCO)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775633240 580395733 /nfs/dbraw/zinc/39/57/33/580395733.db2.gz GIKJKSUZHCKMSJ-UHFFFAOYSA-N 2 0 346.519 1.327 20 10 EDCDRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892939154 591230936 /nfs/dbraw/zinc/23/09/36/591230936.db2.gz INAHNGVAPVTRIJ-GDBMZVCRSA-N 2 0 331.464 1.070 20 10 EDCDRP CC[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898557879 591410189 /nfs/dbraw/zinc/41/01/89/591410189.db2.gz KOLYMNIDZQEWMR-SFHVURJKSA-N 2 0 330.476 1.539 20 10 EDCDRP CN(C)c1ccc([C@H](CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000902519307 592009784 /nfs/dbraw/zinc/00/97/84/592009784.db2.gz YXQQHJVZARLQTP-XUVXKRRUSA-N 2 0 346.519 1.712 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CC3(O)CCCC3)cc2)CC1 ZINC000905425695 592531513 /nfs/dbraw/zinc/53/15/13/592531513.db2.gz ADSPBPPQGWAYSY-IBGZPJMESA-N 2 0 347.503 1.584 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](CO)OC(C)(C)C3)cc2)CC1 ZINC000817412491 593603236 /nfs/dbraw/zinc/60/32/36/593603236.db2.gz LTQZYWWODUBKJS-GOSISDBHSA-N 2 0 333.476 1.410 20 10 EDCDRP COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000817897417 593646616 /nfs/dbraw/zinc/64/66/16/593646616.db2.gz OMISIKXXBYUZQI-XLIONFOSSA-N 2 0 346.519 1.924 20 10 EDCDRP O[C@H]1CC[N@@H+](C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000827700851 594260335 /nfs/dbraw/zinc/26/03/35/594260335.db2.gz YESDBNPVUNTVDH-FQEVSTJZSA-N 2 0 345.487 1.554 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]([NH3+])C3CC3)cc2F)CC1 ZINC000828883923 594524026 /nfs/dbraw/zinc/52/40/26/594524026.db2.gz VBMJBRUJUKYDJO-QGZVFWFLSA-N 2 0 348.466 1.711 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@H+](CCOCCO)C3CCC3)cc2)CC1 ZINC000827204283 594652384 /nfs/dbraw/zinc/65/23/84/594652384.db2.gz QFZWUGCRIMBOTO-UHFFFAOYSA-N 2 0 347.503 1.802 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)[C@@H]3CCCOC3)cc2)CC1 ZINC000840962104 594833365 /nfs/dbraw/zinc/83/33/65/594833365.db2.gz FJODTEGTRIQLEG-MJGOQNOKSA-N 2 0 333.476 1.316 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[NH2+]C(C)C)CC2)cc1 ZINC000851629821 595861202 /nfs/dbraw/zinc/86/12/02/595861202.db2.gz AYIIEXPTRNHZQR-UHFFFAOYSA-N 2 0 348.491 1.322 20 10 EDCDRP CN1CC[NH+](CC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)CC1 ZINC000289457833 444150318 /nfs/dbraw/zinc/15/03/18/444150318.db2.gz NZMMZJABGXAETL-UHFFFAOYSA-N 2 0 347.459 1.580 20 10 EDCDRP COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775717268 580398277 /nfs/dbraw/zinc/39/82/77/580398277.db2.gz NWUADAHYJITPLI-SFHVURJKSA-N 2 0 331.460 1.966 20 10 EDCDRP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000787422098 580694977 /nfs/dbraw/zinc/69/49/77/580694977.db2.gz ZVDNNNDCHRGYRV-CRAIPNDOSA-N 2 0 331.460 1.822 20 10 EDCDRP C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CCO2 ZINC000793230040 580838922 /nfs/dbraw/zinc/83/89/22/580838922.db2.gz CNTVMFSDNOXENR-XLIONFOSSA-N 2 0 345.487 1.818 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)cc2)CC1 ZINC000798957548 581012337 /nfs/dbraw/zinc/01/23/37/581012337.db2.gz FUNYSWRGESDIRJ-AEFFLSMTSA-N 2 0 344.459 1.369 20 10 EDCDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000893327824 590782266 /nfs/dbraw/zinc/78/22/66/590782266.db2.gz PUTGDUGRWUIFHX-UHFFFAOYSA-N 2 0 337.464 1.527 20 10 EDCDRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000817946307 593650979 /nfs/dbraw/zinc/65/09/79/593650979.db2.gz WGYILAXIQGWVPV-SNVBAGLBSA-N 2 0 342.237 1.237 20 10 EDCDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000817972888 593652560 /nfs/dbraw/zinc/65/25/60/593652560.db2.gz PDIPNVZBKWWVJT-ABAIWWIYSA-N 2 0 347.381 1.888 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)CC3([NH3+])CCC3)cc2F)CC1 ZINC000828877336 594522718 /nfs/dbraw/zinc/52/27/18/594522718.db2.gz QAUWVVGLUAVZKW-UHFFFAOYSA-N 2 0 348.466 1.855 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000841845912 594963740 /nfs/dbraw/zinc/96/37/40/594963740.db2.gz HRTWEGDHJWDTEB-ZWKOTPCHSA-N 2 0 326.444 1.611 20 10 EDCDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843047974 595273576 /nfs/dbraw/zinc/27/35/76/595273576.db2.gz FUBLXGRWYWZRCZ-SFHVURJKSA-N 2 0 344.503 1.964 20 10 EDCDRP CN(C)c1ccc(CN(C)C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000844221448 595305906 /nfs/dbraw/zinc/30/59/06/595305906.db2.gz MXHZMFGVOVLXJF-JJTKIYQPSA-N 2 0 344.503 1.926 20 10 EDCDRP COCCC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CC[NH2+]CC1 ZINC000873224836 597232565 /nfs/dbraw/zinc/23/25/65/597232565.db2.gz NGYCPLWIONOQLV-UHFFFAOYSA-N 2 0 333.476 1.772 20 10 EDCDRP C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367159384 250193384 /nfs/dbraw/zinc/19/33/84/250193384.db2.gz NJWVFUFVZAUYTA-GDBMZVCRSA-N 2 0 347.459 1.579 20 10 EDCDRP CN1CCC(CNC(=O)c2cccc(O)c2O)([NH+]2CCCCC2)CC1 ZINC000189444556 442955051 /nfs/dbraw/zinc/95/50/51/442955051.db2.gz FIGGPXYEEUOOIA-UHFFFAOYSA-N 2 0 347.459 1.778 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2F)CC1 ZINC000730286757 578639882 /nfs/dbraw/zinc/63/98/82/578639882.db2.gz XKXTUGPVXJMHRQ-MRXNPFEDSA-N 2 0 348.466 1.536 20 10 EDCDRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1OC ZINC000775979237 580405651 /nfs/dbraw/zinc/40/56/51/580405651.db2.gz SVBCPWRPCUZSAZ-IPMKNSEASA-N 2 0 333.476 1.720 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)cc2)CC1 ZINC000787423445 580695120 /nfs/dbraw/zinc/69/51/20/580695120.db2.gz NEOKVHKLRSNUFT-QXAKKESOSA-N 2 0 342.487 1.524 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC3CCC([NH3+])CC3)cc2)CC1 ZINC000892023722 590754280 /nfs/dbraw/zinc/75/42/80/590754280.db2.gz KSLAPGBZIBTXHX-UHFFFAOYSA-N 2 0 345.491 1.508 20 10 EDCDRP C[C@@H]1[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000896618679 591553997 /nfs/dbraw/zinc/55/39/97/591553997.db2.gz RBVIGKTVRSWHKJ-OLMNPRSZSA-N 2 0 347.507 1.747 20 10 EDCDRP CN(C)c1ccc([C@H](CN[C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)[NH+](C)C)cc1 ZINC000902519309 592009899 /nfs/dbraw/zinc/00/98/99/592009899.db2.gz YXRYAHYMLOEJLC-AMQFHODYSA-N 2 0 328.504 1.941 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCN3C[C@H]4CC[C@@H](C3)O4)cc2)CC1 ZINC000830609263 594437112 /nfs/dbraw/zinc/43/71/12/594437112.db2.gz AQHAFGHKIJONGY-BGYRXZFFSA-N 2 0 344.503 1.391 20 10 EDCDRP CN(C)c1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841069946 594847369 /nfs/dbraw/zinc/84/73/69/594847369.db2.gz GPCMAMZRCWCXEK-HNNXBMFYSA-N 2 0 330.398 1.678 20 10 EDCDRP COc1cc(O)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1OC ZINC000841086398 594849099 /nfs/dbraw/zinc/84/90/99/594849099.db2.gz AEFSESOYBBGJLD-UHFFFAOYSA-N 2 0 349.475 1.715 20 10 EDCDRP Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1C ZINC000843047672 595272532 /nfs/dbraw/zinc/27/25/32/595272532.db2.gz ZSBAPAGASAPUSC-MRXNPFEDSA-N 2 0 331.460 1.653 20 10 EDCDRP CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1O ZINC000843122408 595292374 /nfs/dbraw/zinc/29/23/74/595292374.db2.gz SCHOSVWNYHZLEN-OAHLLOKOSA-N 2 0 335.448 1.610 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000848716359 595435048 /nfs/dbraw/zinc/43/50/48/595435048.db2.gz BZWWNNPQMSJIOI-IRXDYDNUSA-N 2 0 332.492 1.677 20 10 EDCDRP COc1cc(C)cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1O ZINC000872638120 597003791 /nfs/dbraw/zinc/00/37/91/597003791.db2.gz YACLFAMFXSANJA-IAGOWNOFSA-N 2 0 335.492 1.880 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc4n3CCOC4)cc2)CC1 ZINC000922333588 711097722 /nfs/dbraw/zinc/09/77/22/711097722.db2.gz SCFNRRAYNJZZTR-UHFFFAOYSA-N 2 0 341.459 1.455 20 10 EDCDRP COc1ccc(N2CCC([NH2+]C[C@@H](C)N3CC[NH+](C)CC3)CC2)cc1 ZINC000127546489 533999995 /nfs/dbraw/zinc/99/99/95/533999995.db2.gz FUDRKQZQOVKMQV-QGZVFWFLSA-N 2 0 346.519 1.890 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCn4ccnc4C3)cc2)CC1 ZINC000778188143 580458245 /nfs/dbraw/zinc/45/82/45/580458245.db2.gz RZLBOCYXUWAAHH-KRWDZBQOSA-N 2 0 325.460 1.740 20 10 EDCDRP CC[C@@H](CO)[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775723541 580398525 /nfs/dbraw/zinc/39/85/25/580398525.db2.gz BFYCNLRTDNPPBN-IBGZPJMESA-N 2 0 346.519 1.327 20 10 EDCDRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1OC ZINC000775979239 580405634 /nfs/dbraw/zinc/40/56/34/580405634.db2.gz SVBCPWRPCUZSAZ-QRVBRYPASA-N 2 0 333.476 1.720 20 10 EDCDRP C[NH+](C)C[C@@H]1CN(C(=O)NCCc2ccc(N)cc2)C[C@H]1C[NH+](C)C ZINC000892038690 590765605 /nfs/dbraw/zinc/76/56/05/590765605.db2.gz HMGFADMZYLXYEJ-IAGOWNOFSA-N 2 0 347.507 1.192 20 10 EDCDRP CCN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000892939473 591231883 /nfs/dbraw/zinc/23/18/83/591231883.db2.gz LQZXDWMMRHFFOH-GOSISDBHSA-N 2 0 345.491 1.332 20 10 EDCDRP CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898545472 591404476 /nfs/dbraw/zinc/40/44/76/591404476.db2.gz KOLYMNIDZQEWMR-GOSISDBHSA-N 2 0 330.476 1.539 20 10 EDCDRP CN(C)c1ccc([C@H](C[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)N(C)C)cc1 ZINC000902516809 592009554 /nfs/dbraw/zinc/00/95/54/592009554.db2.gz GXMQFQKWJGACSL-SQIBXOBRSA-N 2 0 346.519 1.697 20 10 EDCDRP O=[N+]([O-])c1cc(CN2CC[NH2+]CC[NH2+]CC2)ccc1N1CCCCC1 ZINC000904396825 592244476 /nfs/dbraw/zinc/24/44/76/592244476.db2.gz RIGOQKVGOLLICM-UHFFFAOYSA-N 2 0 347.463 1.580 20 10 EDCDRP COc1ccc(N(C)CC[N@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903768667 592310347 /nfs/dbraw/zinc/31/03/47/592310347.db2.gz OSDQPHPSZIKGBA-RBUKOAKNSA-N 2 0 333.476 1.832 20 10 EDCDRP NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cc2)C1 ZINC000817889913 593645365 /nfs/dbraw/zinc/64/53/65/593645365.db2.gz QKLUDJUSOAIKBM-JENIJYKNSA-N 2 0 344.503 1.995 20 10 EDCDRP O=[N+]([O-])c1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1N1CCCCC1 ZINC000841044740 594843685 /nfs/dbraw/zinc/84/36/85/594843685.db2.gz GYFOCJPJGJYQLB-UHFFFAOYSA-N 2 0 347.463 1.580 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[NH2+]C3)cc2F)CC1 ZINC000841797669 594954706 /nfs/dbraw/zinc/95/47/06/594954706.db2.gz SGYGDUNMQJQGIX-HNNXBMFYSA-N 2 0 349.454 1.129 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2([NH3+])Cc3ccccc3C2)cc1 ZINC000841846519 594963897 /nfs/dbraw/zinc/96/38/97/594963897.db2.gz PFFFJUHTZOMXGO-SFHVURJKSA-N 2 0 338.455 1.365 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(OCCC[NH3+])CC3)cc2)CC1 ZINC000843056386 595276367 /nfs/dbraw/zinc/27/63/67/595276367.db2.gz ISWUAWMCISHZCJ-UHFFFAOYSA-N 3 0 346.519 1.768 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000843059303 595276442 /nfs/dbraw/zinc/27/64/42/595276442.db2.gz JZVALHHQKUIFFF-IHPCNDPISA-N 3 0 328.504 1.998 20 10 EDCDRP Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1O ZINC000843056929 595276447 /nfs/dbraw/zinc/27/64/47/595276447.db2.gz CMHCLHPOWTVGJW-RDJZCZTQSA-N 2 0 331.460 1.781 20 10 EDCDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000843122363 595292438 /nfs/dbraw/zinc/29/24/38/595292438.db2.gz RAWIRXUAVJFFHG-SFHVURJKSA-N 2 0 332.492 1.881 20 10 EDCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CN2CCC1CC2 ZINC000877705983 597549231 /nfs/dbraw/zinc/54/92/31/597549231.db2.gz CUMZMPWTVDRQIH-FQEVSTJZSA-N 2 0 328.504 1.964 20 10 EDCDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)CC1 ZINC000768464549 580213962 /nfs/dbraw/zinc/21/39/62/580213962.db2.gz BFHRJQOJJZYWIG-KDOFPFPSSA-N 2 0 332.444 1.982 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC(C(N)=O)CC3)cc2)CC1 ZINC000771849292 580296547 /nfs/dbraw/zinc/29/65/47/580296547.db2.gz UDEFLJMNSFREKX-UHFFFAOYSA-N 2 0 330.476 1.572 20 10 EDCDRP COCCOC[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775725817 580398605 /nfs/dbraw/zinc/39/86/05/580398605.db2.gz QYCDVLXRALYYKH-IBGZPJMESA-N 2 0 347.503 1.923 20 10 EDCDRP COc1cc(C)cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC000894242905 591242905 /nfs/dbraw/zinc/24/29/05/591242905.db2.gz BTINJSGOCQZRKS-AWEZNQCLSA-N 2 0 335.448 1.386 20 10 EDCDRP C[C@@H](CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[NH+](C)C ZINC000899097996 591677219 /nfs/dbraw/zinc/67/72/19/591677219.db2.gz KAUAUTRGJCGWMP-MAUKXSAKSA-N 2 0 349.523 1.995 20 10 EDCDRP COc1ccc(N2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903734367 592298255 /nfs/dbraw/zinc/29/82/55/592298255.db2.gz YILCYRGINRXIKB-IBGZPJMESA-N 2 0 345.487 1.976 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNCc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903917979 592390111 /nfs/dbraw/zinc/39/01/11/592390111.db2.gz PMKAGRLCIGQFGD-WMZOPIPTSA-N 2 0 343.479 1.058 20 10 EDCDRP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000817888481 593645127 /nfs/dbraw/zinc/64/51/27/593645127.db2.gz GJZWVUZRSJOEPQ-JZXOWHBKSA-N 2 0 330.476 1.605 20 10 EDCDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000825275393 594159940 /nfs/dbraw/zinc/15/99/40/594159940.db2.gz KHPFEDISDKUMNP-UHFFFAOYSA-N 2 0 335.448 1.627 20 10 EDCDRP FC(F)(F)[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)N1CC[NH2+]CC1 ZINC000841070100 594847290 /nfs/dbraw/zinc/84/72/90/594847290.db2.gz JYAVZBUFPDCJPL-HNNXBMFYSA-N 2 0 329.366 1.547 20 10 EDCDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)Cc2ccccc2O)C1 ZINC000264627210 443352668 /nfs/dbraw/zinc/35/26/68/443352668.db2.gz TXEBIZBDRLKZNX-QGZVFWFLSA-N 2 0 349.475 1.297 20 10 EDCDRP COc1cccc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)c1O ZINC000367880710 446603202 /nfs/dbraw/zinc/60/32/02/446603202.db2.gz VJXDJHFKJOTAIO-UHFFFAOYSA-N 2 0 333.432 1.139 20 10 EDCDRP CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000759172882 580000186 /nfs/dbraw/zinc/00/01/86/580000186.db2.gz JMLWFPSTSIFGGK-RTBURBONSA-N 2 0 333.476 1.722 20 10 EDCDRP COCC[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775645017 580396091 /nfs/dbraw/zinc/39/60/91/580396091.db2.gz AXMCLNWJMTVUOF-UHFFFAOYSA-N 2 0 332.492 1.202 20 10 EDCDRP COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000792200623 580813276 /nfs/dbraw/zinc/81/32/76/580813276.db2.gz JFPCOGJUGPDMGE-IAGOWNOFSA-N 2 0 331.460 1.870 20 10 EDCDRP CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000793283794 580840757 /nfs/dbraw/zinc/84/07/57/580840757.db2.gz AAHNWNAPZXCAAS-LJQANCHMSA-N 2 0 344.503 1.787 20 10 EDCDRP C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892139973 590819071 /nfs/dbraw/zinc/81/90/71/590819071.db2.gz FNZIEDGAKNWDGZ-HNNXBMFYSA-N 2 0 333.480 1.365 20 10 EDCDRP CCOC(=O)[C@@H]1NCC[C@H]1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902519461 592009752 /nfs/dbraw/zinc/00/97/52/592009752.db2.gz ZNXANWYBOYGACZ-FGTMMUONSA-N 2 0 348.491 1.239 20 10 EDCDRP COc1ccc(N2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903732493 592288182 /nfs/dbraw/zinc/28/81/82/592288182.db2.gz FGRMDUGXVCNOER-RTBURBONSA-N 2 0 331.460 1.586 20 10 EDCDRP CCCN1C[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000817411120 593603162 /nfs/dbraw/zinc/60/31/62/593603162.db2.gz NFOYMSUJSUUGGD-GOSISDBHSA-N 2 0 344.503 1.787 20 10 EDCDRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000817944844 593651082 /nfs/dbraw/zinc/65/10/82/593651082.db2.gz NMOMSGOCKITAAU-NSHDSACASA-N 2 0 328.254 1.711 20 10 EDCDRP CCOC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819200124 593743911 /nfs/dbraw/zinc/74/39/11/593743911.db2.gz KPGACZBAPYWNHC-FQEVSTJZSA-N 2 0 347.503 1.706 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[NH2+][C@@H]3C)cc2F)CC1 ZINC000828883875 594524123 /nfs/dbraw/zinc/52/41/23/594524123.db2.gz UBSABIQIFSSETO-GDBMZVCRSA-N 2 0 348.466 1.582 20 10 EDCDRP CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841006592 594838009 /nfs/dbraw/zinc/83/80/09/594838009.db2.gz WSIOEFXXFSDNDR-QGZVFWFLSA-N 2 0 332.492 1.772 20 10 EDCDRP CN(C)c1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1F ZINC000841100078 594850957 /nfs/dbraw/zinc/85/09/57/594850957.db2.gz SXGQXWCCEYLXTD-HNNXBMFYSA-N 2 0 332.427 1.779 20 10 EDCDRP C[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000841846284 594963878 /nfs/dbraw/zinc/96/38/78/594963878.db2.gz OTTVCTAJNZFITM-KBXCAEBGSA-N 2 0 332.492 1.894 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@]3(O)CCCOC3)cc2)CC1 ZINC000846110350 595145998 /nfs/dbraw/zinc/14/59/98/595145998.db2.gz LRRHBTSRMYXHEZ-LJQANCHMSA-N 2 0 333.476 1.460 20 10 EDCDRP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000843048088 595273631 /nfs/dbraw/zinc/27/36/31/595273631.db2.gz MNFWZCQXBBWWSR-IVZVJUQRSA-N 2 0 330.476 1.553 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C[NH+]3CCCC3)cc2F)CC1 ZINC000874439988 597079820 /nfs/dbraw/zinc/07/98/20/597079820.db2.gz VNLWGWGQDRYHSL-UHFFFAOYSA-N 2 0 348.466 1.680 20 10 EDCDRP CCOc1ccc(O)c(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000877669291 597546340 /nfs/dbraw/zinc/54/63/40/597546340.db2.gz BUOXZYQIZJGXIQ-IAGOWNOFSA-N 2 0 335.492 1.962 20 10 EDCDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(O)c1O ZINC000272768477 443438156 /nfs/dbraw/zinc/43/81/56/443438156.db2.gz MNICDLXBHRRECV-OAHLLOKOSA-N 2 0 349.475 1.894 20 10 EDCDRP CN(C)c1ccc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1F ZINC000271192637 443494628 /nfs/dbraw/zinc/49/46/28/443494628.db2.gz QWGALTBRXZAFSZ-GOSISDBHSA-N 2 0 348.466 1.630 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000276993182 443887853 /nfs/dbraw/zinc/88/78/53/443887853.db2.gz GYASEYITZZJHAT-HOTGVXAUSA-N 2 0 348.491 1.307 20 10 EDCDRP CN(C)c1ccc(C[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000365834175 446361264 /nfs/dbraw/zinc/36/12/64/446361264.db2.gz BEHGSEZVHXVBFI-GOSISDBHSA-N 2 0 330.476 1.667 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3CC(N)=O)cc2)CC1 ZINC000775664597 580396668 /nfs/dbraw/zinc/39/66/68/580396668.db2.gz NGOACFVFHAIKBT-SFHVURJKSA-N 2 0 330.476 1.668 20 10 EDCDRP CN(C)c1ccc([C@H](CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000902519308 592009993 /nfs/dbraw/zinc/00/99/93/592009993.db2.gz YXQQHJVZARLQTP-ZCNNSNEGSA-N 2 0 346.519 1.712 20 10 EDCDRP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cc2)C1 ZINC000817889917 593645512 /nfs/dbraw/zinc/64/55/12/593645512.db2.gz QKLUDJUSOAIKBM-SCTDSRPQSA-N 2 0 344.503 1.995 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+][C@H]3CCC[C@H]3C[NH3+])CC2)cc1 ZINC000817896203 593646306 /nfs/dbraw/zinc/64/63/06/593646306.db2.gz ZHVLFDABLMQBKY-LPHOPBHVSA-N 2 0 332.492 1.534 20 10 EDCDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000817972890 593652497 /nfs/dbraw/zinc/65/24/97/593652497.db2.gz PDIPNVZBKWWVJT-NHYWBVRUSA-N 2 0 347.381 1.888 20 10 EDCDRP CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000824576388 594041330 /nfs/dbraw/zinc/04/13/30/594041330.db2.gz LOGXUEDFHJMSGU-GOSISDBHSA-N 2 0 346.475 1.711 20 10 EDCDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000844911981 595412573 /nfs/dbraw/zinc/41/25/73/595412573.db2.gz QOABTJSLQKKHGC-FMKPAKJESA-N 2 0 334.416 1.982 20 10 EDCDRP [NH3+]Cc1cn(-c2cccc(C[NH2+]Cc3ccc4c(c3)CCO4)c2)nn1 ZINC000873219348 597231138 /nfs/dbraw/zinc/23/11/38/597231138.db2.gz YHECDHMGQZJBTH-UHFFFAOYSA-N 2 0 335.411 1.951 20 10 EDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCNC(=O)C3)cc2F)CC1 ZINC000877012074 597411227 /nfs/dbraw/zinc/41/12/27/597411227.db2.gz MMFRBCGYMCBLCB-INIZCTEOSA-N 2 0 348.466 1.726 20 10 EDCDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000879653902 597675942 /nfs/dbraw/zinc/67/59/42/597675942.db2.gz XKYBJTIESRMWRR-JKSUJKDBSA-N 2 0 349.475 1.516 20 10 EDCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)n1cncn1 ZINC000883290368 597702146 /nfs/dbraw/zinc/70/21/46/597702146.db2.gz SJPNNFWGMSEJFK-INIZCTEOSA-N 2 0 342.491 1.943 20 10 EDCDRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000922387644 711428242 /nfs/dbraw/zinc/42/82/42/711428242.db2.gz MCQAOQDGJLLWOP-LRHNDGHRSA-N 2 0 348.443 1.690 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[NH2+]C3)cc2F)CC1 ZINC000178882532 442513259 /nfs/dbraw/zinc/51/32/59/442513259.db2.gz XRXWENYHOBUICG-INIZCTEOSA-N 2 0 348.466 1.583 20 10 EDCDRP COc1cccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1O ZINC000289388401 444127506 /nfs/dbraw/zinc/12/75/06/444127506.db2.gz DNKXSXJHBLIRQB-UHFFFAOYSA-N 2 0 333.476 1.860 20 10 EDCDRP COc1ccc(N2CC[NH+](CCNc3cc(C)[nH+]c(N)n3)CC2)cc1 ZINC000742928272 579465778 /nfs/dbraw/zinc/46/57/78/579465778.db2.gz JZHRAZBQJZWRFL-UHFFFAOYSA-N 2 0 342.447 1.610 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](n4cncn4)C3)cc2)CC1 ZINC000777223495 580437576 /nfs/dbraw/zinc/43/75/76/580437576.db2.gz ZUEWXFHOKQEVBU-GOSISDBHSA-N 2 0 326.448 1.477 20 10 EDCDRP CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771867767 580297091 /nfs/dbraw/zinc/29/70/91/580297091.db2.gz JBYQVYDFKWRHTO-ZWKOTPCHSA-N 2 0 330.476 1.443 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](OCCO)C3)cc2)CC1 ZINC000775687882 580397278 /nfs/dbraw/zinc/39/72/78/580397278.db2.gz JVGWDOCRGOUQGU-LJQANCHMSA-N 2 0 333.476 1.412 20 10 EDCDRP COc1cc(C)cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1O ZINC000893978143 591154193 /nfs/dbraw/zinc/15/41/93/591154193.db2.gz PPERSGISFMGGAS-UHFFFAOYSA-N 2 0 349.475 1.599 20 10 EDCDRP CN1CCC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000839146513 593264542 /nfs/dbraw/zinc/26/45/42/593264542.db2.gz KLTZEYIWTUFERV-UHFFFAOYSA-N 2 0 325.403 1.985 20 10 EDCDRP COc1cc(O)c(CN(CC[NH+](C)C)CC[NH+](C)C)cc1OC ZINC000809740877 593357277 /nfs/dbraw/zinc/35/72/77/593357277.db2.gz DVOUIJKNFOMAKY-UHFFFAOYSA-N 2 0 325.453 1.335 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCN[C@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817897565 593646716 /nfs/dbraw/zinc/64/67/16/593646716.db2.gz RZTHFCFVLZFTIY-XLIONFOSSA-N 2 0 346.519 1.795 20 10 EDCDRP COc1ccc(N2CCN(CCC[NH2+][C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000817897893 593646956 /nfs/dbraw/zinc/64/69/56/593646956.db2.gz XMRUDEBHGKHHRL-MRXNPFEDSA-N 2 0 332.492 1.405 20 10 EDCDRP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])C2)cc1 ZINC000818615215 593708229 /nfs/dbraw/zinc/70/82/29/593708229.db2.gz NEUYOXITVWULOE-OSGQAZFXSA-N 2 0 333.476 1.863 20 10 EDCDRP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000843047351 595272809 /nfs/dbraw/zinc/27/28/09/595272809.db2.gz RNHWMTVPPPKLQK-UHFFFAOYSA-N 2 0 330.476 1.541 20 10 EDCDRP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000843048289 595273549 /nfs/dbraw/zinc/27/35/49/595273549.db2.gz XMGRQSLSSGZGLU-QGZVFWFLSA-N 2 0 332.492 1.820 20 10 EDCDRP COc1cccc(O)c1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843058538 595276468 /nfs/dbraw/zinc/27/64/68/595276468.db2.gz VEKMXYQQZLLKJG-ZBFHGGJFSA-N 2 0 347.459 1.481 20 10 EDCDRP COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000850351877 595815387 /nfs/dbraw/zinc/81/53/87/595815387.db2.gz WFSZREAIIXWDDS-HXUWFJFHSA-N 2 0 347.503 1.970 20 10 EDCDRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283499 597699787 /nfs/dbraw/zinc/69/97/87/597699787.db2.gz HVOJRJLMAZTUBA-ZTFGCOKTSA-N 2 0 331.460 1.726 20 10 EDCDRP C[N@H+](CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000883399636 597732392 /nfs/dbraw/zinc/73/23/92/597732392.db2.gz SDXIMQIYLSPDAR-UHFFFAOYSA-N 2 0 345.491 1.332 20 10 EDCDRP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000602604455 449699931 /nfs/dbraw/zinc/69/99/31/449699931.db2.gz OLDVBNJNDNWAKJ-HIFRSBDPSA-N 2 0 339.443 1.497 20 10 EDCDRP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648846 580396247 /nfs/dbraw/zinc/39/62/47/580396247.db2.gz GRBJSWKBZKLUHE-DOTOQJQBSA-N 2 0 330.476 1.524 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(OCCO)CC3)cc2)CC1 ZINC000775733434 580398859 /nfs/dbraw/zinc/39/88/59/580398859.db2.gz UAVMCRWDGQKQHV-UHFFFAOYSA-N 2 0 333.476 1.412 20 10 EDCDRP CC(=O)N1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC000780892639 580536709 /nfs/dbraw/zinc/53/67/09/580536709.db2.gz JNEFEPSRLYVKHJ-UHFFFAOYSA-N 2 0 344.503 1.881 20 10 EDCDRP C[N@@H+]1CC[C@@H](CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000899212638 591734106 /nfs/dbraw/zinc/73/41/06/591734106.db2.gz XPBXUHRJQNQSTJ-KRWDZBQOSA-N 2 0 330.476 1.396 20 10 EDCDRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895607076 591820864 /nfs/dbraw/zinc/82/08/64/591820864.db2.gz KSUSQLULIKUEHY-AEFFLSMTSA-N 2 0 344.503 1.975 20 10 EDCDRP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000817888482 593645213 /nfs/dbraw/zinc/64/52/13/593645213.db2.gz GJZWVUZRSJOEPQ-LZLYRXPVSA-N 2 0 330.476 1.605 20 10 EDCDRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817894000 593646377 /nfs/dbraw/zinc/64/63/77/593646377.db2.gz VZYVTONTJCZYSQ-OAHLLOKOSA-N 2 0 339.505 1.529 20 10 EDCDRP COCC[NH2+]CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841047538 594844244 /nfs/dbraw/zinc/84/42/44/594844244.db2.gz DSIVCPDTTHPENU-UHFFFAOYSA-N 2 0 336.436 1.911 20 10 EDCDRP CN(C)c1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000841069822 594847319 /nfs/dbraw/zinc/84/73/19/594847319.db2.gz DSUVSJLVMVXCQR-HNNXBMFYSA-N 2 0 348.388 1.817 20 10 EDCDRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841845802 594963994 /nfs/dbraw/zinc/96/39/94/594963994.db2.gz FBLZSSNRIMNRBN-QZTJIDSGSA-N 2 0 326.444 1.877 20 10 EDCDRP C[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000841866688 594968145 /nfs/dbraw/zinc/96/81/45/594968145.db2.gz NJJNLZXLIJKGFH-OAHLLOKOSA-N 2 0 345.491 1.365 20 10 