smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000273574614 443580715 /nfs/dbraw/zinc/58/07/15/443580715.db2.gz LKJVGMJZVYGETA-CQSZACIVSA-N 2 1 349.475 1.855 20 10 EDCDMP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(C)ccc3O)CC2)C1 ZINC000371378851 446818913 /nfs/dbraw/zinc/81/89/13/446818913.db2.gz KVQVHWICLTTXKA-GOSISDBHSA-N 2 1 333.476 1.539 20 10 EDCDMP CC[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(C)ccc3O)CC2)C1 ZINC000371378851 446818918 /nfs/dbraw/zinc/81/89/18/446818918.db2.gz KVQVHWICLTTXKA-GOSISDBHSA-N 2 1 333.476 1.539 20 10 EDCDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)[N@@H+]1CCO ZINC000824926985 594098530 /nfs/dbraw/zinc/09/85/30/594098530.db2.gz YPBLVNJFVSCYMF-HDICACEKSA-N 2 1 346.519 1.325 20 10 EDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)N1CCO ZINC000824926985 594098532 /nfs/dbraw/zinc/09/85/32/594098532.db2.gz YPBLVNJFVSCYMF-HDICACEKSA-N 2 1 346.519 1.325 20 10 EDCDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)N1CCO ZINC000824926985 594098534 /nfs/dbraw/zinc/09/85/34/594098534.db2.gz YPBLVNJFVSCYMF-HDICACEKSA-N 2 1 346.519 1.325 20 10 EDCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852746110 596237621 /nfs/dbraw/zinc/23/76/21/596237621.db2.gz IMJFIPFBDRYHLH-GOSISDBHSA-N 2 1 331.460 1.476 20 10 EDCDMP Cc1cc(O)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1C ZINC000093821071 237023043 /nfs/dbraw/zinc/02/30/43/237023043.db2.gz LBSPGNBKDWMTNA-QGZVFWFLSA-N 2 1 331.460 1.747 20 10 EDCDMP Cc1cc(O)c(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1C ZINC000093821071 237023055 /nfs/dbraw/zinc/02/30/55/237023055.db2.gz LBSPGNBKDWMTNA-QGZVFWFLSA-N 2 1 331.460 1.747 20 10 EDCDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2c(cc1O)OCO2 ZINC000289491170 444157729 /nfs/dbraw/zinc/15/77/29/444157729.db2.gz RPCRUJLZCOYHKQ-MRXNPFEDSA-N 2 1 349.475 1.969 20 10 EDCDMP C[C@H]1C[N@H+](C)C[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146873 593264465 /nfs/dbraw/zinc/26/44/65/593264465.db2.gz YPEPNWDWLUPAES-BLLLJJGKSA-N 2 1 325.403 1.841 20 10 EDCDMP C[C@H]1C[N@@H+](C)C[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146873 593264466 /nfs/dbraw/zinc/26/44/66/593264466.db2.gz YPEPNWDWLUPAES-BLLLJJGKSA-N 2 1 325.403 1.841 20 10 EDCDMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817981665 593653414 /nfs/dbraw/zinc/65/34/14/593653414.db2.gz UMTZUXLXNANGIS-ZBFHGGJFSA-N 2 1 337.439 1.691 20 10 EDCDMP COCCNCC[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000841048204 594844146 /nfs/dbraw/zinc/84/41/46/594844146.db2.gz NAROVAASEIAQHZ-UHFFFAOYSA-N 2 1 333.226 1.489 20 10 EDCDMP Cc1cc(Br)c(O)c(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000841029408 594841830 /nfs/dbraw/zinc/84/18/30/594841830.db2.gz OPJYZPHSFPOZKI-UHFFFAOYSA-N 2 1 342.281 1.848 20 10 EDCDMP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@](C)(O)C[NH2+]C ZINC000846219826 595177659 /nfs/dbraw/zinc/17/76/59/595177659.db2.gz YVVLFAACGZHZMZ-CQSZACIVSA-N 2 1 331.254 1.947 20 10 EDCDMP COc1cccc(O)c1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843058532 595276070 /nfs/dbraw/zinc/27/60/70/595276070.db2.gz VEKMXYQQZLLKJG-GDBMZVCRSA-N 2 1 347.459 1.481 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000844223325 595307977 /nfs/dbraw/zinc/30/79/77/595307977.db2.gz YJLUMQLCLAXLLS-JKSUJKDBSA-N 2 1 346.475 1.013 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000844223325 595307979 /nfs/dbraw/zinc/30/79/79/595307979.db2.gz YJLUMQLCLAXLLS-JKSUJKDBSA-N 2 1 346.475 1.013 20 10 EDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000844224222 595308522 /nfs/dbraw/zinc/30/85/22/595308522.db2.gz DLWFWUXGKDJJBL-HDICACEKSA-N 2 1 344.503 1.642 20 10 EDCDMP CN1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1=O ZINC000862428660 596327196 /nfs/dbraw/zinc/32/71/96/596327196.db2.gz UJUGPINFMCJCMJ-SFHVURJKSA-N 2 1 330.476 1.491 20 10 EDCDMP CN1CCC([N@@H+](CCO)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775633240 580395734 /nfs/dbraw/zinc/39/57/34/580395734.db2.gz GIKJKSUZHCKMSJ-UHFFFAOYSA-N 2 1 346.519 1.327 20 10 EDCDMP CC[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898557879 591410191 /nfs/dbraw/zinc/41/01/91/591410191.db2.gz KOLYMNIDZQEWMR-SFHVURJKSA-N 