EDCDRP C[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000841867134 594968157 /nfs/dbraw/zinc/96/81/57/594968157.db2.gz SGMAJXNZMJYWCJ-HNNXBMFYSA-N 2 0 345.491 1.365 20 10 EDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000844222333 595306997 /nfs/dbraw/zinc/30/69/97/595306997.db2.gz BGGBBYAWINFBEZ-SZMVWBNQSA-N 2 0 330.476 1.428 20 10 EDCDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000853247418 595719460 /nfs/dbraw/zinc/71/94/60/595719460.db2.gz OXILOVSIKOMJRM-UHFFFAOYSA-N 2 0 335.448 1.481 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2)CC1 ZINC000863651836 596644558 /nfs/dbraw/zinc/64/45/58/596644558.db2.gz NGSCOQCGGBPUJG-BGYRXZFFSA-N 3 0 328.504 1.870 20 10 EDCDRP COC[C@@]1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCCC[NH2+]1 ZINC000876506896 597224568 /nfs/dbraw/zinc/22/45/68/597224568.db2.gz QGAJONKHROAMDJ-SJLPKXTDSA-N 2 0 334.464 1.027 20 10 EDCDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000879653901 597675801 /nfs/dbraw/zinc/67/58/01/597675801.db2.gz XKYBJTIESRMWRR-HOTGVXAUSA-N 2 0 349.475 1.516 20 10 EDCDRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000756103991 579943557 /nfs/dbraw/zinc/94/35/57/579943557.db2.gz XRUFCIJKCVOCDI-KYJSFNMBSA-N 2 0 330.476 1.428 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCCC3(C[NH3+])CC3)cc2)CC1 ZINC000892217179 590869916 /nfs/dbraw/zinc/86/99/16/590869916.db2.gz AUJFLVKNAGYYOW-UHFFFAOYSA-N 2 0 345.491 1.367 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000892237913 590880781 /nfs/dbraw/zinc/88/07/81/590880781.db2.gz TYPQOSNVQIZDSU-SJLPKXTDSA-N 2 0 347.507 1.749 20 10 EDCDRP CN(C)c1ccc([C@H](CNc2cc[nH+]cc2C(N)=O)[NH+](C)C)cc1 ZINC000897525083 591528884 /nfs/dbraw/zinc/52/88/84/591528884.db2.gz JTZVBIHWIQHAML-KRWDZBQOSA-N 2 0 327.432 1.383 20 10 EDCDRP CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905425918 592531538 /nfs/dbraw/zinc/53/15/38/592531538.db2.gz CXOSARRWSXZNPK-IBGZPJMESA-N 2 0 335.492 1.562 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCN[C@@H]3C[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817897566 593646710 /nfs/dbraw/zinc/64/67/10/593646710.db2.gz RZTHFCFVLZFTIY-YLJYHZDGSA-N 2 0 346.519 1.795 20 10 EDCDRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000841099174 594850938 /nfs/dbraw/zinc/85/09/38/594850938.db2.gz GPZWQHOAJFSREU-KDOFPFPSSA-N 2 0 334.416 1.839 20 10 EDCDRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841891112 594974587 /nfs/dbraw/zinc/97/45/87/594974587.db2.gz IUQBHYGECJJWPK-QZTJIDSGSA-N 2 0 346.519 1.325 20 10 EDCDRP O=S1(=O)CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000854221540 596006334 /nfs/dbraw/zinc/00/63/34/596006334.db2.gz OORXVFGSEVKLQG-SJPCQFCGSA-N 2 0 349.500 1.294 20 10 EDCDRP CN(C)c1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F ZINC000872255724 596856712 /nfs/dbraw/zinc/85/67/12/596856712.db2.gz LKAXJYXAOVWMIH-XKQJLSEDSA-N 2 0 348.422 1.259 20 10 EDCDRP CCOc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(O)c1 ZINC000872255491 596856764 /nfs/dbraw/zinc/85/67/64/596856764.db2.gz YKICYWGOUCEJBA-UNEWFSDZSA-N 2 0 347.415 1.158 20 10 EDCDRP COc1ccc(N2CCC([NH2+][C@@H](C)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000154999514 442370157 /nfs/dbraw/zinc/37/01/57/442370157.db2.gz FXYMOEYYKRYEPP-KRWDZBQOSA-N 2 0 346.519 1.890 20 10 EDCDRP CN(C)c1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1F ZINC000271192638 443495103 /nfs/dbraw/zinc/49/51/03/443495103.db2.gz QWGALTBRXZAFSZ-SFHVURJKSA-N 2 0 348.466 1.630 20 10 EDCDRP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297972328 444372885 /nfs/dbraw/zinc/37/28/85/444372885.db2.gz ZXAOYQMQHZXHSW-JKSUJKDBSA-N 2 0 331.460 1.912 20 10 EDCDRP CCC(=O)N1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775658016 580396549 /nfs/dbraw/zinc/39/65/49/580396549.db2.gz LFAMSYXCVWNKDG-UHFFFAOYSA-N 2 0 344.503 1.883 20 10 EDCDRP C[C@@H]1[NH2+]CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000892939766 591231609 /nfs/dbraw/zinc/23/16/09/591231609.db2.gz OFVBPBLKYXFLRS-HOTGVXAUSA-N 2 0 345.491 1.330 20 10 EDCDRP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903731887 592288138 /nfs/dbraw/zinc/28/81/38/592288138.db2.gz ARPWBCTYQFHKDE-WOJBJXKFSA-N 2 0 345.487 1.724 20 10 EDCDRP COc1cccc(O)c1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000816620835 593535436 /nfs/dbraw/zinc/53/54/36/593535436.db2.gz NPHAJZNVHRZEDW-UHFFFAOYSA-N 2 0 335.448 1.483 20 10 EDCDRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817894986 593646380 /nfs/dbraw/zinc/64/63/80/593646380.db2.gz PWPOTTBRZQIGCE-SFHVURJKSA-N 2 0 335.492 1.739 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@]3(O)CCCOC3)cc2)CC1 ZINC000846110349 595145904 /nfs/dbraw/zinc/14/59/04/595145904.db2.gz LRRHBTSRMYXHEZ-IBGZPJMESA-N 2 0 333.476 1.460 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000843059308 595277112 /nfs/dbraw/zinc/27/71/12/595277112.db2.gz JZVALHHQKUIFFF-YSIASYRMSA-N 3 0 328.504 1.998 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H](C)[NH3+])CC2)cc1 ZINC000844190977 595297868 /nfs/dbraw/zinc/29/78/68/595297868.db2.gz HZAAPLHYGPJPFB-HNNXBMFYSA-N 2 0 334.464 1.061 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2)CC1 ZINC000844902627 595410489 /nfs/dbraw/zinc/41/04/89/595410489.db2.gz UDIUQQATVKFEIS-ICSRJNTNSA-N 3 0 328.504 1.999 20 10 EDCDRP CCc1cccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1O ZINC000848882827 595462509 /nfs/dbraw/zinc/46/25/09/595462509.db2.gz CNCCIRIDKJTQLS-UHFFFAOYSA-N 2 0 333.476 1.844 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=[NH2+])N3CCC3)CC2)cc1 ZINC000849110950 595483750 /nfs/dbraw/zinc/48/37/50/595483750.db2.gz PTUFHBASJFBVCU-UHFFFAOYSA-N 2 0 331.464 1.437 20 10 EDCDRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882985061 597607020 /nfs/dbraw/zinc/60/70/20/597607020.db2.gz FMCJZXXZDXKFIG-LLVKDONJSA-N 2 0 327.375 1.347 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000883177720 597677568 /nfs/dbraw/zinc/67/75/68/597677568.db2.gz GUCJZWIMMXTEDQ-QGZVFWFLSA-N 2 0 345.491 1.332 20 10 EDCDRP COc1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1O ZINC000922389206 711436069 /nfs/dbraw/zinc/43/60/69/711436069.db2.gz SGRKMSKCKCACLR-RGCFKVTRSA-N 2 0 334.460 1.970 20 10 EDCDRP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C(N)=O)C1 ZINC000779200522 580480969 /nfs/dbraw/zinc/48/09/69/580480969.db2.gz IDXPSZVPJVGZAK-MAUKXSAKSA-N 2 0 330.476 1.524 20 10 EDCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1(O)CCOCC1 ZINC000783715131 580604638 /nfs/dbraw/zinc/60/46/38/580604638.db2.gz HLGMUHUUVIDBCZ-UHFFFAOYSA-N 2 0 333.476 1.412 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)CN3CCOCC3)cc2)CC1 ZINC000840962603 591048396 /nfs/dbraw/zinc/04/83/96/591048396.db2.gz ICHZULQUHVDBQU-UHFFFAOYSA-N 2 0 346.519 1.639 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC000892939390 591231384 /nfs/dbraw/zinc/23/13/84/591231384.db2.gz JKMZGLVFZLEEFD-QZTJIDSGSA-N 2 0 345.491 1.508 20 10 EDCDRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000839540810 593337263 /nfs/dbraw/zinc/33/72/63/593337263.db2.gz WGWGQNKXCMLRIR-ZDUSSCGKSA-N 2 0 335.448 1.652 20 10 EDCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1C[NH2+]C1 ZINC000817917073 593648416 /nfs/dbraw/zinc/64/84/16/593648416.db2.gz MWRDZOFVXHDISC-MRXNPFEDSA-N 3 0 328.504 1.916 20 10 EDCDRP Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1O ZINC000843056928 595276050 /nfs/dbraw/zinc/27/60/50/595276050.db2.gz CMHCLHPOWTVGJW-NVXWUHKLSA-N 2 0 331.460 1.781 20 10 EDCDRP COc1cc(O)c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000843125431 595293271 /nfs/dbraw/zinc/29/32/71/595293271.db2.gz WFNMUDFLNGCNCD-CQSZACIVSA-N 2 0 336.432 1.597 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CC(C)(C)[NH3+])CC2)cc1 ZINC000844191267 595297787 /nfs/dbraw/zinc/29/77/87/595297787.db2.gz KCDFICROTWITGI-UHFFFAOYSA-N 2 0 348.491 1.451 20 10 EDCDRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000848717869 595435465 /nfs/dbraw/zinc/43/54/65/595435465.db2.gz WOUNROSKSUBHPY-HZPDHXFCSA-N 2 0 337.489 1.281 20 10 EDCDRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000863547164 596614801 /nfs/dbraw/zinc/61/48/01/596614801.db2.gz PSDVHXLKTCWNSU-CQSZACIVSA-N 2 0 325.428 1.678 20 10 EDCDRP COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000863557920 596618465 /nfs/dbraw/zinc/61/84/65/596618465.db2.gz SWBYWFQYRNCVFE-FUHWJXTLSA-N 2 0 333.476 1.568 20 10 EDCDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000872255564 596856471 /nfs/dbraw/zinc/85/64/71/596856471.db2.gz ZFWJLHLGRAJNKF-GUTXKFCHSA-N 2 0 337.807 1.413 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](CO)Cc3ccoc3)cc2)CC1 ZINC000883270211 597696889 /nfs/dbraw/zinc/69/68/89/597696889.db2.gz IRHNOQRRHOQNJO-IBGZPJMESA-N 2 0 343.471 1.972 20 10 EDCDRP Cc1cc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1C ZINC000922690894 704239095 /nfs/dbraw/zinc/23/90/95/704239095.db2.gz WLNIWYJWYIUAQL-UHFFFAOYSA-N 2 0 327.476 1.813 20 10 EDCDRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000922387653 711428056 /nfs/dbraw/zinc/42/80/56/711428056.db2.gz MCQAOQDGJLLWOP-OYYCAODRSA-N 2 0 348.443 1.690 20 10 EDCDRP COc1ccc(O)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000375018622 250277007 /nfs/dbraw/zinc/27/70/07/250277007.db2.gz JUZMEOCRAWYMDX-QAPCUYQASA-N 2 0 333.476 1.859 20 10 EDCDRP COc1ccc(N2CCC(N(C)C(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000375964614 250283037 /nfs/dbraw/zinc/28/30/37/250283037.db2.gz OGHBQRXKOJZKAH-OAHLLOKOSA-N 2 0 347.459 1.501 20 10 EDCDRP COc1ccc(O)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000179892385 442516469 /nfs/dbraw/zinc/51/64/69/442516469.db2.gz RLRKMDKJHWVCQG-UHFFFAOYSA-N 2 0 335.448 1.291 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)C[NH2+]C)cc2F)CC1 ZINC000236895555 443151988 /nfs/dbraw/zinc/15/19/88/443151988.db2.gz MUIZAIPXHAYUHJ-AWEZNQCLSA-N 2 0 336.455 1.439 20 10 EDCDRP Oc1cc2c(cc1C[NH+]1CCC(CO[C@H]3CC[NH2+]C3)CC1)OCO2 ZINC000530249823 449093511 /nfs/dbraw/zinc/09/35/11/449093511.db2.gz ZASJYNQPGWZKOC-HNNXBMFYSA-N 2 0 334.416 1.711 20 10 EDCDRP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000602604456 449699356 /nfs/dbraw/zinc/69/93/56/449699356.db2.gz OLDVBNJNDNWAKJ-UKRRQHHQSA-N 2 0 339.443 1.497 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)N3CCOCC3)cc2)CC1 ZINC000895607041 591820607 /nfs/dbraw/zinc/82/06/07/591820607.db2.gz KBMHORBBQGEBRA-UHFFFAOYSA-N 2 0 346.519 1.639 20 10 EDCDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902517410 592009371 /nfs/dbraw/zinc/00/93/71/592009371.db2.gz LTSSPCOGLWQQFJ-QZHFEQFPSA-N 2 0 334.508 1.697 20 10 EDCDRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934171 593650093 /nfs/dbraw/zinc/65/00/93/593650093.db2.gz BYNDMLNVEDXEQO-CQSZACIVSA-N 2 0 343.418 1.645 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)cc2)CC1 ZINC000827132310 594645806 /nfs/dbraw/zinc/64/58/06/594645806.db2.gz KUUGOIFRNVLART-HKUYNNGSSA-N 2 0 342.487 1.539 20 10 EDCDRP COc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC000846145356 595156409 /nfs/dbraw/zinc/15/64/09/595156409.db2.gz NMTIPVGPHOCAJL-KGLIPLIRSA-N 2 0 335.448 1.639 20 10 EDCDRP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000848717004 595434938 /nfs/dbraw/zinc/43/49/38/595434938.db2.gz MHJZSFHMEBZBEB-IXDOHACOSA-N 2 0 330.476 1.748 20 10 EDCDRP COc1cc(Br)cc(C[N@H+](C)CCOCC[NH3+])c1O ZINC000863649387 596644832 /nfs/dbraw/zinc/64/48/32/596644832.db2.gz CTWABWTYJVYJPS-UHFFFAOYSA-N 2 0 333.226 1.570 20 10 EDCDRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000876964372 597399440 /nfs/dbraw/zinc/39/94/40/597399440.db2.gz YWAWMQPIOSBXRN-UHFFFAOYSA-N 2 0 347.503 1.848 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2F)CC1 ZINC000269315981 443278867 /nfs/dbraw/zinc/27/88/67/443278867.db2.gz ZEYAXORLKYRESV-HOTGVXAUSA-N 2 0 348.466 1.711 20 10 EDCDRP COc1cc(O)c(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1OC ZINC000290189132 444253066 /nfs/dbraw/zinc/25/30/66/444253066.db2.gz OLPQLEGWKYZRDJ-UHFFFAOYSA-N 2 0 339.480 1.725 20 10 EDCDRP C[NH+](C)CCN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592955542 449075773 /nfs/dbraw/zinc/07/57/73/449075773.db2.gz AIYROBLNWDJCFU-OAHLLOKOSA-N 2 0 341.459 1.928 20 10 EDCDRP CC(=O)N1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000771821969 580295680 /nfs/dbraw/zinc/29/56/80/580295680.db2.gz CJOCAJRTNQSUCD-UHFFFAOYSA-N 2 0 330.476 1.539 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)cc2)CC1 ZINC000787423448 580695113 /nfs/dbraw/zinc/69/51/13/580695113.db2.gz NEOKVHKLRSNUFT-YTQUADARSA-N 2 0 342.487 1.524 20 10 EDCDRP Cc1c(C[C@H](C[NH3+])CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C ZINC000903918230 592390984 /nfs/dbraw/zinc/39/09/84/592390984.db2.gz VLLTXCLWLIHDHM-DNVCBOLYSA-N 2 0 344.507 1.202 20 10 EDCDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C/C=C/c1ccc(N(C)C)cc1)C2 ZINC000903977380 592399294 /nfs/dbraw/zinc/39/92/94/592399294.db2.gz QARQEVJFYVBLSY-JNEWFMBGSA-N 2 0 343.471 1.978 20 10 EDCDRP CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905426279 592531693 /nfs/dbraw/zinc/53/16/93/592531693.db2.gz HFGCDCRSZUNAJM-IBGZPJMESA-N 2 0 335.492 1.704 20 10 EDCDRP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817858917 593641866 /nfs/dbraw/zinc/64/18/66/593641866.db2.gz FKMAGAQRHHJHLT-LJQANCHMSA-N 2 0 340.471 1.944 20 10 EDCDRP CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000817941885 593650848 /nfs/dbraw/zinc/65/08/48/593650848.db2.gz LMVIFDQTNGSQNR-IXDOHACOSA-N 2 0 339.505 1.698 20 10 EDCDRP O[C@@H]1CC[N@@H+](C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000827700852 594260182 /nfs/dbraw/zinc/26/01/82/594260182.db2.gz YESDBNPVUNTVDH-HXUWFJFHSA-N 2 0 345.487 1.554 20 10 EDCDRP COc1cccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1O ZINC000840954590 594832300 /nfs/dbraw/zinc/83/23/00/594832300.db2.gz HDASOBQTMVUSMU-UHFFFAOYSA-N 2 0 349.475 1.287 20 10 EDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000844220906 595306092 /nfs/dbraw/zinc/30/60/92/595306092.db2.gz OKKIBSHSEGQWAD-UHFFFAOYSA-N 2 0 348.491 1.199 20 10 EDCDRP C[NH+](C)CCN1CCN(Cc2c(O)ccc3ccncc32)CC1=O ZINC000844713742 595381380 /nfs/dbraw/zinc/38/13/80/595381380.db2.gz FSKXUAOHFJERDF-UHFFFAOYSA-N 2 0 328.416 1.146 20 10 EDCDRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000854231270 596010008 /nfs/dbraw/zinc/01/00/08/596010008.db2.gz IISUVUZDQZRZRJ-MRXNPFEDSA-N 2 0 331.460 1.960 20 10 EDCDRP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852746112 596237541 /nfs/dbraw/zinc/23/75/41/596237541.db2.gz IMJFIPFBDRYHLH-SFHVURJKSA-N 2 0 331.460 1.476 20 10 EDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCNC(=O)CC3)cc2F)CC1 ZINC000873048126 597171631 /nfs/dbraw/zinc/17/16/31/597171631.db2.gz PTTWXVMSKPVPEE-MRXNPFEDSA-N 2 0 348.466 1.726 20 10 EDCDRP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771867763 580297109 /nfs/dbraw/zinc/29/71/09/580297109.db2.gz JBYQVYDFKWRHTO-QZTJIDSGSA-N 2 0 330.476 1.443 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@H+](CC(N)=O)C3CCCC3)cc2)CC1 ZINC000775649296 580396235 /nfs/dbraw/zinc/39/62/35/580396235.db2.gz NREDLJFFWGLINL-UHFFFAOYSA-N 2 0 330.476 1.668 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCC(N)=O)C3)cc2)CC1 ZINC000775666113 580396715 /nfs/dbraw/zinc/39/67/15/580396715.db2.gz SPLOCLVVVJJXHE-QGZVFWFLSA-N 2 0 344.503 1.916 20 10 EDCDRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776246159 580412659 /nfs/dbraw/zinc/41/26/59/580412659.db2.gz PDYJBPBZAHDPAK-INIZCTEOSA-N 2 0 349.523 1.948 20 10 EDCDRP CCn1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1=O ZINC000788523866 580723410 /nfs/dbraw/zinc/72/34/10/580723410.db2.gz IIBHDGOJORRILX-UHFFFAOYSA-N 2 0 340.471 1.910 20 10 EDCDRP COC(=O)N[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000895848387 591287386 /nfs/dbraw/zinc/28/73/86/591287386.db2.gz MXFVGFQDLMZDFP-INIZCTEOSA-N 2 0 332.448 1.369 20 10 EDCDRP COc1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)c(O)c1OC ZINC000894457809 591316591 /nfs/dbraw/zinc/31/65/91/591316591.db2.gz IEYDEHHLXTWKSC-UHFFFAOYSA-N 2 0 325.453 1.335 20 10 EDCDRP COc1cc(Cl)cc(CN(CC[NH+](C)C)CC[NH+](C)C)c1O ZINC000809741820 593357307 /nfs/dbraw/zinc/35/73/07/593357307.db2.gz XQPWIBSTHWJQEP-UHFFFAOYSA-N 2 0 329.872 1.979 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817896105 593646282 /nfs/dbraw/zinc/64/62/82/593646282.db2.gz YMGCOGDEXRFSHW-PXNSSMCTSA-N 2 0 346.519 1.795 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+][C@H]3CC[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817896107 593646326 /nfs/dbraw/zinc/64/63/26/593646326.db2.gz YMGCOGDEXRFSHW-XLIONFOSSA-N 2 0 346.519 1.795 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)CC[NH2+]C(C)(C)C)cc2)CC1 ZINC000829296225 594594052 /nfs/dbraw/zinc/59/40/52/594594052.db2.gz GFMMWESQKHBNIW-UHFFFAOYSA-N 2 0 332.492 1.833 20 10 EDCDRP C[NH+]1CCN(c2ccc(CN[C@@H](CC[NH3+])C(F)(F)F)cc2)CC1 ZINC000841089997 594849742 /nfs/dbraw/zinc/84/97/42/594849742.db2.gz CQIOURUONZSABN-HNNXBMFYSA-N 2 0 330.398 1.808 20 10 EDCDRP COc1ccc(N2CCC(NC(=O)N3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000841778728 594950481 /nfs/dbraw/zinc/95/04/81/594950481.db2.gz FDONUKFVNJNLIZ-AWEZNQCLSA-N 2 0 332.448 1.667 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000841846706 594964181 /nfs/dbraw/zinc/96/41/81/594964181.db2.gz TUTDUKKOTNRVJC-IEBWSBKVSA-N 2 0 340.471 1.829 20 10 EDCDRP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000843048091 595273593 /nfs/dbraw/zinc/27/35/93/595273593.db2.gz MNFWZCQXBBWWSR-RCFWFJCLSA-N 2 0 330.476 1.553 20 10 EDCDRP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000844222930 595307637 /nfs/dbraw/zinc/30/76/37/595307637.db2.gz NNPAFYVMFLYPID-QXAKKESOSA-N 2 0 344.503 1.770 20 10 EDCDRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000854231269 596009751 /nfs/dbraw/zinc/00/97/51/596009751.db2.gz IISUVUZDQZRZRJ-INIZCTEOSA-N 2 0 331.460 1.960 20 10 EDCDRP C[C@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O)c1ccccc1O ZINC000378632909 447448142 /nfs/dbraw/zinc/44/81/42/447448142.db2.gz NHLGQAUEXICLPT-DOTOQJQBSA-N 2 0 347.459 1.366 20 10 EDCDRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000265880673 442956203 /nfs/dbraw/zinc/95/62/03/442956203.db2.gz OGDPPBOQMZINER-UHFFFAOYSA-N 2 0 329.238 1.701 20 10 EDCDRP CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000269292923 443270384 /nfs/dbraw/zinc/27/03/84/443270384.db2.gz MAFZISRAMIYFNF-KRWDZBQOSA-N 2 0 334.464 1.061 20 10 EDCDRP COc1cc(O)c(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1OC ZINC000289409281 444133483 /nfs/dbraw/zinc/13/34/83/444133483.db2.gz HNXICUAVGIREQB-UHFFFAOYSA-N 2 0 337.464 1.479 20 10 EDCDRP COc1cccc(O)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000769163069 580230195 /nfs/dbraw/zinc/23/01/95/580230195.db2.gz ZRDOWRPDDUVEIF-UHFFFAOYSA-N 2 0 335.448 1.291 20 10 EDCDRP Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c(=O)n1C ZINC000785521557 580646495 /nfs/dbraw/zinc/64/64/95/580646495.db2.gz LFLXHJAWSYTYRW-UHFFFAOYSA-N 2 0 340.471 1.735 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](CO)[C@@H]3CCOC3)cc2)CC1 ZINC000795580627 580929903 /nfs/dbraw/zinc/92/99/03/580929903.db2.gz DNLLNBKKRSKMMH-MSOLQXFVSA-N 2 0 333.476 1.173 20 10 EDCDRP COc1ccc(N2CCC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903736025 592298922 /nfs/dbraw/zinc/29/89/22/592298922.db2.gz FZKLYWWKLFKFTP-PMACEKPBSA-N 2 0 345.487 1.976 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2)CC1 ZINC000905428472 592532002 /nfs/dbraw/zinc/53/20/02/592532002.db2.gz UMUFHFJRBHRVTC-LJQANCHMSA-N 2 0 326.444 1.657 20 10 EDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]CCS(C)(=O)=O)cc2F)CC1 ZINC000819031903 593734708 /nfs/dbraw/zinc/73/47/08/593734708.db2.gz BSLIRTYKAGMDDE-UHFFFAOYSA-N 2 0 343.468 1.102 20 10 EDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc2F)CC1 ZINC000819033816 593734834 /nfs/dbraw/zinc/73/48/34/593734834.db2.gz SNGJOFLQODURLE-OAHLLOKOSA-N 2 0 349.372 1.980 20 10 EDCDRP Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819376732 593752392 /nfs/dbraw/zinc/75/23/92/593752392.db2.gz IKIUIBHWQWWJKB-PXNSSMCTSA-N 2 0 348.535 1.190 20 10 EDCDRP COc1cc(O)c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000827700669 594260215 /nfs/dbraw/zinc/26/02/15/594260215.db2.gz WQIISHYXAGHJSS-HNNXBMFYSA-N 2 0 336.432 1.440 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000841846503 594963830 /nfs/dbraw/zinc/96/38/30/594963830.db2.gz PCVPSWQXCHNAFC-QZTJIDSGSA-N 2 0 326.444 1.959 20 10 EDCDRP C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000841846291 594963868 /nfs/dbraw/zinc/96/38/68/594963868.db2.gz OTTVCTAJNZFITM-RDTXWAMCSA-N 2 0 332.492 1.894 20 10 EDCDRP Cc1ccc(O)c(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863642048 596640555 /nfs/dbraw/zinc/64/05/55/596640555.db2.gz INGDRQAYORUSLH-WBVHZDCISA-N 2 0 331.416 1.458 20 10 EDCDRP COc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(O)c1OC ZINC000892003139 590738023 /nfs/dbraw/zinc/73/80/23/590738023.db2.gz DHGRKAIEWYMFQM-UHFFFAOYSA-N 2 0 338.448 1.952 20 10 EDCDRP CN(C)c1ccc([C@H](CNC(=O)N(C)CC2C[NH+](C)C2)[NH+](C)C)cc1 ZINC000899098743 591688274 /nfs/dbraw/zinc/68/82/74/591688274.db2.gz RHHSWRJGARDOJB-SFHVURJKSA-N 2 0 347.507 1.558 20 10 EDCDRP C[C@@H]1[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000900864153 592150655 /nfs/dbraw/zinc/15/06/55/592150655.db2.gz VVHAVOFQMHRCGF-FHLIZLRMSA-N 2 0 332.492 1.812 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc3c(n2)C[NH2+]CC3)cc1 ZINC000911667962 592974451 /nfs/dbraw/zinc/97/44/51/592974451.db2.gz VEGKZTOGKHXPOH-MRXNPFEDSA-N 2 0 339.443 1.223 20 10 EDCDRP Cc1nnc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000810159160 593386641 /nfs/dbraw/zinc/38/66/41/593386641.db2.gz GUOKEFMFHVBGII-UHFFFAOYSA-N 2 0 331.489 1.931 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCN[C@H](C)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000817897430 593646852 /nfs/dbraw/zinc/64/68/52/593646852.db2.gz PHUZHSZASKVYRU-XLIONFOSSA-N 2 0 346.519 1.937 20 10 EDCDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000843046890 595273167 /nfs/dbraw/zinc/27/31/67/595273167.db2.gz HTIUWDYRSYEEOV-HNNXBMFYSA-N 2 0 347.459 1.435 20 10 EDCDRP COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000863557921 596618433 /nfs/dbraw/zinc/61/84/33/596618433.db2.gz SWBYWFQYRNCVFE-SJLPKXTDSA-N 2 0 333.476 1.568 20 10 EDCDRP CCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000236970342 249302010 /nfs/dbraw/zinc/30/20/10/249302010.db2.gz QUCXRGJRHQPXDH-MRXNPFEDSA-N 2 0 336.455 1.711 20 10 EDCDRP COc1ccc(N2CCC([NH2+][C@H](C)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000154999627 442369727 /nfs/dbraw/zinc/36/97/27/442369727.db2.gz FXYMOEYYKRYEPP-QGZVFWFLSA-N 2 0 346.519 1.890 20 10 EDCDRP CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000368811698 447124671 /nfs/dbraw/zinc/12/46/71/447124671.db2.gz YZRDKTDUJQETDU-AEFFLSMTSA-N 2 0 333.476 1.792 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)COCCO4)cc2)CC1 ZINC000895695979 591256787 /nfs/dbraw/zinc/25/67/87/591256787.db2.gz KRRSPLPHJPDXCI-UHFFFAOYSA-N 2 0 345.487 1.820 20 10 EDCDRP COc1cc(O)c(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1OC ZINC000904391480 592242818 /nfs/dbraw/zinc/24/28/18/592242818.db2.gz HACGBSBTHJHBPA-AWEZNQCLSA-N 2 0 336.432 1.739 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000832285696 594740440 /nfs/dbraw/zinc/74/04/40/594740440.db2.gz SJTBYCMSLDYAJX-OALUTQOASA-N 2 0 338.455 1.756 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)NCCC[NH3+])cc2F)CC1 ZINC000841793018 594953619 /nfs/dbraw/zinc/95/36/19/594953619.db2.gz NCDUISHOQAEYRL-UHFFFAOYSA-N 2 0 337.443 1.116 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000841846694 594963694 /nfs/dbraw/zinc/96/36/94/594963694.db2.gz SKSHLRJAGSVMCW-BGTYHANMSA-N 2 0 330.476 1.789 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(C(C)(C)[NH3+])no2)cc1 ZINC000852791759 595544586 /nfs/dbraw/zinc/54/45/86/595544586.db2.gz LUIIYEDJHITKOI-ZDUSSCGKSA-N 2 0 331.420 1.364 20 10 EDCDRP COc1cc(Br)cc(C[NH2+]CC2([NH3+])CCOCC2)c1O ZINC000863482220 596593961 /nfs/dbraw/zinc/59/39/61/596593961.db2.gz WIKWLCMZSUGACU-UHFFFAOYSA-N 2 0 345.237 1.761 20 10 EDCDRP COc1cccc([C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876506764 597224263 /nfs/dbraw/zinc/22/42/63/597224263.db2.gz OHRQOJPIJQEVEM-MSOLQXFVSA-N 2 0 342.443 1.577 20 10 EDCDRP COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000877724271 597551330 /nfs/dbraw/zinc/55/13/30/597551330.db2.gz NZCJLAPIFNYUBT-UWVAXJGDSA-N 2 0 343.471 1.870 20 10 EDCDRP CC[NH+](CC)CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883032844 597626054 /nfs/dbraw/zinc/62/60/54/597626054.db2.gz VRDWDYZLPGEROY-UHFFFAOYSA-N 2 0 347.507 1.579 20 10 EDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000878865686 597739015 /nfs/dbraw/zinc/73/90/15/597739015.db2.gz AJDOVEATCSJNHC-UHFFFAOYSA-N 2 0 344.503 1.787 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)[NH2+]C3CC3)cc2F)CC1 ZINC000295004440 444163750 /nfs/dbraw/zinc/16/37/50/444163750.db2.gz IIWYNKZSUUUHSC-AWEZNQCLSA-N 2 0 348.466 1.724 20 10 EDCDRP COc1ccc(O)c(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)c1 ZINC000364110892 445896346 /nfs/dbraw/zinc/89/63/46/445896346.db2.gz SRWQLGYICADFRW-UHFFFAOYSA-N 2 0 333.432 1.139 20 10 EDCDRP COCC[C@@]1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCOC1 ZINC000775034033 580381348 /nfs/dbraw/zinc/38/13/48/580381348.db2.gz PIGKXLBEUMCTPK-LJQANCHMSA-N 2 0 333.476 1.724 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](CO)[C@@H]3CCOC3)cc2)CC1 ZINC000795580639 580929856 /nfs/dbraw/zinc/92/98/56/580929856.db2.gz DNLLNBKKRSKMMH-QZTJIDSGSA-N 2 0 333.476 1.173 20 10 EDCDRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000892098135 590797899 /nfs/dbraw/zinc/79/78/99/590797899.db2.gz XSNJUIGLEMZISL-WBVHZDCISA-N 2 0 345.491 1.378 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)C[NH+](C)C)[NH+](C)C)cc1 ZINC000899097794 591678186 /nfs/dbraw/zinc/67/81/86/591678186.db2.gz GVTXCDBOIQTUQE-QGZVFWFLSA-N 2 0 349.523 1.995 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC(=O)NCC[NH+]2CCC2)[NH+](C)C)cc1 ZINC000899100951 591689944 /nfs/dbraw/zinc/68/99/44/591689944.db2.gz DMYFPEUSSVMAJQ-QGZVFWFLSA-N 2 0 333.480 1.360 20 10 EDCDRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895607079 591821043 /nfs/dbraw/zinc/82/10/43/591821043.db2.gz KSUSQLULIKUEHY-SJLPKXTDSA-N 2 0 344.503 1.975 20 10 EDCDRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Br)cc1O ZINC000817945126 593650928 /nfs/dbraw/zinc/65/09/28/593650928.db2.gz URGAWAIVYNFQSG-NSHDSACASA-N 2 0 328.254 1.711 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)[C@H]3CCCOC3)cc2)CC1 ZINC000840962106 594833417 /nfs/dbraw/zinc/83/34/17/594833417.db2.gz FJODTEGTRIQLEG-PKOBYXMFSA-N 2 0 333.476 1.316 20 10 EDCDRP COc1ccc(N2CCC(NC(=O)N3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000841778729 594950702 /nfs/dbraw/zinc/95/07/02/594950702.db2.gz FDONUKFVNJNLIZ-CQSZACIVSA-N 2 0 332.448 1.667 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCN(C(C)(C)C)C3=O)cc2)CC1 ZINC000842720174 595180059 /nfs/dbraw/zinc/18/00/59/595180059.db2.gz CYZUBVPVKGRAIG-SFHVURJKSA-N 2 0 344.503 1.927 20 10 EDCDRP CCOc1cccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255423 596856613 /nfs/dbraw/zinc/85/66/13/596856613.db2.gz WQSPETCBHMDVCG-FMKPAKJESA-N 2 0 347.415 1.158 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C3=CC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000876784130 597339354 /nfs/dbraw/zinc/33/93/54/597339354.db2.gz XZORIIBYVQZTPX-MRXNPFEDSA-N 2 0 346.450 1.631 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C(N)=O)cs3)cc2)CC1 ZINC000883283908 597699645 /nfs/dbraw/zinc/69/96/45/597699645.db2.gz XZZBXEMZNHZKIB-UHFFFAOYSA-N 2 0 344.484 1.889 20 10 EDCDRP C[NH+](C)C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C[NH+](C)C ZINC000881020673 598054474 /nfs/dbraw/zinc/05/44/74/598054474.db2.gz ODXPQILPYCIGIT-VXGBXAGGSA-N 2 0 339.411 1.048 20 10 EDCDRP CN(C)c1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000092615518 441813710 /nfs/dbraw/zinc/81/37/10/441813710.db2.gz CVWBPOWHJFBVGC-UHFFFAOYSA-N 2 0 332.492 1.642 20 10 EDCDRP CCOC1CC(O)(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000767737048 580198262 /nfs/dbraw/zinc/19/82/62/580198262.db2.gz GIULMJIEFUFSSQ-UHFFFAOYSA-N 2 0 333.476 1.458 20 10 EDCDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000775654101 580396363 /nfs/dbraw/zinc/39/63/63/580396363.db2.gz FPQOJJUBLKXLRU-UHFFFAOYSA-N 2 0 328.504 1.966 20 10 EDCDRP CC[NH+](CC)CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891415676 591071450 /nfs/dbraw/zinc/07/14/50/591071450.db2.gz ILSXOSKUSVTAJQ-GOSISDBHSA-N 2 0 349.523 1.996 20 10 EDCDRP C[C@@H]1[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000896618680 591554430 /nfs/dbraw/zinc/55/44/30/591554430.db2.gz RBVIGKTVRSWHKJ-ZTFGCOKTSA-N 2 0 347.507 1.747 20 10 EDCDRP COc1ccc(N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1F ZINC000903740114 592301973 /nfs/dbraw/zinc/30/19/73/592301973.db2.gz DQHGKZJZLGKTGW-APWZRJJASA-N 2 0 349.450 1.725 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC[C@@H](O)C[N@H+](C)C2CC2)[NH+](C)C)cc1 ZINC000905703275 592616303 /nfs/dbraw/zinc/61/63/03/592616303.db2.gz HJORPCAHKAXDDM-RTBURBONSA-N 2 0 334.508 1.400 20 10 EDCDRP CCOC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819200125 593743942 /nfs/dbraw/zinc/74/39/42/593743942.db2.gz KPGACZBAPYWNHC-HXUWFJFHSA-N 2 0 347.503 1.706 20 10 EDCDRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000827843659 594289528 /nfs/dbraw/zinc/28/95/28/594289528.db2.gz GCOTXKUWEOYUCC-MSOLQXFVSA-N 2 0 331.460 1.870 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4NC(=O)CC[C@@H]4C3)cc2)CC1 ZINC000827132311 594645626 /nfs/dbraw/zinc/64/56/26/594645626.db2.gz KUUGOIFRNVLART-IEBWSBKVSA-N 2 0 342.487 1.539 20 10 EDCDRP Oc1cccc(Cl)c1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071492 594847725 /nfs/dbraw/zinc/84/77/25/594847725.db2.gz YPWUMJQOCKWTMP-CYBMUJFWSA-N 2 0 337.773 1.971 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000841845867 594964017 /nfs/dbraw/zinc/96/40/17/594964017.db2.gz HDKFNTDMNGKZCJ-ZDUSSCGKSA-N 2 0 333.461 1.140 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000841845982 594964057 /nfs/dbraw/zinc/96/40/57/594964057.db2.gz INQYGVBENMIXQC-RTBURBONSA-N 2 0 338.455 1.756 20 10 EDCDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858131141 595708850 /nfs/dbraw/zinc/70/88/50/595708850.db2.gz LKOXTGSFPROTQO-CYBMUJFWSA-N 2 0 326.435 1.756 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(C(N)=O)c3)cc2)CC1 ZINC000883283457 597699871 /nfs/dbraw/zinc/69/98/71/597699871.db2.gz GMMMWZKHNSAABR-UHFFFAOYSA-N 2 0 338.455 1.827 20 10 EDCDRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1ccccc1O ZINC000363535342 250185659 /nfs/dbraw/zinc/18/56/59/250185659.db2.gz RUUOWAGRYULNEL-UHFFFAOYSA-N 2 0 343.475 1.866 20 10 EDCDRP C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CCO2 ZINC000793230041 580838945 /nfs/dbraw/zinc/83/89/45/580838945.db2.gz CNTVMFSDNOXENR-YLJYHZDGSA-N 2 0 345.487 1.818 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+][C@@H]3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC000817896205 593646505 /nfs/dbraw/zinc/64/65/05/593646505.db2.gz ZHVLFDABLMQBKY-VQIMIIECSA-N 2 0 332.492 1.534 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)CCCC[NH3+])cc2F)CC1 ZINC000828884113 594523963 /nfs/dbraw/zinc/52/39/63/594523963.db2.gz XZUOXNYPJCUACS-UHFFFAOYSA-N 2 0 336.455 1.713 20 10 EDCDRP COC(=O)N(C)CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000827341100 594662788 /nfs/dbraw/zinc/66/27/88/594662788.db2.gz YIWHBLNHHGWXPJ-UHFFFAOYSA-N 2 0 334.464 1.568 20 10 EDCDRP Oc1cc(OCc2ccccc2)ccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841044200 594843795 /nfs/dbraw/zinc/84/37/95/594843795.db2.gz BKVKWSWDSPNTLB-UHFFFAOYSA-N 2 0 341.455 1.966 20 10 EDCDRP Oc1cccc(Cl)c1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071493 594847439 /nfs/dbraw/zinc/84/74/39/594847439.db2.gz YPWUMJQOCKWTMP-ZDUSSCGKSA-N 2 0 337.773 1.971 20 10 EDCDRP CN(CC[NH3+])C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000841867046 594968084 /nfs/dbraw/zinc/96/80/84/594968084.db2.gz PLSOEKYGCUVVDE-UHFFFAOYSA-N 2 0 345.491 1.319 20 10 EDCDRP Fc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1N1CCOCC1 ZINC000843121149 595291693 /nfs/dbraw/zinc/29/16/93/595291693.db2.gz FYTZSCPCNOFBCM-QGZVFWFLSA-N 2 0 348.466 1.142 20 10 EDCDRP C[C@@H]1C[C@@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844223976 595307682 /nfs/dbraw/zinc/30/76/82/595307682.db2.gz DDPDSJSPOKABNK-BFYDXBDKSA-N 2 0 332.492 1.674 20 10 EDCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](O)C(F)(F)F ZINC000865712524 596657801 /nfs/dbraw/zinc/65/78/01/596657801.db2.gz ZFXUEUKWPBRXQA-WFASDCNBSA-N 2 0 331.382 1.840 20 10 EDCDRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877061702 597424346 /nfs/dbraw/zinc/42/43/46/597424346.db2.gz QHLADMFUDFEADN-UHFFFAOYSA-N 2 0 333.476 1.194 20 10 EDCDRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000922387647 711428134 /nfs/dbraw/zinc/42/81/34/711428134.db2.gz MCQAOQDGJLLWOP-MDUILUSMSA-N 2 0 348.443 1.690 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C3CC[NH2+]CC3)cc2F)CC1 ZINC000236998582 249301937 /nfs/dbraw/zinc/30/19/37/249301937.db2.gz KFVJYXVWVDPCSZ-UHFFFAOYSA-N 2 0 348.466 1.583 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000268867137 443131232 /nfs/dbraw/zinc/13/12/32/443131232.db2.gz WTTQBLFRAAHSRI-ROUUACIJSA-N 2 0 346.519 1.890 20 10 EDCDRP C[C@@]1(C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)CCCC[NH2+]1 ZINC000368475065 446884963 /nfs/dbraw/zinc/88/49/63/446884963.db2.gz UOLZMHLRGNUZGU-SFHVURJKSA-N 2 0 334.439 1.384 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000237269754 536696802 /nfs/dbraw/zinc/69/68/02/536696802.db2.gz RQCLDGMRSCUEMP-SFHVURJKSA-N 2 0 346.475 1.076 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@]4(CCOC4)C3)cc2)CC1 ZINC000769555876 580239968 /nfs/dbraw/zinc/23/99/68/580239968.db2.gz JXUVLHRGFJZKLS-IBGZPJMESA-N 2 0 331.460 1.430 20 10 EDCDRP COCC[N@H+](CCC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775699331 580397641 /nfs/dbraw/zinc/39/76/41/580397641.db2.gz DBIXJOKSXRTPQZ-UHFFFAOYSA-N 2 0 349.475 1.450 20 10 EDCDRP CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000793283793 580840718 /nfs/dbraw/zinc/84/07/18/580840718.db2.gz AAHNWNAPZXCAAS-IBGZPJMESA-N 2 0 344.503 1.787 20 10 EDCDRP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892022129 590752425 /nfs/dbraw/zinc/75/24/25/590752425.db2.gz PGQDALMQYDQJEG-KRWDZBQOSA-N 2 0 333.480 1.221 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000892088111 590791848 /nfs/dbraw/zinc/79/18/48/590791848.db2.gz HCVTZIUQVWDPJI-IAGOWNOFSA-N 2 0 345.491 1.508 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[NH2+]C(C)(C)C3)cc2)CC1 ZINC000892939170 591230938 /nfs/dbraw/zinc/23/09/38/591230938.db2.gz IRNYETVKMQXMNX-UHFFFAOYSA-N 2 0 345.491 1.332 20 10 EDCDRP COc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1O ZINC000903980042 592400584 /nfs/dbraw/zinc/40/05/84/592400584.db2.gz DUXBBNMSMNKETL-CALCHBBNSA-N 2 0 331.460 1.801 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C[C@](C)(O)C3CC3)cc2)CC1 ZINC000905427245 592531201 /nfs/dbraw/zinc/53/12/01/592531201.db2.gz MGLLZHYYGXQEAZ-PMACEKPBSA-N 2 0 347.503 1.440 20 10 EDCDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000829296667 594594475 /nfs/dbraw/zinc/59/44/75/594594475.db2.gz LSFZUAJWPIHHOK-LJQANCHMSA-N 2 0 344.503 1.927 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc3c(s2)CC[NH2+]C3)cc1 ZINC000852791432 595544561 /nfs/dbraw/zinc/54/45/61/595544561.db2.gz HGMRUGPNBHMUKG-OAHLLOKOSA-N 2 0 344.484 1.890 20 10 EDCDRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000876779071 597338160 /nfs/dbraw/zinc/33/81/60/597338160.db2.gz VMUCIMRQAGZLNQ-UETGSQEOSA-N 2 0 329.444 1.898 20 10 EDCDRP C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367159386 250193358 /nfs/dbraw/zinc/19/33/58/250193358.db2.gz NJWVFUFVZAUYTA-HOCLYGCPSA-N 2 0 347.459 1.579 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])C(C)C)cc2F)CC1 ZINC000236895724 443151905 /nfs/dbraw/zinc/15/19/05/443151905.db2.gz VNXMZUMWDWUEKE-KRWDZBQOSA-N 2 0 336.455 1.567 20 10 EDCDRP COc1cc(O)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000282305892 444143125 /nfs/dbraw/zinc/14/31/25/444143125.db2.gz MSIOCHWRJAAHGQ-UHFFFAOYSA-N 2 0 337.464 1.525 20 10 EDCDRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000368125265 446654781 /nfs/dbraw/zinc/65/47/81/446654781.db2.gz LRXCMVRDDMEGDQ-MAUKXSAKSA-N 2 0 348.466 1.486 20 10 EDCDRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3C[C@@H]([NH3+])Cc4ccccc43)c21 ZINC000592566636 448903608 /nfs/dbraw/zinc/90/36/08/448903608.db2.gz POGBRJAEXKXECJ-KBPBESRZSA-N 2 0 325.416 1.249 20 10 EDCDRP COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775727432 580398643 /nfs/dbraw/zinc/39/86/43/580398643.db2.gz RIMTWVAQBVOFMA-LJQANCHMSA-N 2 0 331.460 1.823 20 10 EDCDRP C[C@H](O)C[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000793588277 580848346 /nfs/dbraw/zinc/84/83/46/580848346.db2.gz IHPWXPGJTOZDKG-MSOLQXFVSA-N 2 0 346.519 1.325 20 10 EDCDRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000892939823 591231474 /nfs/dbraw/zinc/23/14/74/591231474.db2.gz PKQKXEGZTBHBCM-QGZVFWFLSA-N 2 0 345.491 1.332 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000892939922 591231579 /nfs/dbraw/zinc/23/15/79/591231579.db2.gz RJLCFGSDXGYQQN-UHFFFAOYSA-N 2 0 343.475 1.071 20 10 EDCDRP CO[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000895606926 591821082 /nfs/dbraw/zinc/82/10/82/591821082.db2.gz IHYOBGHFNLRPNT-HXUWFJFHSA-N 2 0 347.503 1.970 20 10 EDCDRP CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c1O ZINC000903978226 592399758 /nfs/dbraw/zinc/39/97/58/592399758.db2.gz BAJCIRSRUQBHNY-IYOUNJFTSA-N 2 0 334.416 1.503 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3c(n2)C[NH2+]CC3)cc1 ZINC000911667961 592974615 /nfs/dbraw/zinc/97/46/15/592974615.db2.gz VEGKZTOGKHXPOH-INIZCTEOSA-N 2 0 339.443 1.223 20 10 EDCDRP CN(C)c1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000841069947 594847328 /nfs/dbraw/zinc/84/73/28/594847328.db2.gz GPCMAMZRCWCXEK-OAHLLOKOSA-N 2 0 330.398 1.678 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000843059301 595276008 /nfs/dbraw/zinc/27/60/08/595276008.db2.gz JZVALHHQKUIFFF-DFQSSKMNSA-N 3 0 328.504 1.998 20 10 EDCDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000843122361 595292516 /nfs/dbraw/zinc/29/25/16/595292516.db2.gz RAWIRXUAVJFFHG-GOSISDBHSA-N 2 0 332.492 1.881 20 10 EDCDRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1C[NH+](C)C ZINC000870022665 596713300 /nfs/dbraw/zinc/71/33/00/596713300.db2.gz WPRLAJDCINEHNG-CGMDNHBQSA-N 2 0 347.459 1.309 20 10 EDCDRP CN(C)c1ccc(C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C2CC2)cc1 ZINC000877976824 597567633 /nfs/dbraw/zinc/56/76/33/597567633.db2.gz KSLYIXCAKUPRMQ-UHFFFAOYSA-N 2 0 344.503 1.927 20 10 EDCDRP CN(CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)CC[NH+](C)C ZINC000883185048 597679838 /nfs/dbraw/zinc/67/98/38/597679838.db2.gz MYCONHNDZGJNRO-UHFFFAOYSA-N 2 0 348.535 1.621 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)cc2)CC1 ZINC000922727369 704275696 /nfs/dbraw/zinc/27/56/96/704275696.db2.gz UXLYQZVNTXGPLS-QRQLOZEOSA-N 2 0 331.460 1.332 20 10 EDCDRP C[C@@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccccc1O ZINC000378632912 447448464 /nfs/dbraw/zinc/44/84/64/447448464.db2.gz NHLGQAUEXICLPT-WBVHZDCISA-N 2 0 347.459 1.366 20 10 EDCDRP CN(C)c1ccc2c(c1)OCCN2C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433150931 446537789 /nfs/dbraw/zinc/53/77/89/446537789.db2.gz XUCYXWAVBAVUFP-UHFFFAOYSA-N 2 0 346.475 1.681 20 10 EDCDRP CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775698716 580397578 /nfs/dbraw/zinc/39/75/78/580397578.db2.gz WLNCFAAAMOXMFC-QGZVFWFLSA-N 2 0 330.476 1.396 20 10 EDCDRP COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000792200617 580813253 /nfs/dbraw/zinc/81/32/53/580813253.db2.gz JFPCOGJUGPDMGE-DLBZAZTESA-N 2 0 331.460 1.870 20 10 EDCDRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892431060 591025518 /nfs/dbraw/zinc/02/55/18/591025518.db2.gz OCDMPAQBUGJYOH-QAPCUYQASA-N 2 0 349.523 1.995 20 10 EDCDRP COc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(O)c1OC ZINC000894253534 591249228 /nfs/dbraw/zinc/24/92/28/591249228.db2.gz KVGFJHVZQRATGP-UHFFFAOYSA-N 2 0 337.464 1.525 20 10 EDCDRP CN(C)c1ccc([C@H](CNC(=O)N2CCC[N@H+](C)CC2)[NH+](C)C)cc1 ZINC000899102461 591682710 /nfs/dbraw/zinc/68/27/10/591682710.db2.gz PRDDJWWUODXSPN-SFHVURJKSA-N 2 0 347.507 1.702 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)cc2)CC1 ZINC000899211868 591733604 /nfs/dbraw/zinc/73/36/04/591733604.db2.gz OBZBBRZTVPELBB-GOSISDBHSA-N 2 0 344.503 1.927 20 10 EDCDRP CCCCOC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905427867 592532041 /nfs/dbraw/zinc/53/20/41/592532041.db2.gz OORSCVLQKSVKCD-IBGZPJMESA-N 2 0 335.492 1.706 20 10 EDCDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817888912 593645423 /nfs/dbraw/zinc/64/54/23/593645423.db2.gz LEKZWSIWFIHIFM-RDJZCZTQSA-N 2 0 332.492 1.995 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000817892435 593646100 /nfs/dbraw/zinc/64/61/00/593646100.db2.gz AASKKDVNYMJPAA-JWTNVVGKSA-N 2 0 344.503 1.690 20 10 EDCDRP CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(O)c1 ZINC000843047021 595272970 /nfs/dbraw/zinc/27/29/70/595272970.db2.gz LDEJCCNBCXZTKN-INIZCTEOSA-N 2 0 347.459 1.435 20 10 EDCDRP COc1cccc(O)c1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863641868 596640576 /nfs/dbraw/zinc/64/05/76/596640576.db2.gz DTFSWIVTGUIZDP-PBHICJAKSA-N 2 0 347.415 1.158 20 10 EDCDRP COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCCO1 ZINC000788535104 580723923 /nfs/dbraw/zinc/72/39/23/580723923.db2.gz KAQFPZMQXDUYGM-MOPGFXCFSA-N 2 0 333.476 1.722 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3([S@@](C)=O)CCC3)cc2)CC1 ZINC000797903835 580983472 /nfs/dbraw/zinc/98/34/72/580983472.db2.gz VUHFEYUVBKJUHT-HSZRJFAPSA-N 2 0 335.517 1.829 20 10 EDCDRP CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000892237914 590881252 /nfs/dbraw/zinc/88/12/52/590881252.db2.gz TYPQOSNVQIZDSU-WMZOPIPTSA-N 2 0 347.507 1.749 20 10 EDCDRP CN(C)c1ccc([C@H](CNC(=O)C2([NH+](C)C)CCC2)[NH+](C)C)cc1 ZINC000891248446 591017212 /nfs/dbraw/zinc/01/72/12/591017212.db2.gz LVPLGKKAUCMDCE-KRWDZBQOSA-N 2 0 332.492 1.956 20 10 EDCDRP CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)C[NH+](C)C)[NH+](C)C)cc1 ZINC000899097793 591678014 /nfs/dbraw/zinc/67/80/14/591678014.db2.gz GVTXCDBOIQTUQE-KRWDZBQOSA-N 2 0 349.523 1.995 20 10 EDCDRP CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902519467 592009672 /nfs/dbraw/zinc/00/96/72/592009672.db2.gz ZNXANWYBOYGACZ-RCCFBDPRSA-N 2 0 348.491 1.239 20 10 EDCDRP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000843048090 595273777 /nfs/dbraw/zinc/27/37/77/595273777.db2.gz MNFWZCQXBBWWSR-NJELEJDNSA-N 2 0 330.476 1.553 20 10 EDCDRP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c(O)c1 ZINC000843122889 595292583 /nfs/dbraw/zinc/29/25/83/595292583.db2.gz WFNYNHLRWWTGNQ-OAHLLOKOSA-N 2 0 335.448 1.610 20 10 EDCDRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230257 596009003 /nfs/dbraw/zinc/00/90/03/596009003.db2.gz KZMCUUFNRJMSFG-KYNGSXCRSA-N 2 0 333.476 1.490 20 10 EDCDRP CN(C)c1ccc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)cc1 ZINC000365013007 445975340 /nfs/dbraw/zinc/97/53/40/445975340.db2.gz BAJAJGVXFLRNDP-UHFFFAOYSA-N 2 0 330.476 1.491 20 10 EDCDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768461845 580213742 /nfs/dbraw/zinc/21/37/42/580213742.db2.gz GCHUZXSDOVXQGL-OVLVRJBISA-N 2 0 348.443 1.502 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC3CC[NH2+]CC3)cc2)CC1 ZINC000891975720 590719940 /nfs/dbraw/zinc/71/99/40/590719940.db2.gz BTCWWXROWDZXGT-UHFFFAOYSA-N 2 0 345.491 1.237 20 10 EDCDRP CCOC(=O)CC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905428730 592532133 /nfs/dbraw/zinc/53/21/33/592532133.db2.gz VMBOTULSPOJDDV-SFHVURJKSA-N 2 0 349.475 1.232 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCN[C@H]3C[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817897564 593646593 /nfs/dbraw/zinc/64/65/93/593646593.db2.gz RZTHFCFVLZFTIY-PXNSSMCTSA-N 2 0 346.519 1.795 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCN[C@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000817897637 593646703 /nfs/dbraw/zinc/64/67/03/593646703.db2.gz UJUSBEAFJSZJTK-OALUTQOASA-N 2 0 332.492 1.677 20 10 EDCDRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000817946306 593651137 /nfs/dbraw/zinc/65/11/37/593651137.db2.gz WGYILAXIQGWVPV-JTQLQIEISA-N 2 0 342.237 1.237 20 10 EDCDRP Oc1cc2c(cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)OCO2 ZINC000841071111 594847580 /nfs/dbraw/zinc/84/75/80/594847580.db2.gz VNASFADFKJUOQD-CQSZACIVSA-N 2 0 347.337 1.047 20 10 EDCDRP [NH3+]CC1(O)CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000841106560 594851646 /nfs/dbraw/zinc/85/16/46/594851646.db2.gz CQPQXDCQUJAIHX-UHFFFAOYSA-N 2 0 348.447 1.871 20 10 EDCDRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1 ZINC000848717866 595435481 /nfs/dbraw/zinc/43/54/81/595435481.db2.gz WOUNROSKSUBHPY-HOTGVXAUSA-N 2 0 337.489 1.281 20 10 EDCDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000853247237 595718922 /nfs/dbraw/zinc/71/89/22/595718922.db2.gz IOUSBZSYSBLBOF-UHFFFAOYSA-N 2 0 331.460 1.702 20 10 EDCDRP Oc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248534 595719092 /nfs/dbraw/zinc/71/90/92/595719092.db2.gz HGVCUXFEJQUJFQ-OAHLLOKOSA-N 2 0 341.459 1.905 20 10 EDCDRP Cc1cccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1O ZINC000863641714 596640599 /nfs/dbraw/zinc/64/05/99/596640599.db2.gz AAKYKFQVZBQCGT-CVEARBPZSA-N 2 0 331.416 1.458 20 10 EDCDRP C[NH2+]CCOCC[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000863648205 596644156 /nfs/dbraw/zinc/64/41/56/596644156.db2.gz NVTIWETWJLXVET-UHFFFAOYSA-N 2 0 347.253 1.831 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H](C)[NH+](C)C)CC2)cc1 ZINC000873845656 597417177 /nfs/dbraw/zinc/41/71/77/597417177.db2.gz WVYOKBBAFVBUMR-MRXNPFEDSA-N 2 0 348.491 1.274 20 10 EDCDRP C[NH+]1CCC(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000918857931 697215029 /nfs/dbraw/zinc/21/50/29/697215029.db2.gz XTYPSVPYXONNHP-UHFFFAOYSA-N 2 0 344.503 1.787 20 10 EDCDRP CN(C)c1ccc(C[NH+]2CCC(N3CCN(C)CC3=O)CC2)cc1F ZINC000365013008 445975142 /nfs/dbraw/zinc/97/51/42/445975142.db2.gz BBBNIUKUCWYXGB-UHFFFAOYSA-N 2 0 348.466 1.630 20 10 EDCDRP COc1c([O-])c(C[NH2+][C@@H]2CCc3nc(C)cn3C2)ccc1[N+](=O)[O-] ZINC000365803218 446348796 /nfs/dbraw/zinc/34/87/96/446348796.db2.gz AFTWZTLQCIEVKV-GFCCVEGCSA-N 2 0 332.360 1.919 20 10 EDCDRP COc1cccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1O ZINC000377624642 447252034 /nfs/dbraw/zinc/25/20/34/447252034.db2.gz LIJHUPIILGGQIR-INIZCTEOSA-N 2 0 333.476 1.860 20 10 EDCDRP CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775634207 580395755 /nfs/dbraw/zinc/39/57/55/580395755.db2.gz OQEAACRPZVECBQ-IBGZPJMESA-N 2 0 344.503 1.787 20 10 EDCDRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000892098133 590797832 /nfs/dbraw/zinc/79/78/32/590797832.db2.gz XSNJUIGLEMZISL-NVXWUHKLSA-N 2 0 345.491 1.378 20 10 EDCDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C/C=C\c1ccc(N(C)C)cc1)C2 ZINC000903977379 592399095 /nfs/dbraw/zinc/39/90/95/592399095.db2.gz QARQEVJFYVBLSY-DNCZNXPVSA-N 2 0 343.471 1.978 20 10 EDCDRP CN(C)c1ccc([C@H](CNC[C@H](O)C[N@H+](C)C2CC2)[NH+](C)C)cc1 ZINC000905703273 592616021 /nfs/dbraw/zinc/61/60/21/592616021.db2.gz HJORPCAHKAXDDM-OALUTQOASA-N 2 0 334.508 1.400 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000841845909 594963758 /nfs/dbraw/zinc/96/37/58/594963758.db2.gz HRTWEGDHJWDTEB-QZTJIDSGSA-N 2 0 326.444 1.611 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000841845977 594964011 /nfs/dbraw/zinc/96/40/11/594964011.db2.gz INQYGVBENMIXQC-OALUTQOASA-N 2 0 338.455 1.756 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@](C)([NH3+])c2ccccc2)cc1 ZINC000841846844 594964324 /nfs/dbraw/zinc/96/43/24/594964324.db2.gz WSUNTNPGUSKHGT-IEBWSBKVSA-N 2 0 326.444 1.743 20 10 EDCDRP CCOc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843122406 595292346 /nfs/dbraw/zinc/29/23/46/595292346.db2.gz SCHOSVWNYHZLEN-HNNXBMFYSA-N 2 0 335.448 1.610 20 10 EDCDRP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289963 597701273 /nfs/dbraw/zinc/70/12/73/597701273.db2.gz GNKICBZSUNXMGZ-HNNXBMFYSA-N 2 0 339.505 1.351 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]([NH3+])C(C)C)cc2F)CC1 ZINC000269308771 443276618 /nfs/dbraw/zinc/27/66/18/443276618.db2.gz VNXMZUMWDWUEKE-QGZVFWFLSA-N 2 0 336.455 1.567 20 10 EDCDRP C[NH+](C)CCOC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768445364 580213120 /nfs/dbraw/zinc/21/31/20/580213120.db2.gz HJMLCARVHTUCEW-QGZVFWFLSA-N 2 0 336.432 1.361 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](CO)Cc3ccco3)cc2)CC1 ZINC000771848009 580296537 /nfs/dbraw/zinc/29/65/37/580296537.db2.gz TUTFGKOXBQKTGQ-GOSISDBHSA-N 2 0 343.471 1.972 20 10 EDCDRP CCN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000892939474 591231811 /nfs/dbraw/zinc/23/18/11/591231811.db2.gz LQZXDWMMRHFFOH-SFHVURJKSA-N 2 0 345.491 1.332 20 10 EDCDRP COc1cccc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)c1O ZINC000904452017 592264576 /nfs/dbraw/zinc/26/45/76/592264576.db2.gz GHSWYUYPWPFYFJ-HNNXBMFYSA-N 2 0 329.400 1.826 20 10 EDCDRP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cc2)C1 ZINC000817889918 593645416 /nfs/dbraw/zinc/64/54/16/593645416.db2.gz QKLUDJUSOAIKBM-YQVWRLOYSA-N 2 0 344.503 1.995 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)CC2)cc1 ZINC000817896104 593646470 /nfs/dbraw/zinc/64/64/70/593646470.db2.gz YMGCOGDEXRFSHW-FXAWDEMLSA-N 2 0 346.519 1.795 20 10 EDCDRP COc1ccc(N2CCN(CCC[NH2+][C@@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000817897891 593647079 /nfs/dbraw/zinc/64/70/79/593647079.db2.gz XMRUDEBHGKHHRL-INIZCTEOSA-N 2 0 332.492 1.405 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCN3CCCO)cc2)CC1 ZINC000824564328 594039543 /nfs/dbraw/zinc/03/95/43/594039543.db2.gz IXPVRWWMFBVQKH-HXUWFJFHSA-N 2 0 346.519 1.375 20 10 EDCDRP CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000843046801 595272837 /nfs/dbraw/zinc/27/28/37/595272837.db2.gz CRPIWCNKHVEXAZ-INIZCTEOSA-N 2 0 348.466 1.536 20 10 EDCDRP C[C@H]1C[NH+]=C(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)N1 ZINC000849052728 595475804 /nfs/dbraw/zinc/47/58/04/595475804.db2.gz SJWIKCNTZYZPBP-HNNXBMFYSA-N 2 0 327.476 1.656 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852791755 595544865 /nfs/dbraw/zinc/54/48/65/595544865.db2.gz LTIZTINOQFOFQQ-ZFWWWQNUSA-N 2 0 344.381 1.411 20 10 EDCDRP CN1C[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1=O ZINC000862428659 596327578 /nfs/dbraw/zinc/32/75/78/596327578.db2.gz UJUGPINFMCJCMJ-GOSISDBHSA-N 2 0 330.476 1.491 20 10 EDCDRP C[NH+](C)CC1(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881854268 597756397 /nfs/dbraw/zinc/75/63/97/597756397.db2.gz ZBHOQZBHCFGZGF-UHFFFAOYSA-N 2 0 330.476 1.396 20 10 EDCDRP C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000924009674 696984826 /nfs/dbraw/zinc/98/48/26/696984826.db2.gz YFPOLBQASUQTCP-YJBOKZPZSA-N 2 0 345.491 1.330 20 10 EDCDRP Oc1cc2c(cc1C[NH+]1CCC(CO[C@@H]3CC[NH2+]C3)CC1)OCO2 ZINC000530249824 449093583 /nfs/dbraw/zinc/09/35/83/449093583.db2.gz ZASJYNQPGWZKOC-OAHLLOKOSA-N 2 0 334.416 1.711 20 10 EDCDRP CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775742970 580399262 /nfs/dbraw/zinc/39/92/62/580399262.db2.gz DNXRUPMKUBRZKJ-LJQANCHMSA-N 2 0 344.503 1.739 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000891997903 590736503 /nfs/dbraw/zinc/73/65/03/590736503.db2.gz AUUZMPMMKJCAOQ-QGZVFWFLSA-N 2 0 345.491 1.237 20 10 EDCDRP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892022130 590752280 /nfs/dbraw/zinc/75/22/80/590752280.db2.gz PGQDALMQYDQJEG-QGZVFWFLSA-N 2 0 333.480 1.221 20 10 EDCDRP CO[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000895606924 591820984 /nfs/dbraw/zinc/82/09/84/591820984.db2.gz IHYOBGHFNLRPNT-FQEVSTJZSA-N 2 0 347.503 1.970 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC(=S)NCC[NH+](C)C)[NH+](C)C)cc1 ZINC000899724686 591920525 /nfs/dbraw/zinc/92/05/25/591920525.db2.gz OSBYEJKNQIDWOI-MRXNPFEDSA-N 2 0 337.537 1.381 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3(CO)CCSCC3)cc2)CC1 ZINC000839181256 593271870 /nfs/dbraw/zinc/27/18/70/593271870.db2.gz GGDBLRAHXYUXIX-UHFFFAOYSA-N 2 0 335.517 1.786 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCCN3CCO)cc2)CC1 ZINC000824582587 594042341 /nfs/dbraw/zinc/04/23/41/594042341.db2.gz ATQAXBJCCSMJGV-FQEVSTJZSA-N 2 0 346.519 1.375 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)cc2F)CC1 ZINC000828876352 594522044 /nfs/dbraw/zinc/52/20/44/594522044.db2.gz CUFDROCCAPKJCL-QGZVFWFLSA-N 2 0 348.466 1.582 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CC[NH3+])cc2F)CC1 ZINC000841793140 594953974 /nfs/dbraw/zinc/95/39/74/594953974.db2.gz OEVJVGBVYYLYBZ-UHFFFAOYSA-N 2 0 337.443 1.068 20 10 EDCDRP Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1O ZINC000843056927 595276229 /nfs/dbraw/zinc/27/62/29/595276229.db2.gz CMHCLHPOWTVGJW-DOTOQJQBSA-N 2 0 331.460 1.781 20 10 EDCDRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000843121676 595291977 /nfs/dbraw/zinc/29/19/77/595291977.db2.gz GOWOCMGXICDPHV-AWEZNQCLSA-N 2 0 325.840 1.865 20 10 EDCDRP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000844222384 595306634 /nfs/dbraw/zinc/30/66/34/595306634.db2.gz CZPYWRMBDWCGEO-UHFFFAOYSA-N 2 0 344.503 1.787 20 10 EDCDRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876506770 597224504 /nfs/dbraw/zinc/22/45/04/597224504.db2.gz OHRQOJPIJQEVEM-ZWKOTPCHSA-N 2 0 342.443 1.577 20 10 EDCDRP CCOc1cccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1O ZINC000877669769 597546625 /nfs/dbraw/zinc/54/66/25/597546625.db2.gz YMOHWKWCPJSKID-IAGOWNOFSA-N 2 0 335.492 1.962 20 10 EDCDRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000922387658 711428217 /nfs/dbraw/zinc/42/82/17/711428217.db2.gz MCQAOQDGJLLWOP-SVYNMNNPSA-N 2 0 348.443 1.690 20 10 EDCDRP CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000368811699 447125526 /nfs/dbraw/zinc/12/55/26/447125526.db2.gz YZRDKTDUJQETDU-FUHWJXTLSA-N 2 0 333.476 1.792 20 10 EDCDRP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000727932982 578541340 /nfs/dbraw/zinc/54/13/40/578541340.db2.gz GOJTZFWSTHSCQG-UHFFFAOYSA-N 2 0 346.519 1.985 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](OCCO)C3)cc2)CC1 ZINC000775687880 580397291 /nfs/dbraw/zinc/39/72/91/580397291.db2.gz JVGWDOCRGOUQGU-IBGZPJMESA-N 2 0 333.476 1.412 20 10 EDCDRP C[NH+]1CCN(c2ccc(CN3CC[N@H+](CCO)C(C)(C)C3)cc2)CC1 ZINC000783714514 580604570 /nfs/dbraw/zinc/60/45/70/580604570.db2.gz QXQCYSKIIGJRCH-UHFFFAOYSA-N 2 0 346.519 1.327 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC3=CC[NH2+]CC3)cc2)CC1 ZINC000892072443 590784561 /nfs/dbraw/zinc/78/45/61/590784561.db2.gz SUJUBXRYGQWTLW-UHFFFAOYSA-N 2 0 343.475 1.157 20 10 EDCDRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000817888007 593645169 /nfs/dbraw/zinc/64/51/69/593645169.db2.gz IKCZCCNQQMXNJQ-OAHLLOKOSA-N 2 0 325.428 1.506 20 10 EDCDRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817894985 593646370 /nfs/dbraw/zinc/64/63/70/593646370.db2.gz PWPOTTBRZQIGCE-GOSISDBHSA-N 2 0 335.492 1.739 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCN[C@@H](C)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000817897428 593646665 /nfs/dbraw/zinc/64/66/65/593646665.db2.gz PHUZHSZASKVYRU-FXAWDEMLSA-N 2 0 346.519 1.937 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])C3CCC3)cc2F)CC1 ZINC000828882976 594523687 /nfs/dbraw/zinc/52/36/87/594523687.db2.gz GTPMFHBVCXRGNI-SFHVURJKSA-N 2 0 348.466 1.711 20 10 EDCDRP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000843046787 595273151 /nfs/dbraw/zinc/27/31/51/595273151.db2.gz BVAWXAHZPIGMDT-QGZVFWFLSA-N 2 0 330.476 1.396 20 10 EDCDRP CC[C@]1(C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)CCC[NH2+]1 ZINC000134366837 442474409 /nfs/dbraw/zinc/47/44/09/442474409.db2.gz JQJPAAUOICOYRH-GOSISDBHSA-N 2 0 334.439 1.384 20 10 EDCDRP CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000368811700 447125564 /nfs/dbraw/zinc/12/55/64/447125564.db2.gz YZRDKTDUJQETDU-SJLPKXTDSA-N 2 0 333.476 1.792 20 10 EDCDRP CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000769934954 580248854 /nfs/dbraw/zinc/24/88/54/580248854.db2.gz KOHFIJMHWWDOIF-KRWDZBQOSA-N 2 0 346.475 1.759 20 10 EDCDRP COCCN1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000771829282 580295937 /nfs/dbraw/zinc/29/59/37/580295937.db2.gz KQDAYWGPBPESFU-SFHVURJKSA-N 2 0 332.492 1.249 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNCc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903917977 592390660 /nfs/dbraw/zinc/39/06/60/592390660.db2.gz PMKAGRLCIGQFGD-FUHWJXTLSA-N 2 0 343.479 1.058 20 10 EDCDRP CCOc1cccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1O ZINC000816620134 593535634 /nfs/dbraw/zinc/53/56/34/593535634.db2.gz KDIUICVCEPJBJZ-UHFFFAOYSA-N 2 0 349.475 1.873 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCN[C@H](C)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000817897431 593646675 /nfs/dbraw/zinc/64/66/75/593646675.db2.gz PHUZHSZASKVYRU-YLJYHZDGSA-N 2 0 346.519 1.937 20 10 EDCDRP Oc1cccc2c1[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC000817974178 593652947 /nfs/dbraw/zinc/65/29/47/593652947.db2.gz ZZNZIOKIWIEAHV-GXTWGEPZSA-N 2 0 329.366 1.805 20 10 EDCDRP CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824709721 594060335 /nfs/dbraw/zinc/06/03/35/594060335.db2.gz SHKFDLGTBSIQGS-IEBWSBKVSA-N 2 0 333.476 1.580 20 10 EDCDRP C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000822520466 594061529 /nfs/dbraw/zinc/06/15/29/594061529.db2.gz CNHHYVPOYMHTDN-AZUAARDMSA-N 2 0 328.504 1.964 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)CC3(C[NH3+])CC3)cc2F)CC1 ZINC000828883186 594523711 /nfs/dbraw/zinc/52/37/11/594523711.db2.gz JTISDCSEDBJMGP-UHFFFAOYSA-N 2 0 348.466 1.713 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4NC(=O)CC[C@H]4C3)cc2)CC1 ZINC000827132313 594645703 /nfs/dbraw/zinc/64/57/03/594645703.db2.gz KUUGOIFRNVLART-PKOBYXMFSA-N 2 0 342.487 1.539 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000841846705 594963718 /nfs/dbraw/zinc/96/37/18/594963718.db2.gz TUTDUKKOTNRVJC-HKUYNNGSSA-N 2 0 340.471 1.829 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000843298682 595066939 /nfs/dbraw/zinc/06/69/39/595066939.db2.gz PTMUCRIWMQZDIF-INIZCTEOSA-N 2 0 327.432 1.643 20 10 EDCDRP CCN(CC)c1ccc(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000844220646 595306416 /nfs/dbraw/zinc/30/64/16/595306416.db2.gz IMQUSGNUMKMXIO-UHFFFAOYSA-N 2 0 332.492 1.787 20 10 EDCDRP C[C@@H]1C[C@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844223979 595307766 /nfs/dbraw/zinc/30/77/66/595307766.db2.gz DDPDSJSPOKABNK-VYDXJSESSA-N 2 0 332.492 1.674 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC3=[NH+]CCCN3C)cc2F)CC1 ZINC000849112080 595483927 /nfs/dbraw/zinc/48/39/27/595483927.db2.gz UFRFVLFJCHFNLQ-UHFFFAOYSA-N 2 0 333.455 1.749 20 10 EDCDRP COc1ccc(N2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000852747148 596237691 /nfs/dbraw/zinc/23/76/91/596237691.db2.gz YCEGIDFAXRIAQA-GOSISDBHSA-N 2 0 331.460 1.728 20 10 EDCDRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1C[NH+](C)C ZINC000870022664 596713324 /nfs/dbraw/zinc/71/33/24/596713324.db2.gz WPRLAJDCINEHNG-AJKQWTFCSA-N 2 0 347.459 1.309 20 10 EDCDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(O)c1O ZINC000272768472 279329388 /nfs/dbraw/zinc/32/93/88/279329388.db2.gz MNICDLXBHRRECV-HNNXBMFYSA-N 2 0 349.475 1.894 20 10 EDCDRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271185005 443494713 /nfs/dbraw/zinc/49/47/13/443494713.db2.gz JCASSQVGAZAPRS-UHFFFAOYSA-N 2 0 349.431 1.011 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H](C)[NH3+])cc2F)CC1 ZINC000277545170 444004036 /nfs/dbraw/zinc/00/40/36/444004036.db2.gz XQSPXXZLZNCDKF-CQSZACIVSA-N 2 0 336.455 1.711 20 10 EDCDRP COc1ccc(O)c(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000368052010 446622395 /nfs/dbraw/zinc/62/23/95/446622395.db2.gz RXINFKIXWOOXGY-MRXNPFEDSA-N 2 0 333.476 1.860 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CCO)C3CCOCC3)cc2)CC1 ZINC000763465584 580100537 /nfs/dbraw/zinc/10/05/37/580100537.db2.gz ASKSJFWSZROROQ-FQEVSTJZSA-N 2 0 347.503 1.706 20 10 EDCDRP CC(=O)N1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775644275 580396069 /nfs/dbraw/zinc/39/60/69/580396069.db2.gz DHVAUFBZXMJAKU-UHFFFAOYSA-N 2 0 330.476 1.493 20 10 EDCDRP COC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000787422101 580695032 /nfs/dbraw/zinc/69/50/32/580695032.db2.gz ZVDNNNDCHRGYRV-YJBOKZPZSA-N 2 0 331.460 1.822 20 10 EDCDRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892939155 591230927 /nfs/dbraw/zinc/23/09/27/591230927.db2.gz INAHNGVAPVTRIJ-GOEBONIOSA-N 2 0 331.464 1.070 20 10 EDCDRP C[NH+]1CCN(c2ccc(CN3C[C@@H](C(F)(F)F)[C@H]([NH3+])C3)cc2)CC1 ZINC000903981544 592401576 /nfs/dbraw/zinc/40/15/76/592401576.db2.gz FTWSDPZOPAYVAK-HZPDHXFCSA-N 2 0 342.409 1.760 20 10 EDCDRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000839540808 593337502 /nfs/dbraw/zinc/33/75/02/593337502.db2.gz WGWGQNKXCMLRIR-CYBMUJFWSA-N 2 0 335.448 1.652 20 10 EDCDRP NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)C1 ZINC000817888527 593645562 /nfs/dbraw/zinc/64/55/62/593645562.db2.gz HJQFGYRTALPMSO-NXYGQSRBSA-N 2 0 344.503 1.995 20 10 EDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CSC)cc2F)CC1 ZINC000819033880 593734948 /nfs/dbraw/zinc/73/49/48/593734948.db2.gz TVQBTEJDCOFISK-OAHLLOKOSA-N 2 0 341.496 1.781 20 10 EDCDRP C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000841846286 594964007 /nfs/dbraw/zinc/96/40/07/594964007.db2.gz OTTVCTAJNZFITM-KDOFPFPSSA-N 2 0 332.492 1.894 20 10 EDCDRP COc1ccc(N2CCN(C(=O)CN3CC[C@](C)(C[NH3+])C3)CC2)cc1 ZINC000844223846 595308121 /nfs/dbraw/zinc/30/81/21/595308121.db2.gz ILYHSNNCUWOMSC-LJQANCHMSA-N 2 0 346.475 1.015 20 10 EDCDRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1)CC[NH2+]CC2 ZINC000844225088 595309329 /nfs/dbraw/zinc/30/93/29/595309329.db2.gz YBFDZJBJWFOVCT-MRXNPFEDSA-N 2 0 344.503 1.833 20 10 EDCDRP CN1CCC[NH+]=C1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000849112592 595483868 /nfs/dbraw/zinc/48/38/68/595483868.db2.gz XCUFLWTUJGOJTF-UHFFFAOYSA-N 2 0 341.503 2.000 20 10 EDCDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221964 596006576 /nfs/dbraw/zinc/00/65/76/596006576.db2.gz VXTZZDQKJFVKBO-ZIAGYGMSSA-N 2 0 325.478 1.137 20 10 EDCDRP CC[C@H]1COCCN1CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000873189635 597222964 /nfs/dbraw/zinc/22/29/64/597222964.db2.gz SDZMNWWEUNRLDN-IBGZPJMESA-N 2 0 346.519 1.639 20 10 EDCDRP CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000922592209 704103465 /nfs/dbraw/zinc/10/34/65/704103465.db2.gz NQVOLIVGIPBWMH-LJQANCHMSA-N 2 0 346.519 1.639 20 10 EDCDRP CCn1cnnc1CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771840830 580296382 /nfs/dbraw/zinc/29/63/82/580296382.db2.gz GYLBRDRIGGLQSS-UHFFFAOYSA-N 2 0 328.464 1.382 20 10 EDCDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](CCCCO)CC3)cc2)CC1 ZINC000775690229 580397274 /nfs/dbraw/zinc/39/72/74/580397274.db2.gz LOAGCTRTPWONPJ-UHFFFAOYSA-N 2 0 346.519 1.329 20 10 EDCDRP COCC1(O)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775707257 580398060 /nfs/dbraw/zinc/39/80/60/580398060.db2.gz FOJWFFQZBHDALZ-UHFFFAOYSA-N 2 0 333.476 1.412 20 10 EDCDRP CNC(=O)C1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1 ZINC000779175351 580480579 /nfs/dbraw/zinc/48/05/79/580480579.db2.gz DIGNMUHYQSSLMS-UHFFFAOYSA-N 2 0 330.476 1.587 20 10 EDCDRP CN(C)c1ccc([C@H](CNC(=O)C[N@H+](C)C2CCC2)[NH+](C)C)cc1 ZINC000891248498 591017072 /nfs/dbraw/zinc/01/70/72/591017072.db2.gz NKVLTROLOCTHCP-SFHVURJKSA-N 2 0 332.492 1.956 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC(=O)N(C)CC2C[NH+](C)C2)[NH+](C)C)cc1 ZINC000899098741 591687945 /nfs/dbraw/zinc/68/79/45/591687945.db2.gz RHHSWRJGARDOJB-GOSISDBHSA-N 2 0 347.507 1.558 20 10 EDCDRP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)C1 ZINC000817888526 593645544 /nfs/dbraw/zinc/64/55/44/593645544.db2.gz HJQFGYRTALPMSO-IIIMJFFVSA-N 2 0 344.503 1.995 20 10 EDCDRP CC(C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCC(=O)N1 ZINC000840975354 594834410 /nfs/dbraw/zinc/83/44/10/594834410.db2.gz GIGCNNDPZRLBAI-SFHVURJKSA-N 2 0 344.503 1.927 20 10 EDCDRP C[C@@H]1C[NH+]=C(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)N1 ZINC000849052729 595475670 /nfs/dbraw/zinc/47/56/70/595475670.db2.gz SJWIKCNTZYZPBP-OAHLLOKOSA-N 2 0 327.476 1.656 20 10 EDCDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000853247552 595719597 /nfs/dbraw/zinc/71/95/97/595719597.db2.gz TYUPCKIFLWMVFX-UHFFFAOYSA-N 2 0 349.431 1.201 20 10 EDCDRP CO[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000850341454 595813540 /nfs/dbraw/zinc/81/35/40/595813540.db2.gz AGIWCSOFEGMUKP-PKOBYXMFSA-N 2 0 333.476 1.580 20 10 EDCDRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883204743 597685283 /nfs/dbraw/zinc/68/52/83/597685283.db2.gz HGAVPOREBNUJTO-GOSISDBHSA-N 2 0 345.491 1.332 20 10 EDCDRP CC1CC[NH+](CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000881851483 597754664 /nfs/dbraw/zinc/75/46/64/597754664.db2.gz VRRGWEJZDHOCMH-UHFFFAOYSA-N 2 0 344.503 1.787 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[NH2+]C3)cc2F)CC1 ZINC000236999910 249302028 /nfs/dbraw/zinc/30/20/28/249302028.db2.gz KBLUXUKCYZSOCE-OAHLLOKOSA-N 2 0 334.439 1.193 20 10 EDCDRP Oc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCOCC3)CC1)[C@@H](O)CO2 ZINC000768440860 580212847 /nfs/dbraw/zinc/21/28/47/580212847.db2.gz ZSIDFNUHCBPRDA-SFHVURJKSA-N 2 0 348.443 1.362 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCN3CCOC(C)(C)C3)cc2)CC1 ZINC000771832659 580296035 /nfs/dbraw/zinc/29/60/35/580296035.db2.gz NFVVQUFKNQTPCR-UHFFFAOYSA-N 2 0 346.519 1.639 20 10 EDCDRP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000787422099 580695043 /nfs/dbraw/zinc/69/50/43/580695043.db2.gz ZVDNNNDCHRGYRV-MAUKXSAKSA-N 2 0 331.460 1.822 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000789767743 580753001 /nfs/dbraw/zinc/75/30/01/580753001.db2.gz JLGQBXLXIQPZTM-LJQANCHMSA-N 2 0 328.460 1.150 20 10 EDCDRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892431058 591025346 /nfs/dbraw/zinc/02/53/46/591025346.db2.gz OCDMPAQBUGJYOH-CRAIPNDOSA-N 2 0 349.523 1.995 20 10 EDCDRP COc1cc(O)c(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1OC ZINC000904391481 592243216 /nfs/dbraw/zinc/24/32/16/592243216.db2.gz HACGBSBTHJHBPA-CQSZACIVSA-N 2 0 336.432 1.739 20 10 EDCDRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(Br)cc1O ZINC000817945125 593651135 /nfs/dbraw/zinc/65/11/35/593651135.db2.gz URGAWAIVYNFQSG-LLVKDONJSA-N 2 0 328.254 1.711 20 10 EDCDRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3cccc(O)c32)(N2CCOCC2)CC1 ZINC000840831681 594819373 /nfs/dbraw/zinc/81/93/73/594819373.db2.gz IPARHWFZAMJGNU-QGZVFWFLSA-N 2 0 345.487 1.766 20 10 EDCDRP C[NH+]1CCN(c2ccc(CN[C@H](CC[NH3+])C(F)(F)F)cc2)CC1 ZINC000841089998 594849728 /nfs/dbraw/zinc/84/97/28/594849728.db2.gz CQIOURUONZSABN-OAHLLOKOSA-N 2 0 330.398 1.808 20 10 EDCDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000841099076 594850695 /nfs/dbraw/zinc/85/06/95/594850695.db2.gz CWSQLGWTAQCOGW-OAHLLOKOSA-N 2 0 331.420 1.678 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2F)CC1 ZINC000844191524 595298566 /nfs/dbraw/zinc/29/85/66/595298566.db2.gz WEFGNQBEBUKOMB-HWWDLCQESA-N 2 0 346.450 1.049 20 10 EDCDRP COc1cccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1O ZINC000863642280 596641554 /nfs/dbraw/zinc/64/15/54/596641554.db2.gz NPLRVQGTILBSPH-ZBFHGGJFSA-N 2 0 347.415 1.158 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCN4C(=O)CC[C@@H]4C3)cc2)CC1 ZINC000775667274 580396675 /nfs/dbraw/zinc/39/66/75/580396675.db2.gz HMEMDOOJTYIFIV-GOSISDBHSA-N 2 0 328.460 1.245 20 10 EDCDRP COCCn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000800284931 581049703 /nfs/dbraw/zinc/04/97/03/581049703.db2.gz DBBMTGQDXXXIAP-UHFFFAOYSA-N 2 0 343.475 1.571 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000892330781 590955989 /nfs/dbraw/zinc/95/59/89/590955989.db2.gz NELAJJCYQQKZFG-ZWKOTPCHSA-N 2 0 347.507 1.749 20 10 EDCDRP Cc1c(C[C@@H](C[NH3+])CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C ZINC000903918232 592390719 /nfs/dbraw/zinc/39/07/19/592390719.db2.gz VLLTXCLWLIHDHM-KXBFYZLASA-N 2 0 344.507 1.202 20 10 EDCDRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817888911 593645519 /nfs/dbraw/zinc/64/55/19/593645519.db2.gz LEKZWSIWFIHIFM-NVXWUHKLSA-N 2 0 332.492 1.995 20 10 EDCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1C[NH2+]C1 ZINC000817917072 593648491 /nfs/dbraw/zinc/64/84/91/593648491.db2.gz MWRDZOFVXHDISC-INIZCTEOSA-N 3 0 328.504 1.916 20 10 EDCDRP Cc1cc(N(C)C)ccc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000840934508 594829826 /nfs/dbraw/zinc/82/98/26/594829826.db2.gz RANQDKNJAHWJHM-KRWDZBQOSA-N 2 0 332.492 1.738 20 10 EDCDRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1(C)C ZINC000841846821 594964311 /nfs/dbraw/zinc/96/43/11/594964311.db2.gz WCURDNKCQILUFR-MDZRGWNJSA-N 2 0 348.491 1.401 20 10 EDCDRP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000843046891 595273177 /nfs/dbraw/zinc/27/31/77/595273177.db2.gz HTIUWDYRSYEEOV-OAHLLOKOSA-N 2 0 347.459 1.435 20 10 EDCDRP CCO[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000922756093 704316098 /nfs/dbraw/zinc/31/60/98/704316098.db2.gz FKBBNPFWAFTLEN-INIZCTEOSA-N 2 0 339.455 1.719 20 10 EDCDRP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771817653 580295356 /nfs/dbraw/zinc/29/53/56/580295356.db2.gz BHFGJUWZYFDHBZ-INIZCTEOSA-N 2 0 325.460 1.949 20 10 EDCDRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771867761 580297089 /nfs/dbraw/zinc/29/70/89/580297089.db2.gz JBYQVYDFKWRHTO-MSOLQXFVSA-N 2 0 330.476 1.443 20 10 EDCDRP CCCCC[N@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780781997 580533533 /nfs/dbraw/zinc/53/35/33/580533533.db2.gz JMAVSAKOQQKZBM-UHFFFAOYSA-N 2 0 332.492 1.916 20 10 EDCDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000799346529 581026074 /nfs/dbraw/zinc/02/60/74/581026074.db2.gz NAQYHVUYTVRVKA-UHFFFAOYSA-N 2 0 346.519 1.639 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000892052981 590773537 /nfs/dbraw/zinc/77/35/37/590773537.db2.gz DUKZYWOMUHVBRQ-UHFFFAOYSA-N 2 0 331.464 1.119 20 10 EDCDRP Cc1c(C[C@@H](C[NH3+])CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C ZINC000903918231 592390232 /nfs/dbraw/zinc/39/02/32/592390232.db2.gz VLLTXCLWLIHDHM-HNAYVOBHSA-N 2 0 344.507 1.202 20 10 EDCDRP O=C(C[NH2+]Cc1ccc2c(c1)CCO2)NCC[NH+]1CCCCCC1 ZINC000816620649 593535640 /nfs/dbraw/zinc/53/56/40/593535640.db2.gz DZXPQDONGPUTBE-UHFFFAOYSA-N 2 0 331.460 1.703 20 10 EDCDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000817888869 593645327 /nfs/dbraw/zinc/64/53/27/593645327.db2.gz KGUBVCDLKCJIES-AYBZRNKSSA-N 2 0 344.503 1.866 20 10 EDCDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000829296666 594594383 /nfs/dbraw/zinc/59/43/83/594594383.db2.gz LSFZUAJWPIHHOK-IBGZPJMESA-N 2 0 344.503 1.927 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@](C)([NH3+])c2ccccc2)cc1 ZINC000841846843 594964273 /nfs/dbraw/zinc/96/42/73/594964273.db2.gz WSUNTNPGUSKHGT-HKUYNNGSSA-N 2 0 326.444 1.743 20 10 EDCDRP CCN1C[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000846090520 595140437 /nfs/dbraw/zinc/14/04/37/595140437.db2.gz BSOIGIVDOBZIHB-QGZVFWFLSA-N 2 0 330.476 1.396 20 10 EDCDRP Cn1cnc(CCC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000842738618 595185530 /nfs/dbraw/zinc/18/55/30/595185530.db2.gz PTZRVWDLDDZSER-UHFFFAOYSA-N 2 0 328.464 1.289 20 10 EDCDRP COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862465021 596333633 /nfs/dbraw/zinc/33/36/33/596333633.db2.gz CMFWWKDTAZIDNZ-KRWDZBQOSA-N 2 0 329.444 1.790 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CCO)C3CCOCC3)cc2)CC1 ZINC000763465585 580100482 /nfs/dbraw/zinc/10/04/82/580100482.db2.gz ASKSJFWSZROROQ-HXUWFJFHSA-N 2 0 347.503 1.706 20 10 EDCDRP CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775634208 580395802 /nfs/dbraw/zinc/39/58/02/580395802.db2.gz OQEAACRPZVECBQ-LJQANCHMSA-N 2 0 344.503 1.787 20 10 EDCDRP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648851 580396316 /nfs/dbraw/zinc/39/63/16/580396316.db2.gz GRBJSWKBZKLUHE-WBVHZDCISA-N 2 0 330.476 1.524 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3CC(N)=O)cc2)CC1 ZINC000775664596 580396646 /nfs/dbraw/zinc/39/66/46/580396646.db2.gz NGOACFVFHAIKBT-GOSISDBHSA-N 2 0 330.476 1.668 20 10 EDCDRP COc1ccc(N2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1F ZINC000903740117 592302383 /nfs/dbraw/zinc/30/23/83/592302383.db2.gz DQHGKZJZLGKTGW-VQIMIIECSA-N 2 0 349.450 1.725 20 10 EDCDRP COCC[C@@H]1COCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000812787029 593509307 /nfs/dbraw/zinc/50/93/07/593509307.db2.gz ZLSPPCSIRQFXBT-LJQANCHMSA-N 2 0 333.476 1.676 20 10 EDCDRP COc1ccc(O)c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000816620672 593535483 /nfs/dbraw/zinc/53/54/83/593535483.db2.gz GEWXXTFIHTXGFF-UHFFFAOYSA-N 2 0 335.448 1.483 20 10 EDCDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817888871 593645429 /nfs/dbraw/zinc/64/54/29/593645429.db2.gz KGUBVCDLKCJIES-SUMDDJOVSA-N 2 0 344.503 1.866 20 10 EDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)COC)cc2F)CC1 ZINC000819032097 593734757 /nfs/dbraw/zinc/73/47/57/593734757.db2.gz DNFZOKASDLELOH-HNNXBMFYSA-N 2 0 325.428 1.065 20 10 EDCDRP CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824709718 594060148 /nfs/dbraw/zinc/06/01/48/594060148.db2.gz SHKFDLGTBSIQGS-HKUYNNGSSA-N 2 0 333.476 1.580 20 10 EDCDRP Cc1cc(O)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000841071488 594847692 /nfs/dbraw/zinc/84/76/92/594847692.db2.gz YJLYUHZQQXETFC-OAHLLOKOSA-N 2 0 331.382 1.935 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000841845794 594963281 /nfs/dbraw/zinc/96/32/81/594963281.db2.gz DTLKJEZUJKLGIJ-QZTJIDSGSA-N 2 0 344.434 1.750 20 10 EDCDRP [NH2+]=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)N1CCC1 ZINC000849112326 595484052 /nfs/dbraw/zinc/48/40/52/595484052.db2.gz IYDGZZQICVSZGB-UHFFFAOYSA-N 2 0 327.476 1.949 20 10 EDCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](O)C(F)(F)F ZINC000865712521 596657755 /nfs/dbraw/zinc/65/77/55/596657755.db2.gz ZFXUEUKWPBRXQA-DOMZBBRYSA-N 2 0 331.382 1.840 20 10 EDCDRP CCOc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(O)c1 ZINC000872255489 596856604 /nfs/dbraw/zinc/85/66/04/596856604.db2.gz YKICYWGOUCEJBA-LXZKKBNFSA-N 2 0 347.415 1.158 20 10 EDCDRP CC[NH+](CC)CC[C@@H](CO)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883160262 597671917 /nfs/dbraw/zinc/67/19/17/597671917.db2.gz KRNPPNPJFBGRBD-IBGZPJMESA-N 2 0 348.535 1.621 20 10 EDCDRP CCN1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1=O ZINC000922640353 704179037 /nfs/dbraw/zinc/17/90/37/704179037.db2.gz ULRHLDNRZCWKGY-GOSISDBHSA-N 2 0 330.476 1.539 20 10 EDCDRP C[C@H](O)C[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000793588279 580848333 /nfs/dbraw/zinc/84/83/33/580848333.db2.gz IHPWXPGJTOZDKG-ROUUACIJSA-N 2 0 346.519 1.325 20 10 EDCDRP CC(C)[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892658871 591114130 /nfs/dbraw/zinc/11/41/30/591114130.db2.gz OBZNPSVMATULRC-SFHVURJKSA-N 2 0 349.523 1.995 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)CC2)cc1 ZINC000817896109 593646477 /nfs/dbraw/zinc/64/64/77/593646477.db2.gz YMGCOGDEXRFSHW-YLJYHZDGSA-N 2 0 346.519 1.795 20 10 EDCDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000841098947 594850970 /nfs/dbraw/zinc/85/09/70/594850970.db2.gz AJLLQBCDANDDOA-GOSISDBHSA-N 2 0 328.464 1.948 20 10 EDCDRP C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000841867135 594968021 /nfs/dbraw/zinc/96/80/21/594968021.db2.gz SGMAJXNZMJYWCJ-OAHLLOKOSA-N 2 0 345.491 1.365 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCN(C(C)(C)C)C3=O)cc2)CC1 ZINC000842720173 595179894 /nfs/dbraw/zinc/17/98/94/595179894.db2.gz CYZUBVPVKGRAIG-GOSISDBHSA-N 2 0 344.503 1.927 20 10 EDCDRP CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000843122004 595292001 /nfs/dbraw/zinc/29/20/01/595292001.db2.gz MTHBALWMMQNTTF-OAHLLOKOSA-N 2 0 335.448 1.610 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cc2)CC1 ZINC000771841684 580296354 /nfs/dbraw/zinc/29/63/54/580296354.db2.gz JJOPUJAMUGDKTO-INIZCTEOSA-N 2 0 337.489 1.105 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc2)CC1 ZINC000790618505 580773994 /nfs/dbraw/zinc/77/39/94/580773994.db2.gz IJHMNAGMTHALSF-HKUYNNGSSA-N 2 0 349.519 1.686 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC3([NH3+])CCCC3)cc2)CC1 ZINC000892248342 590885953 /nfs/dbraw/zinc/88/59/53/590885953.db2.gz FKNZBDFIJWSXTG-UHFFFAOYSA-N 2 0 345.491 1.509 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC(=O)C[N@H+](C)C2CCC2)[NH+](C)C)cc1 ZINC000891248497 591017373 /nfs/dbraw/zinc/01/73/73/591017373.db2.gz NKVLTROLOCTHCP-GOSISDBHSA-N 2 0 332.492 1.956 20 10 EDCDRP CC[N@H+](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000891252330 591021240 /nfs/dbraw/zinc/02/12/40/591021240.db2.gz JNOAHHPHKMKACP-GOSISDBHSA-N 2 0 332.492 1.956 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(N3CC[NH2+]CC3)o2)cc1 ZINC000904353196 592237648 /nfs/dbraw/zinc/23/76/48/592237648.db2.gz IHRGUIJVTZNBOU-SFHVURJKSA-N 2 0 343.475 1.545 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)C3(O)CCCC3)cc2)CC1 ZINC000905426234 592531183 /nfs/dbraw/zinc/53/11/83/592531183.db2.gz GCHOZJJLSPKMGA-SFHVURJKSA-N 2 0 333.476 1.194 20 10 EDCDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809740956 593357230 /nfs/dbraw/zinc/35/72/30/593357230.db2.gz GYWHRTRBOSYAQP-UHFFFAOYSA-N 3 0 347.551 1.364 20 10 EDCDRP COc1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1C ZINC000840954743 594832145 /nfs/dbraw/zinc/83/21/45/594832145.db2.gz JAXAWWAFKWRYCJ-UHFFFAOYSA-N 2 0 347.503 1.890 20 10 EDCDRP CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(O)c1 ZINC000841099305 594850599 /nfs/dbraw/zinc/85/05/99/594850599.db2.gz HUYWKQNGSNUAAA-OAHLLOKOSA-N 2 0 331.420 1.678 20 10 EDCDRP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841845804 594963781 /nfs/dbraw/zinc/96/37/81/594963781.db2.gz FBLZSSNRIMNRBN-ZWKOTPCHSA-N 2 0 326.444 1.877 20 10 EDCDRP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841845933 594964022 /nfs/dbraw/zinc/96/40/22/594964022.db2.gz ICJWHTOZJLBCSM-ROUUACIJSA-N 2 0 326.444 1.877 20 10 EDCDRP CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@H]2CC[NH3+])cc1 ZINC000844223683 595308172 /nfs/dbraw/zinc/30/81/72/595308172.db2.gz GSRVKVPPKOAMJW-SFHVURJKSA-N 2 0 332.492 1.914 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000848716361 595435194 /nfs/dbraw/zinc/43/51/94/595435194.db2.gz BZWWNNPQMSJIOI-SJORKVTESA-N 2 0 332.492 1.677 20 10 EDCDRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000863541741 596613050 /nfs/dbraw/zinc/61/30/50/596613050.db2.gz BICJAZGAFOHVAS-AWEZNQCLSA-N 2 0 325.428 1.549 20 10 EDCDRP OC1CCN(c2ccc(C[NH2+]CCCC[NH+]3CCOCC3)cc2)CC1 ZINC000876935442 597389953 /nfs/dbraw/zinc/38/99/53/597389953.db2.gz COFUCCLQNCICFP-UHFFFAOYSA-N 2 0 347.503 1.850 20 10 EDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000732569686 578719250 /nfs/dbraw/zinc/71/92/50/578719250.db2.gz VUALNFDQFMVKDC-UHFFFAOYSA-N 2 0 332.492 1.642 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000775727408 580398633 /nfs/dbraw/zinc/39/86/33/580398633.db2.gz QOLVUALAHMTTQQ-QGZVFWFLSA-N 2 0 330.476 1.526 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000775727407 580398663 /nfs/dbraw/zinc/39/86/63/580398663.db2.gz QOLVUALAHMTTQQ-KRWDZBQOSA-N 2 0 330.476 1.526 20 10 EDCDRP COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCO1 ZINC000788535110 580723983 /nfs/dbraw/zinc/72/39/83/580723983.db2.gz KAQFPZMQXDUYGM-RTBURBONSA-N 2 0 333.476 1.722 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[NH+](C)C)cc1 ZINC000891247300 591016618 /nfs/dbraw/zinc/01/66/18/591016618.db2.gz TWMUAJJDBFFNKV-QGZVFWFLSA-N 2 0 332.492 1.813 20 10 EDCDRP Cc1cc(Br)cc(CN2CC[NH2+]CC[NH2+]CC2)c1O ZINC000904397107 592244482 /nfs/dbraw/zinc/24/44/82/592244482.db2.gz YXAHQOSGHMPAJK-UHFFFAOYSA-N 2 0 328.254 1.458 20 10 EDCDRP COc1cccc(O)c1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071441 594847504 /nfs/dbraw/zinc/84/75/04/594847504.db2.gz XHNLQBIVLMWAKC-CQSZACIVSA-N 2 0 333.354 1.327 20 10 EDCDRP COc1cccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1O ZINC000841071101 594847656 /nfs/dbraw/zinc/84/76/56/594847656.db2.gz VJSBGFUUZYUOHC-CYBMUJFWSA-N 2 0 333.354 1.327 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000841845907 594963835 /nfs/dbraw/zinc/96/38/35/594963835.db2.gz HRTWEGDHJWDTEB-MSOLQXFVSA-N 2 0 326.444 1.611 20 10 EDCDRP CN(C)c1ccc(CN(C)C(=O)CN2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000844223571 595308026 /nfs/dbraw/zinc/30/80/26/595308026.db2.gz CQISGFDMABMRET-HXUWFJFHSA-N 2 0 344.503 1.787 20 10 EDCDRP COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000863557919 596618425 /nfs/dbraw/zinc/61/84/25/596618425.db2.gz SWBYWFQYRNCVFE-AEFFLSMTSA-N 2 0 333.476 1.568 20 10 EDCDRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882985062 597607034 /nfs/dbraw/zinc/60/70/34/597607034.db2.gz FMCJZXXZDXKFIG-NSHDSACASA-N 2 0 327.375 1.347 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000268867140 443131394 /nfs/dbraw/zinc/13/13/94/443131394.db2.gz WTTQBLFRAAHSRI-ZWKOTPCHSA-N 2 0 346.519 1.890 20 10 EDCDRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3C[C@H]([NH3+])Cc4ccccc43)c21 ZINC000592566641 448903357 /nfs/dbraw/zinc/90/33/57/448903357.db2.gz POGBRJAEXKXECJ-UONOGXRCSA-N 2 0 325.416 1.249 20 10 EDCDRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3C[C@H]([NH3+])Cc4ccccc43)c21 ZINC000592567070 448904587 /nfs/dbraw/zinc/90/45/87/448904587.db2.gz POGBRJAEXKXECJ-ZIAGYGMSSA-N 2 0 325.416 1.249 20 10 EDCDRP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C(N)=O)C1 ZINC000779200523 580480921 /nfs/dbraw/zinc/48/09/21/580480921.db2.gz IDXPSZVPJVGZAK-QAPCUYQASA-N 2 0 330.476 1.524 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000892939420 591231804 /nfs/dbraw/zinc/23/18/04/591231804.db2.gz KKKVCSQQEYMCCN-LJQANCHMSA-N 2 0 345.491 1.319 20 10 EDCDRP COc1cc(C)cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC000894242906 591242915 /nfs/dbraw/zinc/24/29/15/591242915.db2.gz BTINJSGOCQZRKS-CQSZACIVSA-N 2 0 335.448 1.386 20 10 EDCDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000809740888 593357290 /nfs/dbraw/zinc/35/72/90/593357290.db2.gz FAHYGLOLHFEICI-UHFFFAOYSA-N 2 0 334.508 1.448 20 10 EDCDRP NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cc2)C1 ZINC000817889915 593645395 /nfs/dbraw/zinc/64/53/95/593645395.db2.gz QKLUDJUSOAIKBM-LNLFQRSKSA-N 2 0 344.503 1.995 20 10 EDCDRP Oc1cccc2c1[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC000817974179 593652706 /nfs/dbraw/zinc/65/27/06/593652706.db2.gz ZZNZIOKIWIEAHV-JSGCOSHPSA-N 2 0 329.366 1.805 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](N4CCOC4=O)C3)cc2)CC1 ZINC000826999719 594620258 /nfs/dbraw/zinc/62/02/58/594620258.db2.gz ACTGIOZMUBQNPD-SFHVURJKSA-N 2 0 344.459 1.465 20 10 EDCDRP c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843124235 595292501 /nfs/dbraw/zinc/29/25/01/595292501.db2.gz ZRECQYCFKKXKFH-LJQANCHMSA-N 2 0 330.476 1.003 20 10 EDCDRP CN(CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)CC[NH+](C)C ZINC000857784369 595611659 /nfs/dbraw/zinc/61/16/59/595611659.db2.gz YEUZSNWSXCNBFJ-UHFFFAOYSA-N 3 0 347.551 1.412 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cc2)CC1 ZINC000862526410 596340238 /nfs/dbraw/zinc/34/02/38/596340238.db2.gz AUSGYZOCUXAPLO-YDIMBITNSA-N 2 0 347.528 1.924 20 10 EDCDRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000377625261 447252290 /nfs/dbraw/zinc/25/22/90/447252290.db2.gz LYQIIHSBJHYPRD-HNNXBMFYSA-N 2 0 347.459 1.580 20 10 EDCDRP [NH3+]Cc1cccc2c1N(C(=O)c1cnn3c1[C@@H](C[NH3+])CCC3)CCC2 ZINC000602541056 449662181 /nfs/dbraw/zinc/66/21/81/449662181.db2.gz YWZWGALQXDLRJF-OAHLLOKOSA-N 2 0 339.443 1.771 20 10 EDCDRP Oc1cc2c(cc1C[NH+]1CCN(c3cc[nH+]cc3)CC1)[C@H](O)CO2 ZINC000768443148 580213014 /nfs/dbraw/zinc/21/30/14/580213014.db2.gz ZOJYUAKBNLTRDK-QGZVFWFLSA-N 2 0 327.384 1.535 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000891997902 590736436 /nfs/dbraw/zinc/73/64/36/590736436.db2.gz AUUZMPMMKJCAOQ-KRWDZBQOSA-N 2 0 345.491 1.237 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000892081618 590789774 /nfs/dbraw/zinc/78/97/74/590789774.db2.gz CGEIMWIHTFGWMZ-QGZVFWFLSA-N 2 0 345.491 1.380 20 10 EDCDRP Oc1cc(OCc2ccccc2)ccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904397040 592244072 /nfs/dbraw/zinc/24/40/72/592244072.db2.gz WSOHGSITRHQDNH-UHFFFAOYSA-N 2 0 341.455 1.966 20 10 EDCDRP CN(C)c1ccc(CN2CC[NH2+]CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000904396533 592244293 /nfs/dbraw/zinc/24/42/93/592244293.db2.gz JWOBZKWFYJQRRS-UHFFFAOYSA-N 2 0 330.398 1.766 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)[C@@H]3CCCOC3)cc2)CC1 ZINC000840962103 594833586 /nfs/dbraw/zinc/83/35/86/594833586.db2.gz FJODTEGTRIQLEG-IEBWSBKVSA-N 2 0 333.476 1.316 20 10 EDCDRP CN(C)c1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000841069824 594847346 /nfs/dbraw/zinc/84/73/46/594847346.db2.gz DSUVSJLVMVXCQR-OAHLLOKOSA-N 2 0 348.388 1.817 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@H](C)[NH3+])cc2F)CC1 ZINC000841793632 594954231 /nfs/dbraw/zinc/95/42/31/594954231.db2.gz RVQVOEMIAFKSCS-ZDUSSCGKSA-N 2 0 337.443 1.114 20 10 EDCDRP CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1O ZINC000843047231 595272782 /nfs/dbraw/zinc/27/27/82/595272782.db2.gz OXHWBXVOWGDNIC-INIZCTEOSA-N 2 0 347.459 1.435 20 10 EDCDRP CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1F ZINC000843121304 595291654 /nfs/dbraw/zinc/29/16/54/595291654.db2.gz CNPCXRPEMLFCSY-HNNXBMFYSA-N 2 0 336.455 1.711 20 10 EDCDRP COc1cc(O)c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000843125430 595293060 /nfs/dbraw/zinc/29/30/60/595293060.db2.gz WFNMUDFLNGCNCD-AWEZNQCLSA-N 2 0 336.432 1.597 20 10 EDCDRP COc1ccc(N2CCCN(Cc3nc(C(C)(C)[NH3+])no3)CC2)cc1 ZINC000844221327 595306286 /nfs/dbraw/zinc/30/62/86/595306286.db2.gz CVOIHXUNWICBHH-UHFFFAOYSA-N 2 0 345.447 1.984 20 10 EDCDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000853247655 595719565 /nfs/dbraw/zinc/71/95/65/595719565.db2.gz WRLMWZXMMQSVET-UHFFFAOYSA-N 2 0 332.492 1.833 20 10 EDCDRP CN(CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(F)F ZINC000858336905 595767786 /nfs/dbraw/zinc/76/77/86/595767786.db2.gz VCXKCFKIKLANRY-UHFFFAOYSA-N 2 0 326.435 1.725 20 10 EDCDRP CN(C)c1ccc(CNC(=O)CN2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852108787 596046857 /nfs/dbraw/zinc/04/68/57/596046857.db2.gz MRVHIWWSWOXSCW-HXUWFJFHSA-N 2 0 344.503 1.787 20 10 EDCDRP OC1CCN(c2ccc(C[NH2+]CCC[NH+]3CCC(O)CC3)cc2)CC1 ZINC000876965458 597400186 /nfs/dbraw/zinc/40/01/86/597400186.db2.gz DEKMIDKLCVMWEU-UHFFFAOYSA-N 2 0 347.503 1.584 20 10 EDCDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2c(cc1O)OCO2 ZINC000289491168 444157133 /nfs/dbraw/zinc/15/71/33/444157133.db2.gz RPCRUJLZCOYHKQ-INIZCTEOSA-N 2 0 349.475 1.969 20 10 EDCDRP COc1ccc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000289534852 444166645 /nfs/dbraw/zinc/16/66/45/444166645.db2.gz HVNATQJMELJYQY-MQVJKMGUSA-N 2 0 347.459 1.574 20 10 EDCDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000371332306 446782159 /nfs/dbraw/zinc/78/21/59/446782159.db2.gz OHZXQUGKOPDYTP-MRXNPFEDSA-N 2 0 347.459 1.721 20 10 EDCDRP COC(=O)C[C@]1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCOC1 ZINC000766469383 580167730 /nfs/dbraw/zinc/16/77/30/580167730.db2.gz OIQPPZROBBWZPV-LJQANCHMSA-N 2 0 347.459 1.250 20 10 EDCDRP COCCOC[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775725819 580398564 /nfs/dbraw/zinc/39/85/64/580398564.db2.gz QYCDVLXRALYYKH-LJQANCHMSA-N 2 0 347.503 1.923 20 10 EDCDRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1OC ZINC000775979238 580405610 /nfs/dbraw/zinc/40/56/10/580405610.db2.gz SVBCPWRPCUZSAZ-OTWHNJEPSA-N 2 0 333.476 1.720 20 10 EDCDRP C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000892098132 590798050 /nfs/dbraw/zinc/79/80/50/590798050.db2.gz XSNJUIGLEMZISL-DOTOQJQBSA-N 2 0 345.491 1.378 20 10 EDCDRP C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000892939767 591231626 /nfs/dbraw/zinc/23/16/26/591231626.db2.gz OFVBPBLKYXFLRS-HZPDHXFCSA-N 2 0 345.491 1.330 20 10 EDCDRP C[C@@H]1[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000896618678 591554044 /nfs/dbraw/zinc/55/40/44/591554044.db2.gz RBVIGKTVRSWHKJ-JLSDUUJJSA-N 2 0 347.507 1.747 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000817894776 593646220 /nfs/dbraw/zinc/64/62/20/593646220.db2.gz OFPUUTZSWRWUPI-PXNSSMCTSA-N 2 0 346.519 1.924 20 10 EDCDRP CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824709724 594060215 /nfs/dbraw/zinc/06/02/15/594060215.db2.gz SHKFDLGTBSIQGS-PKOBYXMFSA-N 2 0 333.476 1.580 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000841845980 594963731 /nfs/dbraw/zinc/96/37/31/594963731.db2.gz INQYGVBENMIXQC-RBUKOAKNSA-N 2 0 338.455 1.756 20 10 EDCDRP C[C@H]([NH3+])CNC(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000841866686 594968275 /nfs/dbraw/zinc/96/82/75/594968275.db2.gz NJJNLZXLIJKGFH-HNNXBMFYSA-N 2 0 345.491 1.365 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000843299564 595066925 /nfs/dbraw/zinc/06/69/25/595066925.db2.gz XXINPCSHKRSNMY-KGLIPLIRSA-N 2 0 326.391 1.113 20 10 EDCDRP O=C([C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)N1CC[NH2+]CC1 ZINC000843047540 595272609 /nfs/dbraw/zinc/27/26/09/595272609.db2.gz VLXPTKPFIXSIBC-CYBMUJFWSA-N 2 0 337.851 1.689 20 10 EDCDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843047409 595273183 /nfs/dbraw/zinc/27/31/83/595273183.db2.gz ULZSGJOCPYTHTH-GOSISDBHSA-N 2 0 344.503 1.705 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C[C@@H](C)[NH3+])CC2)cc1 ZINC000844190978 595298142 /nfs/dbraw/zinc/29/81/42/595298142.db2.gz HZAAPLHYGPJPFB-OAHLLOKOSA-N 2 0 334.464 1.061 20 10 EDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000844222331 595306599 /nfs/dbraw/zinc/30/65/99/595306599.db2.gz BGGBBYAWINFBEZ-JQHSSLGASA-N 2 0 330.476 1.428 20 10 EDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)Cn3cncn3)cc2F)CC1 ZINC000850433332 595832859 /nfs/dbraw/zinc/83/28/59/595832859.db2.gz LGUWECDOIMUVFQ-OAHLLOKOSA-N 2 0 346.454 1.737 20 10 EDCDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877525389 597530790 /nfs/dbraw/zinc/53/07/90/597530790.db2.gz BGHNAXDVLSJDAW-UHFFFAOYSA-N 2 0 348.535 1.573 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000881851122 597753710 /nfs/dbraw/zinc/75/37/10/597753710.db2.gz FBDANIBRTVLYRK-SFHVURJKSA-N 2 0 330.476 1.539 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[NH2+]3)cc2F)CC1 ZINC000070856528 441124028 /nfs/dbraw/zinc/12/40/28/441124028.db2.gz NCKLQVQXXIYHGB-MRXNPFEDSA-N 2 0 334.439 1.336 20 10 EDCDRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297972321 444373413 /nfs/dbraw/zinc/37/34/13/444373413.db2.gz ZXAOYQMQHZXHSW-HOTGVXAUSA-N 2 0 331.460 1.912 20 10 EDCDRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000756103992 579943562 /nfs/dbraw/zinc/94/35/62/579943562.db2.gz XRUFCIJKCVOCDI-QGPMSJSTSA-N 2 0 330.476 1.428 20 10 EDCDRP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C(N)=O)C1 ZINC000779200524 580480943 /nfs/dbraw/zinc/48/09/43/580480943.db2.gz IDXPSZVPJVGZAK-YJBOKZPZSA-N 2 0 330.476 1.524 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)C3CCOCC3)cc2)CC1 ZINC000782388966 580573679 /nfs/dbraw/zinc/57/36/79/580573679.db2.gz LJZMKGXNPADRNE-LJQANCHMSA-N 2 0 333.476 1.316 20 10 EDCDRP CN(C)c1ccc([C@H](CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000902519305 592009857 /nfs/dbraw/zinc/00/98/57/592009857.db2.gz YXQQHJVZARLQTP-UFYCRDLUSA-N 2 0 346.519 1.712 20 10 EDCDRP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])C2)cc1 ZINC000818615219 593708074 /nfs/dbraw/zinc/70/80/74/593708074.db2.gz NEUYOXITVWULOE-VVWQDTPRSA-N 2 0 333.476 1.863 20 10 EDCDRP C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000841846250 594963889 /nfs/dbraw/zinc/96/38/89/594963889.db2.gz NDLMJNCNKNALMY-UWWQBHOKSA-N 2 0 332.492 1.894 20 10 EDCDRP COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)C[NH+]3CCCC3)C2)cc1 ZINC000863557922 596618480 /nfs/dbraw/zinc/61/84/80/596618480.db2.gz SWBYWFQYRNCVFE-WMZOPIPTSA-N 2 0 333.476 1.568 20 10 EDCDRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000876779068 597338150 /nfs/dbraw/zinc/33/81/50/597338150.db2.gz VMUCIMRQAGZLNQ-DMGQIGSTSA-N 2 0 329.444 1.898 20 10 EDCDRP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289964 597701521 /nfs/dbraw/zinc/70/15/21/597701521.db2.gz GNKICBZSUNXMGZ-OAHLLOKOSA-N 2 0 339.505 1.351 20 10 EDCDRP C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000924009661 696984368 /nfs/dbraw/zinc/98/43/68/696984368.db2.gz YFPOLBQASUQTCP-CRAIPNDOSA-N 2 0 345.491 1.330 20 10 EDCDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000371332305 446783479 /nfs/dbraw/zinc/78/34/79/446783479.db2.gz OHZXQUGKOPDYTP-INIZCTEOSA-N 2 0 347.459 1.721 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC(=O)NC3(C)C)cc2)CC1 ZINC000801734624 581083558 /nfs/dbraw/zinc/08/35/58/581083558.db2.gz INOHPIPZFKAHGC-KRWDZBQOSA-N 2 0 330.476 1.585 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn4cccnc4n3)cc2)CC1 ZINC000895606888 591820623 /nfs/dbraw/zinc/82/06/23/591820623.db2.gz HJSSDTMRIAEEGA-UHFFFAOYSA-N 2 0 336.443 1.771 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C(C)(C)C[NH3+])cc2F)CC1 ZINC000828877079 594522537 /nfs/dbraw/zinc/52/25/37/594522537.db2.gz OKANLOUFLCYWFE-UHFFFAOYSA-N 2 0 336.455 1.569 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000841845840 594963949 /nfs/dbraw/zinc/96/39/49/594963949.db2.gz FXLSYBKMHRPTPI-NZZOQPFGSA-N 2 0 330.476 1.789 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCO[C@@H]3CC3(F)F)cc2)CC1 ZINC000850365780 595821160 /nfs/dbraw/zinc/82/11/60/595821160.db2.gz OPLRFAPIYMPXTH-MRXNPFEDSA-N 2 0 325.403 1.952 20 10 EDCDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000863642439 596641378 /nfs/dbraw/zinc/64/13/78/596641378.db2.gz OKZNSKVHRYWMSL-ZBFHGGJFSA-N 2 0 335.379 1.288 20 10 EDCDRP COC(=O)c1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c[nH]1 ZINC000883283363 597699810 /nfs/dbraw/zinc/69/98/10/597699810.db2.gz BYNIUDAVUZLXSD-UHFFFAOYSA-N 2 0 342.443 1.843 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[NH2+]3)cc2F)CC1 ZINC000236999777 249302046 /nfs/dbraw/zinc/30/20/46/249302046.db2.gz KDZCVHGVHATEHT-KRWDZBQOSA-N 2 0 348.466 1.726 20 10 EDCDRP CN(CC[N@H+](C)Cc1cc2c(cc1O)OCO2)C1CC[NH+](C)CC1 ZINC000289521571 444164133 /nfs/dbraw/zinc/16/41/33/444164133.db2.gz VJFLBXOECGYYPU-UHFFFAOYSA-N 2 0 335.448 1.579 20 10 EDCDRP CN(C)c1ccc(C[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000365834177 446361538 /nfs/dbraw/zinc/36/15/38/446361538.db2.gz BEHGSEZVHXVBFI-SFHVURJKSA-N 2 0 330.476 1.667 20 10 EDCDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000106854739 529151610 /nfs/dbraw/zinc/15/16/10/529151610.db2.gz UOAUEXJVEMYDES-OAHLLOKOSA-N 2 0 333.432 1.333 20 10 EDCDRP CCOc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(O)c1 ZINC000769162649 580230165 /nfs/dbraw/zinc/23/01/65/580230165.db2.gz XQMZKOLTIOAFQS-UHFFFAOYSA-N 2 0 349.475 1.681 20 10 EDCDRP CN(C)c1nccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000776497221 580418555 /nfs/dbraw/zinc/41/85/55/580418555.db2.gz RPPUKOCOKWOVFA-UHFFFAOYSA-N 2 0 340.475 1.584 20 10 EDCDRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892133922 590815873 /nfs/dbraw/zinc/81/58/73/590815873.db2.gz DISXXYKAEIKQDY-MRXNPFEDSA-N 2 0 347.507 1.755 20 10 EDCDRP COc1cc(C)cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000894254165 591249566 /nfs/dbraw/zinc/24/95/66/591249566.db2.gz LHAJEGKQHDYOPM-INIZCTEOSA-N 2 0 333.476 1.967 20 10 EDCDRP COc1ccc(N2CCN(CCC[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000817897537 593646599 /nfs/dbraw/zinc/64/65/99/593646599.db2.gz RRXFYZNXMIJDGF-SJORKVTESA-N 2 0 334.508 1.923 20 10 EDCDRP CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 ZINC000817941881 593650747 /nfs/dbraw/zinc/65/07/47/593650747.db2.gz LMVIFDQTNGSQNR-BRWVUGGUSA-N 2 0 339.505 1.698 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)cc2)CC1 ZINC000826845273 594587628 /nfs/dbraw/zinc/58/76/28/594587628.db2.gz IEXQUGPOYILDQB-SFHVURJKSA-N 2 0 340.475 1.552 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000841846101 594963698 /nfs/dbraw/zinc/96/36/98/594963698.db2.gz KFRMYFOHFPVQJC-KSZLIROESA-N 2 0 330.476 1.504 20 10 EDCDRP C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841846249 594963772 /nfs/dbraw/zinc/96/37/72/594963772.db2.gz NDLMJNCNKNALMY-QGPMSJSTSA-N 2 0 332.492 1.894 20 10 EDCDRP C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000841846247 594963778 /nfs/dbraw/zinc/96/37/78/594963778.db2.gz NDLMJNCNKNALMY-HFTRVMKXSA-N 2 0 332.492 1.894 20 10 EDCDRP CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1O ZINC000843047232 595272878 /nfs/dbraw/zinc/27/28/78/595272878.db2.gz OXHWBXVOWGDNIC-MRXNPFEDSA-N 2 0 347.459 1.435 20 10 EDCDRP COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1O ZINC000843046964 595273190 /nfs/dbraw/zinc/27/31/90/595273190.db2.gz JCVZJAWJWVDVBW-OAHLLOKOSA-N 2 0 333.432 1.045 20 10 EDCDRP CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000843048288 595273684 /nfs/dbraw/zinc/27/36/84/595273684.db2.gz XMGRQSLSSGZGLU-KRWDZBQOSA-N 2 0 332.492 1.820 20 10 EDCDRP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000844222931 595307335 /nfs/dbraw/zinc/30/73/35/595307335.db2.gz NNPAFYVMFLYPID-UHOSZYNNSA-N 2 0 344.503 1.770 20 10 EDCDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256974 596857462 /nfs/dbraw/zinc/85/74/62/596857462.db2.gz GUMSRFKFWSWCLJ-KURKYZTESA-N 2 0 344.459 1.428 20 10 EDCDRP COc1cccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1O ZINC000922389211 711435878 /nfs/dbraw/zinc/43/58/78/711435878.db2.gz SGRKMSKCKCACLR-VVWQDTPRSA-N 2 0 334.460 1.970 20 10 EDCDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc2c(cc1O)OCO2 ZINC000289380823 444124313 /nfs/dbraw/zinc/12/43/13/444124313.db2.gz BVPZCIUDKIQHJV-UHFFFAOYSA-N 2 0 337.464 1.826 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2F)CC1 ZINC000730286756 578639968 /nfs/dbraw/zinc/63/99/68/578639968.db2.gz XKXTUGPVXJMHRQ-INIZCTEOSA-N 2 0 348.466 1.536 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc2)CC1 ZINC000762788156 580083241 /nfs/dbraw/zinc/08/32/41/580083241.db2.gz VETFPJIBMWOUNJ-UHFFFAOYSA-N 2 0 339.505 1.351 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCN4C(=O)CC[C@H]4C3)cc2)CC1 ZINC000775667276 580396732 /nfs/dbraw/zinc/39/67/32/580396732.db2.gz HMEMDOOJTYIFIV-SFHVURJKSA-N 2 0 328.460 1.245 20 10 EDCDRP C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[NH2+]1 ZINC000892292993 590920290 /nfs/dbraw/zinc/92/02/90/590920290.db2.gz CSZWAMRXUSZHKG-WBVHZDCISA-N 2 0 345.491 1.378 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCNC(=O)CC3(C)C)cc2)CC1 ZINC000895400901 591745391 /nfs/dbraw/zinc/74/53/91/591745391.db2.gz ZMZQMZFDVKQAKB-UHFFFAOYSA-N 2 0 330.476 1.539 20 10 EDCDRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1O ZINC000840831502 594819298 /nfs/dbraw/zinc/81/92/98/594819298.db2.gz BBFVGNJZNJUIDI-INIZCTEOSA-N 2 0 333.476 1.839 20 10 EDCDRP CNC(=O)NC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000840974335 594834231 /nfs/dbraw/zinc/83/42/31/594834231.db2.gz GSWNEXUEJNHPKF-UHFFFAOYSA-N 2 0 345.491 1.332 20 10 EDCDRP COc1cc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)cc(OC)c1OC ZINC000843119102 595291424 /nfs/dbraw/zinc/29/14/24/595291424.db2.gz BXNZKCKUYVWNFF-UHFFFAOYSA-N 2 0 349.475 1.834 20 10 EDCDRP C[NH2+]CCC1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000844223347 595307736 /nfs/dbraw/zinc/30/77/36/595307736.db2.gz ZOBIYPLHGCMLOZ-UHFFFAOYSA-N 2 0 332.492 1.690 20 10 EDCDRP CCOc1cccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255424 596856633 /nfs/dbraw/zinc/85/66/33/596856633.db2.gz WQSPETCBHMDVCG-LZWOXQAQSA-N 2 0 347.415 1.158 20 10 EDCDRP C[NH+](C)C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1C[NH+](C)C ZINC000872638854 597004225 /nfs/dbraw/zinc/00/42/25/597004225.db2.gz MTSKYSDJWFBCOE-HUUCEWRRSA-N 2 0 335.448 1.292 20 10 EDCDRP COc1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(O)cc1C ZINC000872732595 597050747 /nfs/dbraw/zinc/05/07/47/597050747.db2.gz XXBCJEZKIUXXPC-UHFFFAOYSA-N 2 0 333.476 1.921 20 10 EDCDRP COC[C@]1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCCC[NH2+]1 ZINC000876506897 597224258 /nfs/dbraw/zinc/22/42/58/597224258.db2.gz QGAJONKHROAMDJ-WMZOPIPTSA-N 2 0 334.464 1.027 20 10 EDCDRP C[N@@H+]1CC[C@H]2CN(Cc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@H]21 ZINC000877743973 597552403 /nfs/dbraw/zinc/55/24/03/597552403.db2.gz ZCWQSBRKJTVODA-AZUAARDMSA-N 2 0 328.504 1.964 20 10 EDCDRP CN1CCN(C(=O)C2CC[NH+](Cc3cc(F)ccc3O)CC2)CC1 ZINC000289917362 444219058 /nfs/dbraw/zinc/21/90/58/444219058.db2.gz VLCWEXLGAGNROJ-UHFFFAOYSA-N 2 0 335.423 1.517 20 10 EDCDRP C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(F)cc1[O-] ZINC000359955407 445502922 /nfs/dbraw/zinc/50/29/22/445502922.db2.gz BRVXSGPYGNQBTG-ZBFHGGJFSA-N 2 0 337.439 1.588 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC4(CCOCC4)C3)cc2)CC1 ZINC000775736046 580399017 /nfs/dbraw/zinc/39/90/17/580399017.db2.gz JTTDZGJRAXVKHC-UHFFFAOYSA-N 2 0 345.487 1.820 20 10 EDCDRP COc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1OC ZINC000892948383 591236107 /nfs/dbraw/zinc/23/61/07/591236107.db2.gz QMIWBCGILQTKFM-HNNXBMFYSA-N 2 0 349.475 1.668 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000809742875 593357311 /nfs/dbraw/zinc/35/73/11/593357311.db2.gz HEZSIOKOXQAJOE-OAHLLOKOSA-N 2 0 331.382 1.841 20 10 EDCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1(CO)CCOCC1 ZINC000827907548 594301533 /nfs/dbraw/zinc/30/15/33/594301533.db2.gz BGEWUXZOOZLCSY-UHFFFAOYSA-N 2 0 333.476 1.412 20 10 EDCDRP Oc1ccc(Br)cc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000841030799 594841556 /nfs/dbraw/zinc/84/15/56/594841556.db2.gz VXZBVYQVCLVXDC-UHFFFAOYSA-N 2 0 328.254 1.540 20 10 EDCDRP COCC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC[NH2+]CC1 ZINC000841067784 594846802 /nfs/dbraw/zinc/84/68/02/594846802.db2.gz DLPOLEAUGRIRQM-UHFFFAOYSA-N 2 0 333.476 1.629 20 10 EDCDRP [NH3+]CCCOC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000843055974 595276283 /nfs/dbraw/zinc/27/62/83/595276283.db2.gz BDPQGSNSCGYTJD-UHFFFAOYSA-N 2 0 333.476 1.853 20 10 EDCDRP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000844222932 595307214 /nfs/dbraw/zinc/30/72/14/595307214.db2.gz NNPAFYVMFLYPID-WDSOQIARSA-N 2 0 344.503 1.770 20 10 EDCDRP CCOc1cccc(C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)c1O ZINC000853247060 595718876 /nfs/dbraw/zinc/71/88/76/595718876.db2.gz AWHCWJPKYSYGGX-UHFFFAOYSA-N 2 0 349.475 1.871 20 10 EDCDRP CCOc1ccc(O)c(C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)c1 ZINC000853247677 595719250 /nfs/dbraw/zinc/71/92/50/595719250.db2.gz XNHATRKHEVYYKN-UHFFFAOYSA-N 2 0 349.475 1.871 20 10 EDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCNC(=O)C3)cc2F)CC1 ZINC000877012075 597411049 /nfs/dbraw/zinc/41/10/49/597411049.db2.gz MMFRBCGYMCBLCB-MRXNPFEDSA-N 2 0 348.466 1.726 20 10 EDCDRP CN(C)c1ccc(C[N@H+](CCC(=O)N2CCN(C)CC2)C2CC2)cc1 ZINC000283442093 443634099 /nfs/dbraw/zinc/63/40/99/443634099.db2.gz GZKUPNKILOXWLI-UHFFFAOYSA-N 2 0 344.503 1.881 20 10 EDCDRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000368125266 446655318 /nfs/dbraw/zinc/65/53/18/446655318.db2.gz LRXCMVRDDMEGDQ-QAPCUYQASA-N 2 0 348.466 1.486 20 10 EDCDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768461842 580213710 /nfs/dbraw/zinc/21/37/10/580213710.db2.gz GCHUZXSDOVXQGL-HAYUQVRISA-N 2 0 348.443 1.502 20 10 EDCDRP COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000792200629 580813237 /nfs/dbraw/zinc/81/32/37/580813237.db2.gz JFPCOGJUGPDMGE-IRXDYDNUSA-N 2 0 331.460 1.870 20 10 EDCDRP COc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(O)c1OC ZINC000892115698 590807544 /nfs/dbraw/zinc/80/75/44/590807544.db2.gz RLRVIBRGULZPPV-CQSZACIVSA-N 2 0 336.432 1.564 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNc3cc[nH+]cc3CO)cc2F)CC1 ZINC000892402852 591012763 /nfs/dbraw/zinc/01/27/63/591012763.db2.gz SNHOXTAEKAHQGQ-UHFFFAOYSA-N 2 0 344.434 1.889 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC000892939419 591231538 /nfs/dbraw/zinc/23/15/38/591231538.db2.gz KKKVCSQQEYMCCN-IBGZPJMESA-N 2 0 345.491 1.319 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@@]34CCOC4)cc2)CC1 ZINC000903217780 592141337 /nfs/dbraw/zinc/14/13/37/592141337.db2.gz ZQUGCXQMIXLXEF-RTBURBONSA-N 2 0 331.460 1.476 20 10 EDCDRP Cc1sc(CN)nc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000911668277 592974297 /nfs/dbraw/zinc/97/42/97/592974297.db2.gz XOSAMKIXNVAMHK-ZDUSSCGKSA-N 2 0 333.461 1.406 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC[C@H](C(N)=O)CC3)cc2)CC1 ZINC000817410959 593603139 /nfs/dbraw/zinc/60/31/39/593603139.db2.gz KTYHFARYKOQVGK-SAABIXHNSA-N 2 0 344.503 1.820 20 10 EDCDRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)C1 ZINC000841104020 594851551 /nfs/dbraw/zinc/85/15/51/594851551.db2.gz MJTCBGJABQJJEE-ZBFHGGJFSA-N 2 0 334.416 1.839 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000841846708 594964209 /nfs/dbraw/zinc/96/42/09/594964209.db2.gz TUTDUKKOTNRVJC-PKOBYXMFSA-N 2 0 340.471 1.829 20 10 EDCDRP Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1O ZINC000843056930 595276474 /nfs/dbraw/zinc/27/64/74/595276474.db2.gz CMHCLHPOWTVGJW-WBVHZDCISA-N 2 0 331.460 1.781 20 10 EDCDRP CCOc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c(O)c1 ZINC000843122886 595292414 /nfs/dbraw/zinc/29/24/14/595292414.db2.gz WFNYNHLRWWTGNQ-HNNXBMFYSA-N 2 0 335.448 1.610 20 10 EDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000844225888 595309638 /nfs/dbraw/zinc/30/96/38/595309638.db2.gz WZOFPSBERDFDKW-MSOLQXFVSA-N 2 0 344.503 1.690 20 10 EDCDRP CN(C)c1cc(F)c(CN(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000862367351 596312482 /nfs/dbraw/zinc/31/24/82/596312482.db2.gz GAMBOIHLWOZKFE-UHFFFAOYSA-N 2 0 328.451 1.956 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C(N)=O)cc3)cc2)CC1 ZINC000883283918 597699649 /nfs/dbraw/zinc/69/96/49/597699649.db2.gz YSGXFDUGSMKBAE-UHFFFAOYSA-N 2 0 338.455 1.827 20 10 EDCDRP CC(C)[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000881851196 597754357 /nfs/dbraw/zinc/75/43/57/597754357.db2.gz POCWUMCDZGLMOI-SFHVURJKSA-N 2 0 332.492 1.641 20 10 EDCDRP Cc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(O)c1O ZINC000179495303 442465922 /nfs/dbraw/zinc/46/59/22/442465922.db2.gz OUYBXKNNOLSBRT-UHFFFAOYSA-N 2 0 337.464 1.752 20 10 EDCDRP C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(F)cc1[O-] ZINC000359955404 445503202 /nfs/dbraw/zinc/50/32/02/445503202.db2.gz BRVXSGPYGNQBTG-GDBMZVCRSA-N 2 0 337.439 1.588 20 10 EDCDRP COc1cc(C)cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000754732932 579910380 /nfs/dbraw/zinc/91/03/80/579910380.db2.gz XIBVCAXDEXMUKK-KRWDZBQOSA-N 2 0 333.476 1.921 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC(=O)NCCn2ccnc2)[NH+](C)C)cc1 ZINC000891558687 591125261 /nfs/dbraw/zinc/12/52/61/591125261.db2.gz VPXOEMGFBUOMEJ-QGZVFWFLSA-N 2 0 344.463 1.551 20 10 EDCDRP COc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c(O)c1OC ZINC000895437438 591757885 /nfs/dbraw/zinc/75/78/85/591757885.db2.gz VMHGEXBATZJRBB-HNNXBMFYSA-N 2 0 336.432 1.752 20 10 EDCDRP CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000897346024 591872065 /nfs/dbraw/zinc/87/20/65/591872065.db2.gz PZKSYVXATLNYPS-GOSISDBHSA-N 2 0 344.503 1.833 20 10 EDCDRP CN(C)c1ccc([C@H](CNC[C@@H](O)C[NH+]2CCCC2)[NH+](C)C)cc1 ZINC000905703319 592616067 /nfs/dbraw/zinc/61/60/67/592616067.db2.gz IHSKFGBMZJKBDS-MOPGFXCFSA-N 2 0 334.508 1.402 20 10 EDCDRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817891377 593645702 /nfs/dbraw/zinc/64/57/02/593645702.db2.gz BELNVGVQTUUOET-NVXWUHKLSA-N 2 0 337.489 1.138 20 10 EDCDRP CCS(=O)(=O)CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000840973716 594834459 /nfs/dbraw/zinc/83/44/59/594834459.db2.gz SXZKRWSDEJUZDA-UHFFFAOYSA-N 2 0 339.505 1.353 20 10 EDCDRP Cc1cc(Br)cc(C[NH2+]CCN2CC[NH2+]CC2)c1O ZINC000841041686 594843095 /nfs/dbraw/zinc/84/30/95/594843095.db2.gz FAJRLKYABDLBRG-UHFFFAOYSA-N 2 0 328.254 1.458 20 10 EDCDRP COc1cccc(O)c1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071440 594847703 /nfs/dbraw/zinc/84/77/03/594847703.db2.gz XHNLQBIVLMWAKC-AWEZNQCLSA-N 2 0 333.354 1.327 20 10 EDCDRP Oc1cc2c(cc1C[NH2+]C1CCC(N3CC[NH2+]CC3)CC1)OCO2 ZINC000841086658 594849064 /nfs/dbraw/zinc/84/90/64/594849064.db2.gz BXXTUXWMUFZALF-UHFFFAOYSA-N 2 0 333.432 1.427 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000841846696 594964032 /nfs/dbraw/zinc/96/40/32/594964032.db2.gz SKSHLRJAGSVMCW-DDBAPUKQSA-N 2 0 330.476 1.789 20 10 EDCDRP CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000844220535 595305733 /nfs/dbraw/zinc/30/57/33/595305733.db2.gz HFCHJNHMRYPEQN-UHFFFAOYSA-N 2 0 332.492 1.913 20 10 EDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000844224522 595308573 /nfs/dbraw/zinc/30/85/73/595308573.db2.gz GRMRUAYRWSBZDZ-IBGZPJMESA-N 2 0 344.503 1.833 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCN(C4CCC4)C3=O)cc2)CC1 ZINC000858342560 595769526 /nfs/dbraw/zinc/76/95/26/595769526.db2.gz NMFKDEUYLMOFRF-LJQANCHMSA-N 2 0 342.487 1.681 20 10 EDCDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(OC)c(OC)cc3O)C2)CC1 ZINC000160157450 441862395 /nfs/dbraw/zinc/86/23/95/441862395.db2.gz QCLMXLQDOVENOV-MRXNPFEDSA-N 2 0 349.475 1.621 20 10 EDCDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272407165 443616054 /nfs/dbraw/zinc/61/60/54/443616054.db2.gz INLZGYGLEYPQRM-CSKARUKUSA-N 2 0 349.475 1.843 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCN(C(N)=O)CC3)cc2)CC1 ZINC000775668751 580396760 /nfs/dbraw/zinc/39/67/60/580396760.db2.gz KFGNHXRIQSTPRF-UHFFFAOYSA-N 2 0 331.464 1.025 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000789767742 580753006 /nfs/dbraw/zinc/75/30/06/580753006.db2.gz JLGQBXLXIQPZTM-IBGZPJMESA-N 2 0 328.460 1.150 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000892088110 590791945 /nfs/dbraw/zinc/79/19/45/590791945.db2.gz HCVTZIUQVWDPJI-DLBZAZTESA-N 2 0 345.491 1.508 20 10 EDCDRP CC(C)S(=O)(=O)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809791192 593358893 /nfs/dbraw/zinc/35/88/93/593358893.db2.gz XGJYZYIBZFSNQU-UHFFFAOYSA-N 2 0 339.505 1.351 20 10 EDCDRP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])C2)cc1 ZINC000818615209 593708168 /nfs/dbraw/zinc/70/81/68/593708168.db2.gz NEUYOXITVWULOE-OHDICMOHSA-N 2 0 333.476 1.863 20 10 EDCDRP COC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819199953 593743884 /nfs/dbraw/zinc/74/38/84/593743884.db2.gz IGJWNKCPCZQBGS-IBGZPJMESA-N 2 0 333.476 1.316 20 10 EDCDRP COc1cc(O)c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1OC ZINC000827700670 594260327 /nfs/dbraw/zinc/26/03/27/594260327.db2.gz WQIISHYXAGHJSS-OAHLLOKOSA-N 2 0 336.432 1.440 20 10 EDCDRP CCOc1ccc(O)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000841069465 594847212 /nfs/dbraw/zinc/84/72/12/594847212.db2.gz AQHCKMPHWQGHIY-OAHLLOKOSA-N 2 0 347.381 1.717 20 10 EDCDRP COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862475674 596334373 /nfs/dbraw/zinc/33/43/73/596334373.db2.gz SQGACFMEZYLKJH-LJQANCHMSA-N 2 0 347.459 1.202 20 10 EDCDRP C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1=O)c1ccccc1O ZINC000378632911 447448098 /nfs/dbraw/zinc/44/80/98/447448098.db2.gz NHLGQAUEXICLPT-RDJZCZTQSA-N 2 0 347.459 1.366 20 10 EDCDRP COc1ccc(N2CCC([NH2+]C[C@H](C)N3CC[NH+](C)CC3)CC2)cc1 ZINC000127546246 534000243 /nfs/dbraw/zinc/00/02/43/534000243.db2.gz FUDRKQZQOVKMQV-KRWDZBQOSA-N 2 0 346.519 1.890 20 10 EDCDRP Oc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCOCC3)CC1)[C@H](O)CO2 ZINC000768440841 580212808 /nfs/dbraw/zinc/21/28/08/580212808.db2.gz ZSIDFNUHCBPRDA-GOSISDBHSA-N 2 0 348.443 1.362 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3(CCO)CCOCC3)cc2)CC1 ZINC000771843299 580296432 /nfs/dbraw/zinc/29/64/32/580296432.db2.gz NSSFZFZIYGQDRA-UHFFFAOYSA-N 2 0 333.476 1.460 20 10 EDCDRP COC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCO1 ZINC000788535108 580723998 /nfs/dbraw/zinc/72/39/98/580723998.db2.gz KAQFPZMQXDUYGM-RBUKOAKNSA-N 2 0 333.476 1.722 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCC3(O)CCOCC3)cc2)CC1 ZINC000796465677 580954568 /nfs/dbraw/zinc/95/45/68/580954568.db2.gz ISOQXQCWYNGAHG-UHFFFAOYSA-N 2 0 333.476 1.460 20 10 EDCDRP COc1ccc(N2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903732491 592287934 /nfs/dbraw/zinc/28/79/34/592287934.db2.gz FGRMDUGXVCNOER-OALUTQOASA-N 2 0 331.460 1.586 20 10 EDCDRP Cc1c(C[C@H](C[NH3+])CN2CCCc3cc(C[NH3+])ccc32)cnn1C ZINC000903874271 592355645 /nfs/dbraw/zinc/35/56/45/592355645.db2.gz WUMALDDKYJYFFL-MRXNPFEDSA-N 2 0 327.476 1.757 20 10 EDCDRP CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000841011291 594838627 /nfs/dbraw/zinc/83/86/27/594838627.db2.gz HJHCUGAKPPPXKL-INIZCTEOSA-N 3 0 348.491 1.261 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H](C)[NH3+])cc2F)CC1 ZINC000841793631 594954435 /nfs/dbraw/zinc/95/44/35/594954435.db2.gz RVQVOEMIAFKSCS-CYBMUJFWSA-N 2 0 337.443 1.114 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000841846789 594964428 /nfs/dbraw/zinc/96/44/28/594964428.db2.gz UZYMYBKDHKHRJA-ZWKOTPCHSA-N 2 0 326.444 1.439 20 10 EDCDRP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000843048089 595273537 /nfs/dbraw/zinc/27/35/37/595273537.db2.gz MNFWZCQXBBWWSR-MAVJXHJTSA-N 2 0 330.476 1.553 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2conc2C(C)(C)[NH3+])cc1 ZINC000848393100 595372960 /nfs/dbraw/zinc/37/29/60/595372960.db2.gz PUUIKZWTPVJTCW-CQSZACIVSA-N 2 0 331.420 1.364 20 10 EDCDRP C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)N1CC[NH+](C)CC1 ZINC000877022332 597414070 /nfs/dbraw/zinc/41/40/70/597414070.db2.gz KTAADWAHSOQGMQ-QGZVFWFLSA-N 2 0 346.519 1.373 20 10 EDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000373863011 250246786 /nfs/dbraw/zinc/24/67/86/250246786.db2.gz OHWPTEQGBWUSMX-DNVCBOLYSA-N 2 0 346.450 1.241 20 10 EDCDRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000271196924 443495067 /nfs/dbraw/zinc/49/50/67/443495067.db2.gz OWHYBPGYUBFWCU-UHFFFAOYSA-N 2 0 339.867 1.935 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000891972445 590716804 /nfs/dbraw/zinc/71/68/04/590716804.db2.gz HKRJLUVHSMKLTI-KRWDZBQOSA-N 2 0 345.491 1.380 20 10 EDCDRP C[NH+]1CCC(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000893328836 590783197 /nfs/dbraw/zinc/78/31/97/590783197.db2.gz NWJGNQJBCXHAGO-SFHVURJKSA-N 2 0 344.503 1.820 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC(=O)NC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000891525261 591106933 /nfs/dbraw/zinc/10/69/33/591106933.db2.gz UDZALPCAIRUHKL-GOSISDBHSA-N 2 0 347.507 1.749 20 10 EDCDRP Cc1ccc(C[NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)c(O)c1 ZINC000895686506 591248792 /nfs/dbraw/zinc/24/87/92/591248792.db2.gz SSBGDVJJILIBMO-GOSISDBHSA-N 2 0 333.476 1.587 20 10 EDCDRP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1CC[NH3+] ZINC000903497428 592188275 /nfs/dbraw/zinc/18/82/75/592188275.db2.gz WIWFFQSLEGLRLB-NVXWUHKLSA-N 2 0 332.492 1.628 20 10 EDCDRP C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825045256 594121094 /nfs/dbraw/zinc/12/10/94/594121094.db2.gz CRPAFFRLYBQLEP-INIZCTEOSA-N 2 0 327.476 1.893 20 10 EDCDRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)C1 ZINC000841104018 594851708 /nfs/dbraw/zinc/85/17/08/594851708.db2.gz MJTCBGJABQJJEE-HOCLYGCPSA-N 2 0 334.416 1.839 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000841845793 594963417 /nfs/dbraw/zinc/96/34/17/594963417.db2.gz DTLKJEZUJKLGIJ-MSOLQXFVSA-N 2 0 344.434 1.750 20 10 EDCDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256973 596857583 /nfs/dbraw/zinc/85/75/83/596857583.db2.gz GUMSRFKFWSWCLJ-KSZLIROESA-N 2 0 344.459 1.428 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000269315985 443278550 /nfs/dbraw/zinc/27/85/50/443278550.db2.gz ZEYAXORLKYRESV-JKSUJKDBSA-N 2 0 348.466 1.711 20 10 EDCDRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC[C@H](C[NH3+])c4ccccc43)c21 ZINC000602624336 449712923 /nfs/dbraw/zinc/71/29/23/449712923.db2.gz UXXNPHMCWTVLPB-ZIAGYGMSSA-N 2 0 339.443 1.812 20 10 EDCDRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1OC ZINC000775979236 580405683 /nfs/dbraw/zinc/40/56/83/580405683.db2.gz SVBCPWRPCUZSAZ-GUDVDZBRSA-N 2 0 333.476 1.720 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC(=O)C23CC[NH+](CC2)C3)[NH+](C)C)cc1 ZINC000891246840 591015845 /nfs/dbraw/zinc/01/58/45/591015845.db2.gz QGFWQMBRFRHXRA-QGZVFWFLSA-N 2 0 330.476 1.567 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+]C3CCC(C[NH3+])CC3)CC2)cc1 ZINC000817894544 593646399 /nfs/dbraw/zinc/64/63/99/593646399.db2.gz MCJOCKHPTMHRQI-UHFFFAOYSA-N 2 0 346.519 1.924 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[NH2+][C@H]3C)cc2F)CC1 ZINC000828883877 594524174 /nfs/dbraw/zinc/52/41/74/594524174.db2.gz UBSABIQIFSSETO-HOCLYGCPSA-N 2 0 348.466 1.582 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](N4CCOC4=O)C3)cc2)CC1 ZINC000826999715 594620329 /nfs/dbraw/zinc/62/03/29/594620329.db2.gz ACTGIOZMUBQNPD-GOSISDBHSA-N 2 0 344.459 1.465 20 10 EDCDRP COc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)cc1 ZINC000849350826 595509678 /nfs/dbraw/zinc/50/96/78/595509678.db2.gz XPYYKQRBXJBTNN-HOTGVXAUSA-N 2 0 346.475 1.061 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000883380082 597728616 /nfs/dbraw/zinc/72/86/16/597728616.db2.gz ZAWOYFQULLTRPR-JCNLHEQBSA-N 2 0 337.489 1.104 20 10 EDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)CC(=O)NC)cc2F)CC1 ZINC000268927261 443149710 /nfs/dbraw/zinc/14/97/10/443149710.db2.gz YLRCUIVYLQKORA-CQSZACIVSA-N 2 0 336.455 1.582 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)[C@@H](C)[NH3+])cc2F)CC1 ZINC000277120388 443916311 /nfs/dbraw/zinc/91/63/11/443916311.db2.gz WSDPEQWUAHOFLV-ZIAGYGMSSA-N 2 0 336.455 1.567 20 10 EDCDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)CC1 ZINC000768464553 580214030 /nfs/dbraw/zinc/21/40/30/580214030.db2.gz BFHRJQOJJZYWIG-RDTXWAMCSA-N 2 0 332.444 1.982 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC(=O)NCc3ccco3)cc2)CC1 ZINC000771824181 580295743 /nfs/dbraw/zinc/29/57/43/580295743.db2.gz TZZDNQAZZWTDFU-UHFFFAOYSA-N 2 0 342.443 1.437 20 10 EDCDRP C[NH+](C)CCOCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000779431770 580485478 /nfs/dbraw/zinc/48/54/78/580485478.db2.gz DQQSEVCRWKIKMW-UHFFFAOYSA-N 2 0 325.428 1.330 20 10 EDCDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@]2(CCOC2)O1 ZINC000793361280 580842845 /nfs/dbraw/zinc/84/28/45/580842845.db2.gz GNYKGFRFBQQTSE-XLIONFOSSA-N 2 0 345.487 1.818 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](C4OCCO4)C3)cc2)CC1 ZINC000896386734 591446724 /nfs/dbraw/zinc/44/67/24/591446724.db2.gz NZRJVTJTTVMMFR-KRWDZBQOSA-N 2 0 331.460 1.633 20 10 EDCDRP CN(C)c1ccc([C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[NH+](C)C)cc1 ZINC000902519311 592009931 /nfs/dbraw/zinc/00/99/31/592009931.db2.gz YXRYAHYMLOEJLC-DISKZWMNSA-N 2 0 328.504 1.941 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNCc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903917978 592389928 /nfs/dbraw/zinc/38/99/28/592389928.db2.gz PMKAGRLCIGQFGD-SJLPKXTDSA-N 2 0 343.479 1.058 20 10 EDCDRP CCCCOC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905427869 592532235 /nfs/dbraw/zinc/53/22/35/592532235.db2.gz OORSCVLQKSVKCD-LJQANCHMSA-N 2 0 335.492 1.706 20 10 EDCDRP CN(C)c1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000103174081 593208616 /nfs/dbraw/zinc/20/86/16/593208616.db2.gz OVBNLGKLQRCFFH-UHFFFAOYSA-N 2 0 335.496 1.387 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)CC3([NH3+])CC3)cc2F)CC1 ZINC000852872382 595591510 /nfs/dbraw/zinc/59/15/10/595591510.db2.gz FOHRIKKOHLQNIJ-UHFFFAOYSA-N 2 0 334.439 1.465 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000852873362 595592256 /nfs/dbraw/zinc/59/22/56/595592256.db2.gz TWWORGCYFMKLOF-WKILWMFISA-N 2 0 346.475 1.061 20 10 EDCDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230256 596008735 /nfs/dbraw/zinc/00/87/35/596008735.db2.gz KZMCUUFNRJMSFG-JVPBZIDWSA-N 2 0 333.476 1.490 20 10 EDCDRP COc1ccc(N2CCC([NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)CC2)cc1 ZINC000854231313 596009692 /nfs/dbraw/zinc/00/96/92/596009692.db2.gz JHMZDRXJYMGWIA-UHFFFAOYSA-N 2 0 343.431 1.408 20 10 EDCDRP COC[C@@]1(C)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000862550555 596344626 /nfs/dbraw/zinc/34/46/26/596344626.db2.gz FKQHRAIPJDUGAO-LJQANCHMSA-N 2 0 333.476 1.676 20 10 EDCDRP C[NH2+]CCCC(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000237161574 249302275 /nfs/dbraw/zinc/30/22/75/249302275.db2.gz BLBUPDVATOYQHW-UHFFFAOYSA-N 2 0 348.491 1.323 20 10 EDCDRP CC[C@H](CO)[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775723544 580398519 /nfs/dbraw/zinc/39/85/19/580398519.db2.gz BFYCNLRTDNPPBN-LJQANCHMSA-N 2 0 346.519 1.327 20 10 EDCDRP CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000797605949 580978142 /nfs/dbraw/zinc/97/81/42/580978142.db2.gz WJZIEPYUGMHNNH-IBGZPJMESA-N 2 0 330.476 1.396 20 10 EDCDRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892079510 590788149 /nfs/dbraw/zinc/78/81/49/590788149.db2.gz IJIQLALVJQHQDT-CRAIPNDOSA-N 2 0 345.491 1.236 20 10 EDCDRP CN(C)c1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000840954534 591026661 /nfs/dbraw/zinc/02/66/61/591026661.db2.gz GHPOFMIWHVLOSL-UHFFFAOYSA-N 2 0 346.519 1.639 20 10 EDCDRP CN(C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC([NH3+])C1 ZINC000892939130 591230976 /nfs/dbraw/zinc/23/09/76/591230976.db2.gz HQLIFFYLFFLYRF-UHFFFAOYSA-N 2 0 331.464 1.070 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)C[C@](C)(O)C3CC3)cc2)CC1 ZINC000905427247 592531486 /nfs/dbraw/zinc/53/14/86/592531486.db2.gz MGLLZHYYGXQEAZ-UXHICEINSA-N 2 0 347.503 1.440 20 10 EDCDRP COc1c(O)c(CN(CC[NH+](C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000809741291 593357443 /nfs/dbraw/zinc/35/74/43/593357443.db2.gz LZGVOEAJLHRTPV-UHFFFAOYSA-N 2 0 340.424 1.234 20 10 EDCDRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934170 593649975 /nfs/dbraw/zinc/64/99/75/593649975.db2.gz BYNDMLNVEDXEQO-AWEZNQCLSA-N 2 0 343.418 1.645 20 10 EDCDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841070723 594847284 /nfs/dbraw/zinc/84/72/84/594847284.db2.gz RWUMLWGZLVLLHE-INIZCTEOSA-N 2 0 344.425 1.987 20 10 EDCDRP CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000844192340 595298323 /nfs/dbraw/zinc/29/83/23/595298323.db2.gz MAFZISRAMIYFNF-QGZVFWFLSA-N 2 0 334.464 1.061 20 10 EDCDRP [NH3+]Cc1ccc2c(c1)CCCN2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000844218501 595305030 /nfs/dbraw/zinc/30/50/30/595305030.db2.gz BDJUWEZIFCNWPF-UHFFFAOYSA-N 2 0 342.487 1.641 20 10 EDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000237831907 443183491 /nfs/dbraw/zinc/18/34/91/443183491.db2.gz CMKOBCQTDRVRFJ-OAHLLOKOSA-N 2 0 346.450 1.241 20 10 EDCDRP COc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000370697977 446392435 /nfs/dbraw/zinc/39/24/35/446392435.db2.gz MJIZXFDHZCTSBH-NVXWUHKLSA-N 2 0 333.476 1.859 20 10 EDCDRP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000756550384 579952263 /nfs/dbraw/zinc/95/22/63/579952263.db2.gz REBVFFMTXPYFCO-KGLIPLIRSA-N 2 0 335.448 1.639 20 10 EDCDRP COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000792200634 580813247 /nfs/dbraw/zinc/81/32/47/580813247.db2.gz JFPCOGJUGPDMGE-SJORKVTESA-N 2 0 331.460 1.870 20 10 EDCDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000817888910 593645613 /nfs/dbraw/zinc/64/56/13/593645613.db2.gz LEKZWSIWFIHIFM-DOTOQJQBSA-N 2 0 332.492 1.995 20 10 EDCDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CSC)cc2F)CC1 ZINC000819033879 593734951 /nfs/dbraw/zinc/73/49/51/593734951.db2.gz TVQBTEJDCOFISK-HNNXBMFYSA-N 2 0 341.496 1.781 20 10 EDCDRP COC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819199954 593743998 /nfs/dbraw/zinc/74/39/98/593743998.db2.gz IGJWNKCPCZQBGS-LJQANCHMSA-N 2 0 333.476 1.316 20 10 EDCDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841070724 594847129 /nfs/dbraw/zinc/84/71/29/594847129.db2.gz RWUMLWGZLVLLHE-MRXNPFEDSA-N 2 0 344.425 1.987 20 10 EDCDRP C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000841846248 594963768 /nfs/dbraw/zinc/96/37/68/594963768.db2.gz NDLMJNCNKNALMY-KYJSFNMBSA-N 2 0 332.492 1.894 20 10 EDCDRP Cc1cnc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000835062782 595256070 /nfs/dbraw/zinc/25/60/70/595256070.db2.gz XFXUOAVRYPBUMN-UHFFFAOYSA-N 2 0 325.460 1.869 20 10 EDCDRP COc1cc(O)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1OC ZINC000843125594 595292946 /nfs/dbraw/zinc/29/29/46/595292946.db2.gz YIHOLDDZZFPNCP-KDOFPFPSSA-N 2 0 336.432 1.738 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000844191927 595298667 /nfs/dbraw/zinc/29/86/67/595298667.db2.gz TWWORGCYFMKLOF-IYBDPMFKSA-N 2 0 346.475 1.061 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2conc2C(C)(C)[NH3+])cc1 ZINC000848393099 595372971 /nfs/dbraw/zinc/37/29/71/595372971.db2.gz PUUIKZWTPVJTCW-AWEZNQCLSA-N 2 0 331.420 1.364 20 10 EDCDRP Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000848566271 595405886 /nfs/dbraw/zinc/40/58/86/595405886.db2.gz TYHGXGRNXPQVBP-INIZCTEOSA-N 2 0 340.475 1.214 20 10 EDCDRP Cc1cncc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000850390855 595825746 /nfs/dbraw/zinc/82/57/46/595825746.db2.gz VQERPQCDICERHQ-UHFFFAOYSA-N 2 0 325.460 1.869 20 10 EDCDRP Oc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852742534 596237161 /nfs/dbraw/zinc/23/71/61/596237161.db2.gz JPSLKCRYZWWRJZ-IRXDYDNUSA-N 2 0 332.444 1.894 20 10 EDCDRP C[NH+]1CCN(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)CC1 ZINC000872732494 597050519 /nfs/dbraw/zinc/05/05/19/597050519.db2.gz VNBMPUUPNBQLBJ-UHFFFAOYSA-N 2 0 333.432 1.333 20 10 EDCDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851442 597754445 /nfs/dbraw/zinc/75/44/45/597754445.db2.gz KEGBXMCISJNVKL-LJQANCHMSA-N 2 0 344.503 1.929 20 10 EDCDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851439 597754705 /nfs/dbraw/zinc/75/47/05/597754705.db2.gz KEGBXMCISJNVKL-IBGZPJMESA-N 2 0 344.503 1.929 20 10 EDCDRP CCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000269240714 249377891 /nfs/dbraw/zinc/37/78/91/249377891.db2.gz BEEBGXRPGWNSCD-GOSISDBHSA-N 2 0 348.491 1.451 20 10 EDCDRP COc1c([O-])c(C[NH2+][C@H]2CCc3nc(C)cn3C2)ccc1[N+](=O)[O-] ZINC000365803219 446349224 /nfs/dbraw/zinc/34/92/24/446349224.db2.gz AFTWZTLQCIEVKV-LBPRGKRZSA-N 2 0 332.360 1.919 20 10 EDCDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)CC1 ZINC000768464551 580213976 /nfs/dbraw/zinc/21/39/76/580213976.db2.gz BFHRJQOJJZYWIG-KSSFIOAISA-N 2 0 332.444 1.982 20 10 EDCDRP CN(C)C(=O)NCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779432547 580485549 /nfs/dbraw/zinc/48/55/49/580485549.db2.gz USSJJPUVWINHEV-UHFFFAOYSA-N 2 0 333.480 1.141 20 10 EDCDRP CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892040340 590766709 /nfs/dbraw/zinc/76/67/09/590766709.db2.gz KRWWAOCUXJEVCB-KRWDZBQOSA-N 2 0 347.507 1.755 20 10 EDCDRP COc1ccc(N(C)CC[N@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903768665 592309943 /nfs/dbraw/zinc/30/99/43/592309943.db2.gz OSDQPHPSZIKGBA-MOPGFXCFSA-N 2 0 333.476 1.832 20 10 EDCDRP COc1cccc(O)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980256 592400813 /nfs/dbraw/zinc/40/08/13/592400813.db2.gz MACAUTBZJBIAPH-IYBDPMFKSA-N 2 0 331.460 1.801 20 10 EDCDRP CCN(CC)c1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000818965151 593730758 /nfs/dbraw/zinc/73/07/58/593730758.db2.gz QDBXTFCEPZDAAV-IBGZPJMESA-N 2 0 334.508 1.231 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)C(C)(C)C[NH3+])CC2)cc1 ZINC000844190652 595297986 /nfs/dbraw/zinc/29/79/86/595297986.db2.gz FIFNNKNBHSEPLT-UHFFFAOYSA-N 2 0 348.491 1.308 20 10 EDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000844226048 595309629 /nfs/dbraw/zinc/30/96/29/595309629.db2.gz ZPCKDWIOKDJRSF-GOSISDBHSA-N 2 0 344.503 1.690 20 10 EDCDRP COc1cc(O)c(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1OC ZINC000872732386 597050602 /nfs/dbraw/zinc/05/06/02/597050602.db2.gz VGHYGQHIGXNRFW-UHFFFAOYSA-N 2 0 349.475 1.621 20 10 EDCDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000076893919 441692703 /nfs/dbraw/zinc/69/27/03/441692703.db2.gz SODJZJYJEHUAKE-UHFFFAOYSA-N 2 0 327.428 1.973 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)[C@H](C)[NH3+])cc2F)CC1 ZINC000277120376 443916413 /nfs/dbraw/zinc/91/64/13/443916413.db2.gz WSDPEQWUAHOFLV-KGLIPLIRSA-N 2 0 336.455 1.567 20 10 EDCDRP CC[C@]1(C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)CC[NH2+]C1 ZINC000360467530 445709602 /nfs/dbraw/zinc/70/96/02/445709602.db2.gz RTFQOFFVULVGLP-SFHVURJKSA-N 2 0 334.439 1.241 20 10 EDCDRP C[NH+](C)CCN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592955541 449075608 /nfs/dbraw/zinc/07/56/08/449075608.db2.gz AIYROBLNWDJCFU-HNNXBMFYSA-N 2 0 341.459 1.928 20 10 EDCDRP CCOC(=O)C1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000770665514 580267062 /nfs/dbraw/zinc/26/70/62/580267062.db2.gz LFOQWOYBTGGCJR-UHFFFAOYSA-N 2 0 331.460 1.871 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCCCCCC[NH3+])cc2)CC1 ZINC000892212068 590867029 /nfs/dbraw/zinc/86/70/29/590867029.db2.gz PNNLCNVASLJEFP-UHFFFAOYSA-N 2 0 347.507 1.757 20 10 EDCDRP CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000892330778 590955930 /nfs/dbraw/zinc/95/59/30/590955930.db2.gz NELAJJCYQQKZFG-MSOLQXFVSA-N 2 0 347.507 1.749 20 10 EDCDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902517412 592009129 /nfs/dbraw/zinc/00/91/29/592009129.db2.gz LTSSPCOGLWQQFJ-WQANXHIZSA-N 2 0 334.508 1.697 20 10 EDCDRP FC(F)(F)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CC[NH2+]CC1 ZINC000904354573 592237745 /nfs/dbraw/zinc/23/77/45/592237745.db2.gz DDSZCIPMTAEAHR-INIZCTEOSA-N 2 0 343.393 1.937 20 10 EDCDRP COc1ccc(N2CCC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903736028 592298747 /nfs/dbraw/zinc/29/87/47/592298747.db2.gz FZKLYWWKLFKFTP-WOJBJXKFSA-N 2 0 345.487 1.976 20 10 EDCDRP CN(CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1)CC[NH+](C)C ZINC000809788114 593358963 /nfs/dbraw/zinc/35/89/63/593358963.db2.gz NMRVUXDMFPIVJL-UHFFFAOYSA-N 2 0 348.535 1.839 20 10 EDCDRP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1O ZINC000817945593 593651044 /nfs/dbraw/zinc/65/10/44/593651044.db2.gz HNQOCJZTHOHAJA-CYBMUJFWSA-N 2 0 345.365 1.884 20 10 EDCDRP Cc1cc(Br)cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1O ZINC000841087945 594849579 /nfs/dbraw/zinc/84/95/79/594849579.db2.gz YACQQDCUKGFZHL-CYBMUJFWSA-N 2 0 329.238 1.931 20 10 EDCDRP COc1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)cc1 ZINC000849350827 595509684 /nfs/dbraw/zinc/50/96/84/595509684.db2.gz XPYYKQRBXJBTNN-HZPDHXFCSA-N 2 0 346.475 1.061 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000852791753 595545057 /nfs/dbraw/zinc/54/50/57/595545057.db2.gz LTIZTINOQFOFQQ-HIFRSBDPSA-N 2 0 344.381 1.411 20 10 EDCDRP CN(CCC[NH2+]Cc1ccc(N2CCOCC2)cc1)CC[NH+](C)C ZINC000857784339 595611453 /nfs/dbraw/zinc/61/14/53/595611453.db2.gz XCSAZGVNQNDECT-UHFFFAOYSA-N 2 0 334.508 1.496 20 10 EDCDRP C[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)N1CC[NH+](C)CC1 ZINC000858127334 595706997 /nfs/dbraw/zinc/70/69/97/595706997.db2.gz YKQLBTLRGFXOOQ-ZDUSSCGKSA-N 2 0 326.435 1.756 20 10 EDCDRP COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862475673 596334897 /nfs/dbraw/zinc/33/48/97/596334897.db2.gz SQGACFMEZYLKJH-IBGZPJMESA-N 2 0 347.459 1.202 20 10 EDCDRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000863547163 596614542 /nfs/dbraw/zinc/61/45/42/596614542.db2.gz PSDVHXLKTCWNSU-AWEZNQCLSA-N 2 0 325.428 1.678 20 10 EDCDRP COC[C@@]1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCCC[NH2+]1 ZINC000876506895 597224321 /nfs/dbraw/zinc/22/43/21/597224321.db2.gz QGAJONKHROAMDJ-FUHWJXTLSA-N 2 0 334.464 1.027 20 10 EDCDRP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883204744 597685308 /nfs/dbraw/zinc/68/53/08/597685308.db2.gz HGAVPOREBNUJTO-SFHVURJKSA-N 2 0 345.491 1.332 20 10 EDCDRP CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000922592208 704103472 /nfs/dbraw/zinc/10/34/72/704103472.db2.gz NQVOLIVGIPBWMH-IBGZPJMESA-N 2 0 346.519 1.639 20 10 EDCDRP CCOCC[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775647894 580396208 /nfs/dbraw/zinc/39/62/08/580396208.db2.gz GSXLNCAJYPJQGB-UHFFFAOYSA-N 2 0 346.519 1.593 20 10 EDCDRP CC(=O)N(C)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775664916 580396699 /nfs/dbraw/zinc/39/66/99/580396699.db2.gz REAAOTHIVWBZHQ-UHFFFAOYSA-N 2 0 344.503 1.881 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)C3CCOCC3)cc2)CC1 ZINC000782388963 580573677 /nfs/dbraw/zinc/57/36/77/580573677.db2.gz LJZMKGXNPADRNE-IBGZPJMESA-N 2 0 333.476 1.316 20 10 EDCDRP COC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C)O1 ZINC000784668630 580625854 /nfs/dbraw/zinc/62/58/54/580625854.db2.gz SFKUEZGISDHFKP-VQIMIIECSA-N 2 0 333.476 1.674 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)cc2)CC1 ZINC000787423446 580695133 /nfs/dbraw/zinc/69/51/33/580695133.db2.gz NEOKVHKLRSNUFT-UHOSZYNNSA-N 2 0 342.487 1.524 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000892081617 590789686 /nfs/dbraw/zinc/78/96/86/590789686.db2.gz CGEIMWIHTFGWMZ-KRWDZBQOSA-N 2 0 345.491 1.380 20 10 EDCDRP CC[N@H+](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000891252333 591020717 /nfs/dbraw/zinc/02/07/17/591020717.db2.gz JNOAHHPHKMKACP-SFHVURJKSA-N 2 0 332.492 1.956 20 10 EDCDRP C[C@H](CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[NH+](C)C ZINC000899097997 591677306 /nfs/dbraw/zinc/67/73/06/591677306.db2.gz KAUAUTRGJCGWMP-QAPCUYQASA-N 2 0 349.523 1.995 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000841846788 594964259 /nfs/dbraw/zinc/96/42/59/594964259.db2.gz UZYMYBKDHKHRJA-ROUUACIJSA-N 2 0 326.444 1.439 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]4CCCCN4C3=O)cc2)CC1 ZINC000835074687 595257212 /nfs/dbraw/zinc/25/72/12/595257212.db2.gz SQDOWBNPSAGYPP-RTBURBONSA-N 2 0 342.487 1.681 20 10 EDCDRP O=C([C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)N1CC[NH2+]CC1 ZINC000843047541 595273038 /nfs/dbraw/zinc/27/30/38/595273038.db2.gz VLXPTKPFIXSIBC-ZDUSSCGKSA-N 2 0 337.851 1.689 20 10 EDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000844226049 595309685 /nfs/dbraw/zinc/30/96/85/595309685.db2.gz ZPCKDWIOKDJRSF-SFHVURJKSA-N 2 0 344.503 1.690 20 10 EDCDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000185867855 700154030 /nfs/dbraw/zinc/15/40/30/700154030.db2.gz IRYPLAKFUMBTCC-SFHVURJKSA-N 2 0 346.519 1.639 20 10 EDCDRP COc1ccc(N2CCC([NH2+]CCCN3CC[NH+](C)CC3)CC2)cc1 ZINC000162521595 442100331 /nfs/dbraw/zinc/10/03/31/442100331.db2.gz HGQOQMLECXBUTG-UHFFFAOYSA-N 2 0 346.519 1.891 20 10 EDCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)N1CCCC1 ZINC000798501796 580999335 /nfs/dbraw/zinc/99/93/35/580999335.db2.gz OJUMZNAEIPJJBY-INIZCTEOSA-N 2 0 330.476 1.539 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC(=O)C2([NH+](C)C)CCC2)[NH+](C)C)cc1 ZINC000891248449 591017133 /nfs/dbraw/zinc/01/71/33/591017133.db2.gz LVPLGKKAUCMDCE-QGZVFWFLSA-N 2 0 332.492 1.956 20 10 EDCDRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000892938649 591231137 /nfs/dbraw/zinc/23/11/37/591231137.db2.gz BUPUVVWRSHRRGA-RDJZCZTQSA-N 2 0 345.491 1.317 20 10 EDCDRP CCOc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c(O)c1 ZINC000816619965 593535441 /nfs/dbraw/zinc/53/54/41/593535441.db2.gz CIMPXEOWYBYXTM-UHFFFAOYSA-N 2 0 349.475 1.873 20 10 EDCDRP COCC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCOCC1 ZINC000813781211 593555063 /nfs/dbraw/zinc/55/50/63/593555063.db2.gz MKKGNUBBQFGJGA-UHFFFAOYSA-N 2 0 347.503 1.971 20 10 EDCDRP CC(C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCC(=O)N1 ZINC000840975353 594834372 /nfs/dbraw/zinc/83/43/72/594834372.db2.gz GIGCNNDPZRLBAI-GOSISDBHSA-N 2 0 344.503 1.927 20 10 EDCDRP COc1cccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1O ZINC000841071109 594847680 /nfs/dbraw/zinc/84/76/80/594847680.db2.gz VJSBGFUUZYUOHC-ZDUSSCGKSA-N 2 0 333.354 1.327 20 10 EDCDRP CCOc1cccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000841099548 594850941 /nfs/dbraw/zinc/85/09/41/594850941.db2.gz LSVHYHTVZOFHKW-HNNXBMFYSA-N 2 0 331.420 1.678 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000841846787 594964344 /nfs/dbraw/zinc/96/43/44/594964344.db2.gz UZYMYBKDHKHRJA-QZTJIDSGSA-N 2 0 326.444 1.439 20 10 EDCDRP CCN1C[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000846090519 595140529 /nfs/dbraw/zinc/14/05/29/595140529.db2.gz BSOIGIVDOBZIHB-KRWDZBQOSA-N 2 0 330.476 1.396 20 10 EDCDRP O=C([C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)N1CC[NH2+]CC1 ZINC000843046967 595273114 /nfs/dbraw/zinc/27/31/14/595273114.db2.gz JKGJLOMAFGFQLV-CYBMUJFWSA-N 2 0 337.851 1.689 20 10 EDCDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000854230255 596008712 /nfs/dbraw/zinc/00/87/12/596008712.db2.gz KZMCUUFNRJMSFG-GDIGMMSISA-N 2 0 333.476 1.490 20 10 EDCDRP COC[C@]1(C)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000862550554 596344823 /nfs/dbraw/zinc/34/48/23/596344823.db2.gz FKQHRAIPJDUGAO-IBGZPJMESA-N 2 0 333.476 1.676 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4OC[C@H]5C[C@H]3C[C@H]45)cc2)CC1 ZINC000865692290 596651831 /nfs/dbraw/zinc/65/18/31/596651831.db2.gz BDVACFOYINTPFR-KRFUXDQASA-N 2 0 327.472 1.951 20 10 EDCDRP CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000877676246 597546851 /nfs/dbraw/zinc/54/68/51/597546851.db2.gz ZLZGNHKSKOGEEL-HXUWFJFHSA-N 2 0 344.503 1.929 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CC[C@H](C)[NH3+])CC2)cc1 ZINC000277426584 443986596 /nfs/dbraw/zinc/98/65/96/443986596.db2.gz BPFXEXBSEBMXKV-INIZCTEOSA-N 2 0 348.491 1.451 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCO[C@]4(CCOC4)C3)cc2)CC1 ZINC000771873219 580297291 /nfs/dbraw/zinc/29/72/91/580297291.db2.gz VEDPTADLYPSGGV-AZUAARDMSA-N 2 0 345.487 1.866 20 10 EDCDRP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648848 580396295 /nfs/dbraw/zinc/39/62/95/580396295.db2.gz GRBJSWKBZKLUHE-NVXWUHKLSA-N 2 0 330.476 1.524 20 10 EDCDRP Cc1cccc(O)c1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000895686486 591248910 /nfs/dbraw/zinc/24/89/10/591248910.db2.gz SJKIJCOQVFTFLU-QGZVFWFLSA-N 2 0 333.476 1.587 20 10 EDCDRP CN(C)c1ccc([C@H](C[NH2+][C@@H]2[C@@H]3COC[C@H]2C[C@H]([NH3+])C3)N(C)C)cc1 ZINC000902516811 592009104 /nfs/dbraw/zinc/00/91/04/592009104.db2.gz GXMQFQKWJGACSL-WUOIFLIFSA-N 2 0 346.519 1.697 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@]34CCOC4)cc2)CC1 ZINC000903217777 592141302 /nfs/dbraw/zinc/14/13/02/592141302.db2.gz ZQUGCXQMIXLXEF-MOPGFXCFSA-N 2 0 331.460 1.476 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C3(O)CCCC3)cc2)CC1 ZINC000905426233 592531674 /nfs/dbraw/zinc/53/16/74/592531674.db2.gz GCHOZJJLSPKMGA-GOSISDBHSA-N 2 0 333.476 1.194 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc2)CC1 ZINC000905428496 592532251 /nfs/dbraw/zinc/53/22/51/592532251.db2.gz UZABNJJPPOLEEM-HNNXBMFYSA-N 2 0 331.382 1.841 20 10 EDCDRP COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]3C[NH3+])CC2)cc1 ZINC000817897415 593646751 /nfs/dbraw/zinc/64/67/51/593646751.db2.gz OMISIKXXBYUZQI-FXAWDEMLSA-N 2 0 346.519 1.924 20 10 EDCDRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(N2CCCCC2)cc1 ZINC000817945375 593651118 /nfs/dbraw/zinc/65/11/18/593651118.db2.gz AMKCAQHWGGFBCY-INIZCTEOSA-N 2 0 330.476 1.759 20 10 EDCDRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1(C)C ZINC000841846818 594964368 /nfs/dbraw/zinc/96/43/68/594964368.db2.gz WCURDNKCQILUFR-FCEWJHQRSA-N 2 0 348.491 1.401 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)[C@]3(O)CCOC3)cc2)CC1 ZINC000842757795 595189769 /nfs/dbraw/zinc/18/97/69/595189769.db2.gz BVBBQHLSRDRKAB-FQEVSTJZSA-N 2 0 347.503 1.706 20 10 EDCDRP C[C@@H]1C[C@@H](C)N(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844223978 595308151 /nfs/dbraw/zinc/30/81/51/595308151.db2.gz DDPDSJSPOKABNK-INMHGKMJSA-N 2 0 332.492 1.674 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=[NH2+])NC3CCC3)CC2)cc1 ZINC000849110775 595483735 /nfs/dbraw/zinc/48/37/35/595483735.db2.gz NYYAJTSBAMKNPV-UHFFFAOYSA-N 2 0 345.491 1.874 20 10 EDCDRP CO[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCOC1 ZINC000850341452 595813375 /nfs/dbraw/zinc/81/33/75/595813375.db2.gz AGIWCSOFEGMUKP-IEBWSBKVSA-N 2 0 333.476 1.580 20 10 EDCDRP COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCOC1 ZINC000883291109 597702198 /nfs/dbraw/zinc/70/21/98/597702198.db2.gz SMMANIHRWJWBBX-AZUAARDMSA-N 2 0 347.503 1.970 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc2)CC1 ZINC000790618507 580773988 /nfs/dbraw/zinc/77/39/88/580773988.db2.gz IJHMNAGMTHALSF-MJGOQNOKSA-N 2 0 349.519 1.686 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000891972446 590716896 /nfs/dbraw/zinc/71/68/96/590716896.db2.gz HKRJLUVHSMKLTI-QGZVFWFLSA-N 2 0 345.491 1.380 20 10 EDCDRP CCOc1cccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1O ZINC000841071256 592002801 /nfs/dbraw/zinc/00/28/01/592002801.db2.gz WYSHBKHETYMIGG-CQSZACIVSA-N 2 0 347.381 1.717 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCO[C@@]34CCOC4)cc2)CC1 ZINC000903217779 592141332 /nfs/dbraw/zinc/14/13/32/592141332.db2.gz ZQUGCXQMIXLXEF-RBUKOAKNSA-N 2 0 331.460 1.476 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCN[C@@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000817897638 593646796 /nfs/dbraw/zinc/64/67/96/593646796.db2.gz UJUSBEAFJSZJTK-RBUKOAKNSA-N 2 0 332.492 1.677 20 10 EDCDRP Cc1cccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1O ZINC000840955246 594832618 /nfs/dbraw/zinc/83/26/18/594832618.db2.gz PFFZUPLQWJNITA-UHFFFAOYSA-N 2 0 333.476 1.587 20 10 EDCDRP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000844225611 595309237 /nfs/dbraw/zinc/30/92/37/595309237.db2.gz SJRUCXWHDQCHGN-UHFFFAOYSA-N 2 0 344.503 1.787 20 10 EDCDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000844225802 595309752 /nfs/dbraw/zinc/30/97/52/595309752.db2.gz VFSCQYFEJWMSFN-UHFFFAOYSA-N 2 0 330.476 1.444 20 10 EDCDRP CCC[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000236887813 443150929 /nfs/dbraw/zinc/15/09/29/443150929.db2.gz QUCXRGJRHQPXDH-INIZCTEOSA-N 2 0 336.455 1.711 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000276993179 443887613 /nfs/dbraw/zinc/88/76/13/443887613.db2.gz GYASEYITZZJHAT-CVEARBPZSA-N 2 0 348.491 1.307 20 10 EDCDRP COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000757922578 579973095 /nfs/dbraw/zinc/97/30/95/579973095.db2.gz DBHXGZYJKGTWLV-LJQANCHMSA-N 2 0 349.475 1.496 20 10 EDCDRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892940405 591231494 /nfs/dbraw/zinc/23/14/94/591231494.db2.gz WDHUVDNMSXASEM-YOEHRIQHSA-N 2 0 331.464 1.070 20 10 EDCDRP COc1cc(O)c(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1OC ZINC000894377617 591295370 /nfs/dbraw/zinc/29/53/70/591295370.db2.gz CNMHINJAPRTQGJ-UHFFFAOYSA-N 2 0 337.464 1.527 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C4OCCO4)C3)cc2)CC1 ZINC000896386735 591446573 /nfs/dbraw/zinc/44/65/73/591446573.db2.gz NZRJVTJTTVMMFR-QGZVFWFLSA-N 2 0 331.460 1.633 20 10 EDCDRP COc1cc(Br)cc(C[NH2+]CCOCCC[NH3+])c1O ZINC000863484857 591487976 /nfs/dbraw/zinc/48/79/76/591487976.db2.gz OEJIASPJQPEDMF-UHFFFAOYSA-N 2 0 333.226 1.618 20 10 EDCDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(N(C)C)cc1C)C2 ZINC000903977686 592399252 /nfs/dbraw/zinc/39/92/52/592399252.db2.gz WAQPSMMMTPEOLC-FCEWJHQRSA-N 2 0 331.460 1.773 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC[C@H](O)C[N@H+](C)C2CC2)[NH+](C)C)cc1 ZINC000905703274 592616152 /nfs/dbraw/zinc/61/61/52/592616152.db2.gz HJORPCAHKAXDDM-RBUKOAKNSA-N 2 0 334.508 1.400 20 10 EDCDRP CC[NH+]1CCC(N(C)CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000839503475 593311907 /nfs/dbraw/zinc/31/19/07/593311907.db2.gz LWNJKFXYXWTDFX-UHFFFAOYSA-N 2 0 332.492 1.785 20 10 EDCDRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817891379 593645800 /nfs/dbraw/zinc/64/58/00/593645800.db2.gz BELNVGVQTUUOET-WBVHZDCISA-N 2 0 337.489 1.138 20 10 EDCDRP COc1ccc(N2CCN(CC[NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000817894777 593646287 /nfs/dbraw/zinc/64/62/87/593646287.db2.gz OFPUUTZSWRWUPI-XLIONFOSSA-N 2 0 346.519 1.924 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000841847109 594964192 /nfs/dbraw/zinc/96/41/92/594964192.db2.gz ZIXRFXDORDIPKO-OALUTQOASA-N 2 0 338.455 1.583 20 10 EDCDRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(N3CCOCC3)cc1)CCO2 ZINC000843432317 595109320 /nfs/dbraw/zinc/10/93/20/595109320.db2.gz WEUJFFQFLOHCNK-UHFFFAOYSA-N 2 0 345.487 1.820 20 10 EDCDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000844903172 595411199 /nfs/dbraw/zinc/41/11/99/595411199.db2.gz UFSQYCOTTBPNGA-XPKDYRNWSA-N 2 0 334.416 1.839 20 10 EDCDRP Cc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1N(C)C ZINC000292726985 443827583 /nfs/dbraw/zinc/82/75/83/443827583.db2.gz GFCZBNZVAMWLRG-UHFFFAOYSA-N 2 0 346.519 1.951 20 10 EDCDRP CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000759172877 580000201 /nfs/dbraw/zinc/00/02/01/580000201.db2.gz JMLWFPSTSIFGGK-OALUTQOASA-N 2 0 333.476 1.722 20 10 EDCDRP C[N@H+](CCN1CCOCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775674646 580396915 /nfs/dbraw/zinc/39/69/15/580396915.db2.gz HHZRNMABEXHKMQ-UHFFFAOYSA-N 2 0 332.492 1.202 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@H+](CCO)Cc3cccnc3)cc2)CC1 ZINC000775677819 580396924 /nfs/dbraw/zinc/39/69/24/580396924.db2.gz RLVXPSUKEBLIMY-UHFFFAOYSA-N 2 0 340.471 1.828 20 10 EDCDRP COc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(O)c1OC ZINC000892115696 590807576 /nfs/dbraw/zinc/80/75/76/590807576.db2.gz RLRVIBRGULZPPV-AWEZNQCLSA-N 2 0 336.432 1.564 20 10 EDCDRP CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000892237911 590881284 /nfs/dbraw/zinc/88/12/84/590881284.db2.gz TYPQOSNVQIZDSU-AEFFLSMTSA-N 2 0 347.507 1.749 20 10 EDCDRP CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C)[NH+](C)C)cc1 ZINC000896620273 591554926 /nfs/dbraw/zinc/55/49/26/591554926.db2.gz PLNBKRYIAZENTC-DLBZAZTESA-N 2 0 333.480 1.359 20 10 EDCDRP Cc1cc(O)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000841071487 594847708 /nfs/dbraw/zinc/84/77/08/594847708.db2.gz YJLYUHZQQXETFC-HNNXBMFYSA-N 2 0 331.382 1.935 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNCc2nc3c(s2)C[NH2+]CC3)cc1 ZINC000853246446 595718424 /nfs/dbraw/zinc/71/84/24/595718424.db2.gz KMXCZJBHFUNLGR-AWEZNQCLSA-N 2 0 331.489 1.644 20 10 EDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)Cn3cncn3)cc2F)CC1 ZINC000850433329 595832873 /nfs/dbraw/zinc/83/28/73/595832873.db2.gz LGUWECDOIMUVFQ-HNNXBMFYSA-N 2 0 346.454 1.737 20 10 EDCDRP COC(=O)C[C@@]1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCOC1 ZINC000766469377 580167700 /nfs/dbraw/zinc/16/77/00/580167700.db2.gz OIQPPZROBBWZPV-IBGZPJMESA-N 2 0 347.459 1.250 20 10 EDCDRP COc1cc(O)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1OC ZINC000768446193 580213241 /nfs/dbraw/zinc/21/32/41/580213241.db2.gz KSMXCFBGTAJFCM-UHFFFAOYSA-N 2 0 338.448 1.952 20 10 EDCDRP COc1cccc(O)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000769528315 580239098 /nfs/dbraw/zinc/23/90/98/580239098.db2.gz UZHIXNDBKCRADQ-WBVHZDCISA-N 2 0 333.476 1.859 20 10 EDCDRP C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000789762906 580752961 /nfs/dbraw/zinc/75/29/61/580752961.db2.gz ANDYERYLAIKSTG-SFHVURJKSA-N 2 0 346.519 1.591 20 10 EDCDRP C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000793588280 580848276 /nfs/dbraw/zinc/84/82/76/580848276.db2.gz IHPWXPGJTOZDKG-ZWKOTPCHSA-N 2 0 346.519 1.325 20 10 EDCDRP Cc1ccc(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)c(O)c1 ZINC000895686507 591248628 /nfs/dbraw/zinc/24/86/28/591248628.db2.gz SSBGDVJJILIBMO-SFHVURJKSA-N 2 0 333.476 1.587 20 10 EDCDRP C[C@@H]1[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000896618677 591553957 /nfs/dbraw/zinc/55/39/57/591553957.db2.gz RBVIGKTVRSWHKJ-FHLIZLRMSA-N 2 0 347.507 1.747 20 10 EDCDRP COc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1C ZINC000841069488 591559228 /nfs/dbraw/zinc/55/92/28/591559228.db2.gz AWBRNHCIVPTIPU-HNNXBMFYSA-N 2 0 331.382 1.929 20 10 EDCDRP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903731884 592288509 /nfs/dbraw/zinc/28/85/09/592288509.db2.gz ARPWBCTYQFHKDE-VQTJNVASSA-N 2 0 345.487 1.724 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C[C@@](C)(O)C3CC3)cc2)CC1 ZINC000905427249 592531242 /nfs/dbraw/zinc/53/12/42/592531242.db2.gz MGLLZHYYGXQEAZ-VQTJNVASSA-N 2 0 347.503 1.440 20 10 EDCDRP COc1cccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1O ZINC000816620860 593535674 /nfs/dbraw/zinc/53/56/74/593535674.db2.gz OMPQCXVYIVXXDG-UHFFFAOYSA-N 2 0 335.448 1.483 20 10 EDCDRP Cc1cc(C[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)ccc1N(C)C ZINC000815073787 593613600 /nfs/dbraw/zinc/61/36/00/593613600.db2.gz AHUCRFXIXRSDHS-IBGZPJMESA-N 2 0 344.503 1.975 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@H]([NH3+])C3)cc2F)CC1 ZINC000841793984 594954226 /nfs/dbraw/zinc/95/42/26/594954226.db2.gz WXOKZSMWDHOLQE-HNNXBMFYSA-N 2 0 349.454 1.210 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000841846500 594964048 /nfs/dbraw/zinc/96/40/48/594964048.db2.gz PCVPSWQXCHNAFC-MSOLQXFVSA-N 2 0 326.444 1.959 20 10 EDCDRP COCC[NH2+]C1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000844899857 595410336 /nfs/dbraw/zinc/41/03/36/595410336.db2.gz HCVIPHHHJQCMKU-UHFFFAOYSA-N 2 0 346.519 1.639 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC3=[NH+]CCCN3C)CC2)cc1 ZINC000849110520 595483344 /nfs/dbraw/zinc/48/33/44/595483344.db2.gz HFIOMIGYKUTKQY-UHFFFAOYSA-N 2 0 345.491 1.488 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNCc2nc3c(s2)C[NH2+]CC3)cc1 ZINC000853246447 595718886 /nfs/dbraw/zinc/71/88/86/595718886.db2.gz KMXCZJBHFUNLGR-CQSZACIVSA-N 2 0 331.489 1.644 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4OC[C@@H]5C[C@H]3C[C@@H]54)cc2)CC1 ZINC000865692287 596652148 /nfs/dbraw/zinc/65/21/48/596652148.db2.gz BDVACFOYINTPFR-FLFBIERCSA-N 2 0 327.472 1.951 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CCNC4=O)CC3)cc2)CC1 ZINC000877782770 597556098 /nfs/dbraw/zinc/55/60/98/597556098.db2.gz NNGDQIVDAXMEGK-UHFFFAOYSA-N 2 0 342.487 1.541 20 10 EDCDRP CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000368811701 447124914 /nfs/dbraw/zinc/12/49/14/447124914.db2.gz YZRDKTDUJQETDU-WMZOPIPTSA-N 2 0 333.476 1.792 20 10 EDCDRP COc1cccc(O)c1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000769528314 580239169 /nfs/dbraw/zinc/23/91/69/580239169.db2.gz UZHIXNDBKCRADQ-RDJZCZTQSA-N 2 0 333.476 1.859 20 10 EDCDRP COCCCOCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779604009 580491008 /nfs/dbraw/zinc/49/10/08/580491008.db2.gz QWLVLDVOZCYGFW-UHFFFAOYSA-N 2 0 335.492 1.923 20 10 EDCDRP C[N@H+](CCc1cnccn1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780895614 580536884 /nfs/dbraw/zinc/53/68/84/580536884.db2.gz YEKCPUKMHNLKAO-UHFFFAOYSA-N 2 0 325.460 1.903 20 10 EDCDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@]2(CCOC2)O1 ZINC000793361279 580842859 /nfs/dbraw/zinc/84/28/59/580842859.db2.gz GNYKGFRFBQQTSE-PXNSSMCTSA-N 2 0 345.487 1.818 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCCC[NH2+]C3CC3)cc2)CC1 ZINC000891967923 590714188 /nfs/dbraw/zinc/71/41/88/590714188.db2.gz JYTKHJDMZLGKHN-UHFFFAOYSA-N 2 0 345.491 1.380 20 10 EDCDRP COc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903980096 592400764 /nfs/dbraw/zinc/40/07/64/592400764.db2.gz HEOHGLFJIXEKSY-CALCHBBNSA-N 2 0 331.460 1.801 20 10 EDCDRP NC(=O)[C@H]1CCCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])cc2)C1 ZINC000817888480 593645077 /nfs/dbraw/zinc/64/50/77/593645077.db2.gz GJZWVUZRSJOEPQ-BQFCYCMXSA-N 2 0 330.476 1.605 20 10 EDCDRP COc1nccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000824549155 594036718 /nfs/dbraw/zinc/03/67/18/594036718.db2.gz ZZJNNJIRXIBJGW-UHFFFAOYSA-N 2 0 327.432 1.527 20 10 EDCDRP COCC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]CC1 ZINC000841068983 594846777 /nfs/dbraw/zinc/84/67/77/594846777.db2.gz YXNGQGFDZAATQI-UHFFFAOYSA-N 3 0 346.519 1.544 20 10 EDCDRP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1O ZINC000843048031 595273693 /nfs/dbraw/zinc/27/36/93/595273693.db2.gz JPAJVEJYTZELFO-LBPRGKRZSA-N 2 0 325.840 1.641 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)CC[NH2+]C3CC3)cc2F)CC1 ZINC000848415987 595375608 /nfs/dbraw/zinc/37/56/08/595375608.db2.gz VEAGWOSQDNEUCG-UHFFFAOYSA-N 2 0 348.466 1.726 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCS(=O)(=O)CC3)cc2)CC1 ZINC000883283837 597699701 /nfs/dbraw/zinc/69/97/01/597699701.db2.gz VEZIMKQJOHQBCN-UHFFFAOYSA-N 2 0 337.489 1.105 20 10 EDCDRP CC[C@@]1(C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)CCC[NH2+]1 ZINC000134366860 442474770 /nfs/dbraw/zinc/47/47/70/442474770.db2.gz JQJPAAUOICOYRH-SFHVURJKSA-N 2 0 334.439 1.384 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CCC(N)=O)C3)cc2)CC1 ZINC000775666111 580396660 /nfs/dbraw/zinc/39/66/60/580396660.db2.gz SPLOCLVVVJJXHE-KRWDZBQOSA-N 2 0 344.503 1.916 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3([S@](C)=O)CCC3)cc2)CC1 ZINC000797903836 580983458 /nfs/dbraw/zinc/98/34/58/580983458.db2.gz VUHFEYUVBKJUHT-QHCPKHFHSA-N 2 0 335.517 1.829 20 10 EDCDRP C[C@H](CCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[NH+](C)C ZINC000899097995 591677330 /nfs/dbraw/zinc/67/73/30/591677330.db2.gz KAUAUTRGJCGWMP-CRAIPNDOSA-N 2 0 349.523 1.995 20 10 EDCDRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895607080 591820912 /nfs/dbraw/zinc/82/09/12/591820912.db2.gz KSUSQLULIKUEHY-WMZOPIPTSA-N 2 0 344.503 1.975 20 10 EDCDRP COc1ccc(N(C)CC[N@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903768668 592310281 /nfs/dbraw/zinc/31/02/81/592310281.db2.gz OSDQPHPSZIKGBA-RTBURBONSA-N 2 0 333.476 1.832 20 10 EDCDRP CC(=O)NC1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000808432156 593258699 /nfs/dbraw/zinc/25/86/99/593258699.db2.gz WUCGFKCDLABGTO-UHFFFAOYSA-N 2 0 344.503 1.975 20 10 EDCDRP CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000818965153 593730763 /nfs/dbraw/zinc/73/07/63/593730763.db2.gz QDBXTFCEPZDAAV-LJQANCHMSA-N 2 0 334.508 1.231 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)cc2)CC1 ZINC000822503363 594058913 /nfs/dbraw/zinc/05/89/13/594058913.db2.gz GXKIPGYDSYACQI-LJQANCHMSA-N 2 0 340.475 1.867 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000832265912 594739134 /nfs/dbraw/zinc/73/91/34/594739134.db2.gz BKNQUTYQLAERTM-PREGVCBESA-N 2 0 334.464 1.155 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCO[C@@]4(CCOC4)C3)cc2)CC1 ZINC000771873223 580297228 /nfs/dbraw/zinc/29/72/28/580297228.db2.gz VEDPTADLYPSGGV-ICSRJNTNSA-N 2 0 345.487 1.866 20 10 EDCDRP CCOC(=O)[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775713999 580398183 /nfs/dbraw/zinc/39/81/83/580398183.db2.gz YNGGCWHUHMIVDR-GOSISDBHSA-N 2 0 347.459 1.202 20 10 EDCDRP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892036121 590763865 /nfs/dbraw/zinc/76/38/65/590763865.db2.gz IRAUBONCIKATPC-QGZVFWFLSA-N 2 0 347.507 1.611 20 10 EDCDRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892199124 590861112 /nfs/dbraw/zinc/86/11/12/590861112.db2.gz TVKFQHSCTVKTKH-GJZGRUSLSA-N 2 0 333.480 1.363 20 10 EDCDRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892199123 590861229 /nfs/dbraw/zinc/86/12/29/590861229.db2.gz TVKFQHSCTVKTKH-CABCVRRESA-N 2 0 333.480 1.363 20 10 EDCDRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000892938651 591231420 /nfs/dbraw/zinc/23/14/20/591231420.db2.gz BUPUVVWRSHRRGA-WBVHZDCISA-N 2 0 345.491 1.317 20 10 EDCDRP COc1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(O)c1OC ZINC000892950287 591236808 /nfs/dbraw/zinc/23/68/08/591236808.db2.gz CFLYXUWDACOLNW-OAHLLOKOSA-N 2 0 338.448 1.736 20 10 EDCDRP Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819376733 593752497 /nfs/dbraw/zinc/75/24/97/593752497.db2.gz IKIUIBHWQWWJKB-XLIONFOSSA-N 2 0 348.535 1.190 20 10 EDCDRP C[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)CCO3)(N2CCOCC2)CC1 ZINC000840955858 594833010 /nfs/dbraw/zinc/83/30/10/594833010.db2.gz YRSAYTCTTPQWSA-UHFFFAOYSA-N 2 0 345.487 1.508 20 10 EDCDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000853248743 595719508 /nfs/dbraw/zinc/71/95/08/595719508.db2.gz XXGNIFKMYXHAAL-UHFFFAOYSA-N 2 0 335.448 1.481 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC34OCCO4)cc2)CC1 ZINC000883179112 597678350 /nfs/dbraw/zinc/67/83/50/597678350.db2.gz NLOZAXRTODAHBF-GOSISDBHSA-N 2 0 331.460 1.824 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3CC4(C3)OCCO4)cc2)CC1 ZINC000922799202 704355646 /nfs/dbraw/zinc/35/56/46/704355646.db2.gz LFNOQLDLRBVJMG-UHFFFAOYSA-N 2 0 331.460 1.681 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2F)CC1 ZINC000106922401 529153175 /nfs/dbraw/zinc/15/31/75/529153175.db2.gz RIRHPDQEMHIEEI-GOSISDBHSA-N 2 0 348.466 1.678 20 10 EDCDRP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000756550383 579952290 /nfs/dbraw/zinc/95/22/90/579952290.db2.gz REBVFFMTXPYFCO-KBPBESRZSA-N 2 0 335.448 1.639 20 10 EDCDRP COc1ccc(N2CCC([NH2+]CC3(O)CC[NH+](C)CC3)CC2)cc1 ZINC000766122575 580159639 /nfs/dbraw/zinc/15/96/39/580159639.db2.gz KPFQVUYFDJPQKF-UHFFFAOYSA-N 2 0 333.476 1.710 20 10 EDCDRP COC1(CO)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775204065 580385607 /nfs/dbraw/zinc/38/56/07/580385607.db2.gz LTLZVIGGDYSSMS-UHFFFAOYSA-N 2 0 333.476 1.412 20 10 EDCDRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776246161 580412665 /nfs/dbraw/zinc/41/26/65/580412665.db2.gz PDYJBPBZAHDPAK-MRXNPFEDSA-N 2 0 349.523 1.948 20 10 EDCDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892575382 591077892 /nfs/dbraw/zinc/07/78/92/591077892.db2.gz VCNMZCNXPIJQDJ-CQSZACIVSA-N 2 0 337.464 1.525 20 10 EDCDRP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000892939821 591231634 /nfs/dbraw/zinc/23/16/34/591231634.db2.gz PKQKXEGZTBHBCM-KRWDZBQOSA-N 2 0 345.491 1.332 20 10 EDCDRP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000817890748 593645705 /nfs/dbraw/zinc/64/57/05/593645705.db2.gz YLOSQAHFZWNBHT-HRBLRVMOSA-N 2 0 342.487 1.761 20 10 EDCDRP Oc1cccc2c1[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC2 ZINC000817974180 593652700 /nfs/dbraw/zinc/65/27/00/593652700.db2.gz ZZNZIOKIWIEAHV-OCCSQVGLSA-N 2 0 329.366 1.805 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)CC(C)(C)[NH3+])cc2F)CC1 ZINC000828878003 594522471 /nfs/dbraw/zinc/52/24/71/594522471.db2.gz VQXWJQANWQBZBA-UHFFFAOYSA-N 2 0 336.455 1.711 20 10 EDCDRP Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1C ZINC000872254741 596855659 /nfs/dbraw/zinc/85/56/59/596855659.db2.gz COYSQFCJWUFRHD-INMHGKMJSA-N 2 0 331.416 1.376 20 10 EDCDRP Cc1cc(O)c(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1C ZINC000872254742 596855741 /nfs/dbraw/zinc/85/57/41/596855741.db2.gz COYSQFCJWUFRHD-UXLLHSPISA-N 2 0 331.416 1.376 20 10 EDCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)CC1 ZINC000881854184 597756693 /nfs/dbraw/zinc/75/66/93/597756693.db2.gz WHXFXNIOSGHOJQ-IBGZPJMESA-N 2 0 342.487 1.681 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000269269121 443259721 /nfs/dbraw/zinc/25/97/21/443259721.db2.gz RAGDUKGZCJQTEV-SFHVURJKSA-N 2 0 348.491 1.307 20 10 EDCDRP COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000273621784 443583197 /nfs/dbraw/zinc/58/31/97/443583197.db2.gz ZHAJOBIPMAEINJ-ZIAGYGMSSA-N 2 0 335.448 1.465 20 10 EDCDRP CCC[N@H+](C)CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000732924575 578735664 /nfs/dbraw/zinc/73/56/64/578735664.db2.gz YUMTUQGFRALSNX-UHFFFAOYSA-N 2 0 348.491 1.275 20 10 EDCDRP COc1cc(C)cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000754732934 579910342 /nfs/dbraw/zinc/91/03/42/579910342.db2.gz XIBVCAXDEXMUKK-QGZVFWFLSA-N 2 0 333.476 1.921 20 10 EDCDRP CC(=O)NC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775665963 580396695 /nfs/dbraw/zinc/39/66/95/580396695.db2.gz PALIVSGZRWZKTJ-UHFFFAOYSA-N 2 0 330.476 1.539 20 10 EDCDRP CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775742965 580399326 /nfs/dbraw/zinc/39/93/26/580399326.db2.gz DNXRUPMKUBRZKJ-IBGZPJMESA-N 2 0 344.503 1.739 20 10 EDCDRP CN1CCN(C)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000897856459 591679921 /nfs/dbraw/zinc/67/99/21/591679921.db2.gz OCFBNKDGVRUJJF-UHFFFAOYSA-N 2 0 345.535 1.118 20 10 EDCDRP CN(C)c1ccc([C@H](C[NH2+][C@H]2[C@@H]3COC[C@H]2C[C@@H]([NH3+])C3)N(C)C)cc1 ZINC000902516810 592009366 /nfs/dbraw/zinc/00/93/66/592009366.db2.gz GXMQFQKWJGACSL-VYMYIBDJSA-N 2 0 346.519 1.697 20 10 EDCDRP COc1ccc(N2CCC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903736027 592299159 /nfs/dbraw/zinc/29/91/59/592299159.db2.gz FZKLYWWKLFKFTP-VQTJNVASSA-N 2 0 345.487 1.976 20 10 EDCDRP C[NH2+]CCc1ccccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817858916 593641884 /nfs/dbraw/zinc/64/18/84/593641884.db2.gz FKMAGAQRHHJHLT-IBGZPJMESA-N 2 0 340.471 1.944 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[NH2+]C3)cc2F)CC1 ZINC000841797672 594954931 /nfs/dbraw/zinc/95/49/31/594954931.db2.gz SGYGDUNMQJQGIX-OAHLLOKOSA-N 2 0 349.454 1.129 20 10 EDCDRP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841845803 594964051 /nfs/dbraw/zinc/96/40/51/594964051.db2.gz FBLZSSNRIMNRBN-ROUUACIJSA-N 2 0 326.444 1.877 20 10 EDCDRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000844218561 595304961 /nfs/dbraw/zinc/30/49/61/595304961.db2.gz CQUHCOYUXFHXRC-HNNXBMFYSA-N 2 0 332.492 1.770 20 10 EDCDRP CN(C)c1ccc(CNC(=O)CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000852108786 596046545 /nfs/dbraw/zinc/04/65/45/596046545.db2.gz MRVHIWWSWOXSCW-FQEVSTJZSA-N 2 0 344.503 1.787 20 10 EDCDRP CN(C)c1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000883283660 597699796 /nfs/dbraw/zinc/69/97/96/597699796.db2.gz NMQKFLNYQNLCFZ-UHFFFAOYSA-N 2 0 340.475 1.584 20 10 EDCDRP CCO[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000922756095 704316112 /nfs/dbraw/zinc/31/61/12/704316112.db2.gz FKBBNPFWAFTLEN-MRXNPFEDSA-N 2 0 339.455 1.719 20 10 EDCDRP CC[C@@]1(C(=O)NCc2ccc(N3CC[NH2+]CC3)c(F)c2)CC[NH2+]C1 ZINC000360467529 445709413 /nfs/dbraw/zinc/70/94/13/445709413.db2.gz RTFQOFFVULVGLP-GOSISDBHSA-N 2 0 334.439 1.241 20 10 EDCDRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000765797409 580151623 /nfs/dbraw/zinc/15/16/23/580151623.db2.gz PETSUQBCNLSHGT-DOTOQJQBSA-N 2 0 332.492 1.991 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(CCC(N)=O)CC3)cc2)CC1 ZINC000775713357 580398199 /nfs/dbraw/zinc/39/81/99/580398199.db2.gz KWRJEOFVRJPKMW-UHFFFAOYSA-N 2 0 344.503 1.916 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCSC[C@@H]3CCO)cc2)CC1 ZINC000775737237 580399035 /nfs/dbraw/zinc/39/90/35/580399035.db2.gz LHIKLICQYAWIIG-SFHVURJKSA-N 2 0 335.517 1.738 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)C(=O)N3CCCC3)cc2)CC1 ZINC000793393945 580843336 /nfs/dbraw/zinc/84/33/36/580843336.db2.gz GGSOMJJDRWNJSH-UHFFFAOYSA-N 2 0 344.503 1.929 20 10 EDCDRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000892939157 591230947 /nfs/dbraw/zinc/23/09/47/591230947.db2.gz INAHNGVAPVTRIJ-ZBFHGGJFSA-N 2 0 331.464 1.070 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](CO)OC(C)(C)C3)cc2)CC1 ZINC000817412492 593603208 /nfs/dbraw/zinc/60/32/08/593603208.db2.gz LTQZYWWODUBKJS-SFHVURJKSA-N 2 0 333.476 1.410 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCN[C@H]3CCC[C@H]3[NH3+])CC2)cc1 ZINC000817897636 593646688 /nfs/dbraw/zinc/64/66/88/593646688.db2.gz UJUSBEAFJSZJTK-MOPGFXCFSA-N 2 0 332.492 1.677 20 10 EDCDRP COc1ccc(O)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000841070476 594847189 /nfs/dbraw/zinc/84/71/89/594847189.db2.gz NYGUGHFJUVGMFI-AWEZNQCLSA-N 2 0 333.354 1.327 20 10 EDCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000841846707 594964425 /nfs/dbraw/zinc/96/44/25/594964425.db2.gz TUTDUKKOTNRVJC-MJGOQNOKSA-N 2 0 340.471 1.829 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000843298684 595066831 /nfs/dbraw/zinc/06/68/31/595066831.db2.gz PTMUCRIWMQZDIF-MRXNPFEDSA-N 2 0 327.432 1.643 20 10 EDCDRP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843047414 595272920 /nfs/dbraw/zinc/27/29/20/595272920.db2.gz ULZSGJOCPYTHTH-SFHVURJKSA-N 2 0 344.503 1.705 20 10 EDCDRP CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(O)c1 ZINC000843047023 595273080 /nfs/dbraw/zinc/27/30/80/595273080.db2.gz LDEJCCNBCXZTKN-MRXNPFEDSA-N 2 0 347.459 1.435 20 10 EDCDRP COc1ccc(N2CC[NH+](CCCNC(=O)CCCC[NH3+])CC2)cc1 ZINC000844190907 595297884 /nfs/dbraw/zinc/29/78/84/595297884.db2.gz FNRYDVYLWLDPCF-UHFFFAOYSA-N 2 0 348.491 1.453 20 10 EDCDRP COC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCOCC1 ZINC000850351875 595815044 /nfs/dbraw/zinc/81/50/44/595815044.db2.gz WFSZREAIIXWDDS-FQEVSTJZSA-N 2 0 347.503 1.970 20 10 EDCDRP Oc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852742533 596237152 /nfs/dbraw/zinc/23/71/52/596237152.db2.gz JPSLKCRYZWWRJZ-IAGOWNOFSA-N 2 0 332.444 1.894 20 10 EDCDRP C[NH+]1CCN(C2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)CC1 ZINC000872731476 597049954 /nfs/dbraw/zinc/04/99/54/597049954.db2.gz GWFVTELSNVRTOY-SFHVURJKSA-N 2 0 347.459 1.030 20 10 EDCDRP CN(C)c1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1C ZINC000883283379 597699866 /nfs/dbraw/zinc/69/98/66/597699866.db2.gz CLOGQGAIUMWEJS-UHFFFAOYSA-N 2 0 342.491 1.528 20 10 EDCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(=O)[nH]n1 ZINC000883290214 597701509 /nfs/dbraw/zinc/70/15/09/597701509.db2.gz OHVLMXJOXLKVCF-AWEZNQCLSA-N 2 0 327.432 1.785 20 10 EDCDRP COc1cccc(O)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000769528311 580239109 /nfs/dbraw/zinc/23/91/09/580239109.db2.gz UZHIXNDBKCRADQ-DOTOQJQBSA-N 2 0 333.476 1.859 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CNC(=O)O4)CC3)cc2)CC1 ZINC000783721494 580604694 /nfs/dbraw/zinc/60/46/94/580604694.db2.gz ARDMTVJKIRWHQJ-UHFFFAOYSA-N 2 0 344.459 1.513 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](CO)[C@H]3CCOC3)cc2)CC1 ZINC000795580643 580929907 /nfs/dbraw/zinc/92/99/07/580929907.db2.gz DNLLNBKKRSKMMH-ZWKOTPCHSA-N 2 0 333.476 1.173 20 10 EDCDRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892431061 591025476 /nfs/dbraw/zinc/02/54/76/591025476.db2.gz OCDMPAQBUGJYOH-YJBOKZPZSA-N 2 0 349.523 1.995 20 10 EDCDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000892575381 591078219 /nfs/dbraw/zinc/07/82/19/591078219.db2.gz VCNMZCNXPIJQDJ-AWEZNQCLSA-N 2 0 337.464 1.525 20 10 EDCDRP COc1ccc(N2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1F ZINC000903740115 592301871 /nfs/dbraw/zinc/30/18/71/592301871.db2.gz DQHGKZJZLGKTGW-LPHOPBHVSA-N 2 0 349.450 1.725 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCS3(=O)=O)cc2)CC1 ZINC000825025168 594118104 /nfs/dbraw/zinc/11/81/04/594118104.db2.gz ZAHOGVLZPLDROF-QGZVFWFLSA-N 2 0 337.489 1.105 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C3([NH3+])CCC3)cc2F)CC1 ZINC000828883900 594524059 /nfs/dbraw/zinc/52/40/59/594524059.db2.gz UQQCWVLDSNOOLL-UHFFFAOYSA-N 2 0 334.439 1.465 20 10 EDCDRP CCOc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(O)c1 ZINC000841070230 594847024 /nfs/dbraw/zinc/84/70/24/594847024.db2.gz MEKPUTIZTFBRPB-OAHLLOKOSA-N 2 0 347.381 1.717 20 10 EDCDRP Cc1cc(Br)cc(C[NH+]2CCC(O)(C[NH3+])CC2)c1O ZINC000841108428 594852021 /nfs/dbraw/zinc/85/20/21/594852021.db2.gz ZFEZOVRIJZUMQW-UHFFFAOYSA-N 2 0 329.238 1.749 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@](C)([NH3+])c2ccccc2)cc1 ZINC000841846845 594964232 /nfs/dbraw/zinc/96/42/32/594964232.db2.gz WSUNTNPGUSKHGT-MJGOQNOKSA-N 2 0 326.444 1.743 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2F)CC1 ZINC000844190123 595298030 /nfs/dbraw/zinc/29/80/30/595298030.db2.gz ALVQEOPGBTYCQJ-GASCZTMLSA-N 2 0 334.439 1.321 20 10 EDCDRP CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000844222330 595306504 /nfs/dbraw/zinc/30/65/04/595306504.db2.gz BGGBBYAWINFBEZ-CGTJXYLNSA-N 2 0 330.476 1.428 20 10 EDCDRP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000844222920 595307291 /nfs/dbraw/zinc/30/72/91/595307291.db2.gz OICRBWYOLHTBQO-INIZCTEOSA-N 2 0 332.492 1.772 20 10 EDCDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000844903170 595411020 /nfs/dbraw/zinc/41/10/20/595411020.db2.gz UFSQYCOTTBPNGA-JGGQBBKZSA-N 2 0 334.416 1.839 20 10 EDCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc3c2CC[NH2+]C3)cc1 ZINC000852791273 595544960 /nfs/dbraw/zinc/54/49/60/595544960.db2.gz FUPZMPGXFMNJTE-LJQANCHMSA-N 2 0 338.455 1.828 20 10 EDCDRP C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C[NH2+]1 ZINC000892292986 590919689 /nfs/dbraw/zinc/91/96/89/590919689.db2.gz CSZWAMRXUSZHKG-DOTOQJQBSA-N 2 0 345.491 1.378 20 10 EDCDRP Cn1cc(CCC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000895608216 591820642 /nfs/dbraw/zinc/82/06/42/591820642.db2.gz ZKWWAWBHWNYASN-UHFFFAOYSA-N 2 0 327.476 1.894 20 10 EDCDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902517409 592009214 /nfs/dbraw/zinc/00/92/14/592009214.db2.gz LTSSPCOGLWQQFJ-FZDIXFNVSA-N 2 0 334.508 1.697 20 10 EDCDRP COc1cc(N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)cc(OC)c1OC ZINC000904342573 592234544 /nfs/dbraw/zinc/23/45/44/592234544.db2.gz KWYGKNCHWCBWQB-OKILXGFUSA-N 2 0 335.448 1.572 20 10 EDCDRP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903731881 592288347 /nfs/dbraw/zinc/28/83/47/592288347.db2.gz ARPWBCTYQFHKDE-UXHICEINSA-N 2 0 345.487 1.724 20 10 EDCDRP COCC[C@H]1COCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000812787028 593509292 /nfs/dbraw/zinc/50/92/92/593509292.db2.gz ZLSPPCSIRQFXBT-IBGZPJMESA-N 2 0 333.476 1.676 20 10 EDCDRP CCCN1C[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000817411122 593603233 /nfs/dbraw/zinc/60/32/33/593603233.db2.gz NFOYMSUJSUUGGD-SFHVURJKSA-N 2 0 344.503 1.787 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](n4ccnn4)C3)cc2)CC1 ZINC000822503362 594058969 /nfs/dbraw/zinc/05/89/69/594058969.db2.gz GXKIPGYDSYACQI-IBGZPJMESA-N 2 0 340.475 1.867 20 10 EDCDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3[NH2+]CC3(C)C)cc2F)CC1 ZINC000828876351 594522101 /nfs/dbraw/zinc/52/21/01/594522101.db2.gz CUFDROCCAPKJCL-KRWDZBQOSA-N 2 0 348.466 1.582 20 10 EDCDRP CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000841011292 594838415 /nfs/dbraw/zinc/83/84/15/594838415.db2.gz HJHCUGAKPPPXKL-MRXNPFEDSA-N 3 0 348.491 1.261 20 10 EDCDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877012603 597411548 /nfs/dbraw/zinc/41/15/48/597411548.db2.gz WWLOMBGKCKBVOU-QGZVFWFLSA-N 2 0 346.519 1.373 20 10 EDCDRP CC[NH+](CC)CC[C@H](CO)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883160263 597671877 /nfs/dbraw/zinc/67/18/77/597671877.db2.gz KRNPPNPJFBGRBD-LJQANCHMSA-N 2 0 348.535 1.621 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](CO)Cc3ccoc3)cc2)CC1 ZINC000883270212 597696810 /nfs/dbraw/zinc/69/68/10/597696810.db2.gz IRHNOQRRHOQNJO-LJQANCHMSA-N 2 0 343.471 1.972 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2)CC1 ZINC000883283871 597699674 /nfs/dbraw/zinc/69/96/74/597699674.db2.gz WNXWVUPCDDOLDR-UHFFFAOYSA-N 2 0 331.464 1.071 20 10 EDCDRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000368125267 446655447 /nfs/dbraw/zinc/65/54/47/446655447.db2.gz LRXCMVRDDMEGDQ-YJBOKZPZSA-N 2 0 348.466 1.486 20 10 EDCDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCCNC1=O ZINC000775667317 580396736 /nfs/dbraw/zinc/39/67/36/580396736.db2.gz IPOQDDVVYKPBHK-SFHVURJKSA-N 2 0 330.476 1.539 20 10 EDCDRP Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)[nH]1 ZINC000895008532 591526302 /nfs/dbraw/zinc/52/63/02/591526302.db2.gz ZHBGTVLMQKUWOV-KRWDZBQOSA-N 2 0 340.475 1.854 20 10 EDCDRP CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000896961029 591698421 /nfs/dbraw/zinc/69/84/21/591698421.db2.gz RAVPTCLOEHDIOV-KRWDZBQOSA-N 2 0 331.460 1.823 20 10 EDCDRP COc1ccc(N2CCC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903736026 592298733 /nfs/dbraw/zinc/29/87/33/592298733.db2.gz FZKLYWWKLFKFTP-UXHICEINSA-N 2 0 345.487 1.976 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CCC3(O)CCC3)cc2)CC1 ZINC000905427345 592532030 /nfs/dbraw/zinc/53/20/30/592532030.db2.gz NRDUWZWJHATHDM-LJQANCHMSA-N 2 0 347.503 1.584 20 10 EDCDRP CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000824576389 594041440 /nfs/dbraw/zinc/04/14/40/594041440.db2.gz LOGXUEDFHJMSGU-SFHVURJKSA-N 2 0 346.475 1.711 20 10 EDCDRP O=C(CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC000843356257 595086479 /nfs/dbraw/zinc/08/64/79/595086479.db2.gz KGMUBIUSVAUBNQ-KRWDZBQOSA-N 2 0 347.459 1.195 20 10 EDCDRP Oc1ccccc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248532 595719350 /nfs/dbraw/zinc/71/93/50/595719350.db2.gz HGVCUXFEJQUJFQ-HNNXBMFYSA-N 2 0 341.459 1.905 20 10 EDCDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000854221958 596006474 /nfs/dbraw/zinc/00/64/74/596006474.db2.gz VXTZZDQKJFVKBO-KGLIPLIRSA-N 2 0 325.478 1.137 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCC[C@H]3CCOC3=O)cc2)CC1 ZINC000873160487 597214787 /nfs/dbraw/zinc/21/47/87/597214787.db2.gz DCLBOZNIXLLBAD-KRWDZBQOSA-N 2 0 331.460 1.871 20 10 EDCDRP COC[C@]1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCCC[NH2+]1 ZINC000876506894 597224336 /nfs/dbraw/zinc/22/43/36/597224336.db2.gz QGAJONKHROAMDJ-AEFFLSMTSA-N 2 0 334.464 1.027 20 10 EDCDRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000876506766 597224613 /nfs/dbraw/zinc/22/46/13/597224613.db2.gz OHRQOJPIJQEVEM-QZTJIDSGSA-N 2 0 342.443 1.577 20 10 EDCDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918860894 697217806 /nfs/dbraw/zinc/21/78/06/697217806.db2.gz GGQTVDYAUBKKCN-CALCHBBNSA-N 2 0 344.503 1.927 20 10 EDCDRP COc1cccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1O ZINC000922389204 711436097 /nfs/dbraw/zinc/43/60/97/711436097.db2.gz SGRKMSKCKCACLR-OHDICMOHSA-N 2 0 334.460 1.970 20 10 EDCDRP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237828221 443183414 /nfs/dbraw/zinc/18/34/14/443183414.db2.gz CMKOBCQTDRVRFJ-HNNXBMFYSA-N 2 0 346.450 1.241 20 10 EDCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)CC(=O)NC)cc2F)CC1 ZINC000268927259 443149148 /nfs/dbraw/zinc/14/91/48/443149148.db2.gz YLRCUIVYLQKORA-AWEZNQCLSA-N 2 0 336.455 1.582 20 10 EDCDRP COc1cccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1O ZINC000377624643 447252937 /nfs/dbraw/zinc/25/29/37/447252937.db2.gz LIJHUPIILGGQIR-MRXNPFEDSA-N 2 0 333.476 1.860 20 10 EDCDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(N(C)C)c(F)c1)C2 ZINC000903978839 592400732 /nfs/dbraw/zinc/40/07/32/592400732.db2.gz NCYVGXYEOBMPNE-IYOUNJFTSA-N 2 0 335.423 1.604 20 10 EDCDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)cc2)CC1 ZINC000809687441 593354885 /nfs/dbraw/zinc/35/48/85/593354885.db2.gz ZIQPOSTZYNEPRP-FQEVSTJZSA-N 2 0 345.487 1.820 20 10 EDCDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000817893999 593646497 /nfs/dbraw/zinc/64/64/97/593646497.db2.gz VZYVTONTJCZYSQ-HNNXBMFYSA-N 2 0 339.505 1.529 20 10 EDCDRP