2 1 330.476 1.539 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](CO)OC(C)(C)C3)cc2)CC1 ZINC000817412491 593603237 /nfs/dbraw/zinc/60/32/37/593603237.db2.gz LTQZYWWODUBKJS-GOSISDBHSA-N 2 1 333.476 1.410 20 10 EDCDMP COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000819378927 593752560 /nfs/dbraw/zinc/75/25/60/593752560.db2.gz AFHUNPVXUOSLPN-MAUKXSAKSA-N 2 1 333.476 1.566 20 10 EDCDMP COc1ccc(N2CC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000819378927 593752561 /nfs/dbraw/zinc/75/25/61/593752561.db2.gz AFHUNPVXUOSLPN-MAUKXSAKSA-N 2 1 333.476 1.566 20 10 EDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000824501635 594025523 /nfs/dbraw/zinc/02/55/23/594025523.db2.gz QUQAUFMCRHCVMT-PMACEKPBSA-N 2 1 344.503 1.343 20 10 EDCDMP O[C@H]1CC[N@H+](C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000827700851 594260336 /nfs/dbraw/zinc/26/03/36/594260336.db2.gz YESDBNPVUNTVDH-FQEVSTJZSA-N 2 1 345.487 1.554 20 10 EDCDMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000827700851 594260339 /nfs/dbraw/zinc/26/03/39/594260339.db2.gz YESDBNPVUNTVDH-FQEVSTJZSA-N 2 1 345.487 1.554 20 10 EDCDMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000827700851 594260340 /nfs/dbraw/zinc/26/03/40/594260340.db2.gz YESDBNPVUNTVDH-FQEVSTJZSA-N 2 1 345.487 1.554 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCOCCO)C3CCC3)cc2)CC1 ZINC000827204283 594652385 /nfs/dbraw/zinc/65/23/85/594652385.db2.gz QFZWUGCRIMBOTO-UHFFFAOYSA-N 2 1 347.503 1.802 20 10 EDCDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1=CC(=O)CS1 ZINC000732281266 578702423 /nfs/dbraw/zinc/70/24/23/578702423.db2.gz VZPQPMZEEOTNNB-ZDUSSCGKSA-N 2 1 325.478 1.942 20 10 EDCDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1=CC(=O)CS1 ZINC000732281266 578702424 /nfs/dbraw/zinc/70/24/24/578702424.db2.gz VZPQPMZEEOTNNB-ZDUSSCGKSA-N 2 1 325.478 1.942 20 10 EDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000756408488 579949613 /nfs/dbraw/zinc/94/96/13/579949613.db2.gz OOXLYKNDMNXUTA-OAHLLOKOSA-N 2 1 349.475 1.857 20 10 EDCDMP COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775717268 580398278 /nfs/dbraw/zinc/39/82/78/580398278.db2.gz NWUADAHYJITPLI-SFHVURJKSA-N 2 1 331.460 1.966 20 10 EDCDMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC000787422098 580694978 /nfs/dbraw/zinc/69/49/78/580694978.db2.gz ZVDNNNDCHRGYRV-CRAIPNDOSA-N 2 1 331.460 1.822 20 10 EDCDMP C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CCO2 ZINC000793230040 580838923 /nfs/dbraw/zinc/83/89/23/580838923.db2.gz CNTVMFSDNOXENR-XLIONFOSSA-N 2 1 345.487 1.818 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4NC(=O)OC[C@H]4C3)cc2)CC1 ZINC000798957548 581012338 /nfs/dbraw/zinc/01/23/38/581012338.db2.gz FUNYSWRGESDIRJ-AEFFLSMTSA-N 2 1 344.459 1.369 20 10 EDCDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843047974 595273579 /nfs/dbraw/zinc/27/35/79/595273579.db2.gz FUBLXGRWYWZRCZ-SFHVURJKSA-N 2 1 344.503 1.964 20 10 EDCDMP C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367159384 250193389 /nfs/dbraw/zinc/19/33/89/250193389.db2.gz NJWVFUFVZAUYTA-GDBMZVCRSA-N 2 1 347.459 1.579 20 10 EDCDMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2F)CC1 ZINC000730286757 578639884 /nfs/dbraw/zinc/63/98/84/578639884.db2.gz XKXTUGPVXJMHRQ-MRXNPFEDSA-N 2 1 348.466 1.536 20 10 EDCDMP C[NH+]1CCC([NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000765977316 580155659 /nfs/dbraw/zinc/15/56/59/580155659.db2.gz DUVNVJOFJMISPZ-UHFFFAOYSA-N 2 1 337.489 1.105 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)cc2)CC1 ZINC000787423445 580695121 /nfs/dbraw/zinc/69/51/21/580695121.db2.gz NEOKVHKLRSNUFT-QXAKKESOSA-N 2 1 342.487 1.524 20 10 EDCDMP C[C@@H]1[C@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@H+]1C ZINC000896618679 591553999 /nfs/dbraw/zinc/55/39/99/591553999.db2.gz RBVIGKTVRSWHKJ-OLMNPRSZSA-N 2 1 347.507 1.747 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C(N)=O)c3ccccc3)cc2)CC1 ZINC000905790492 592641829 /nfs/dbraw/zinc/64/18/29/592641829.db2.gz XEHGHPFLMJYJTA-LJQANCHMSA-N 2 1 338.455 1.755 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000829504618 594627785 /nfs/dbraw/zinc/62/77/85/594627785.db2.gz GPXASGZSVAQANL-MRXNPFEDSA-N 2 1 346.475 1.076 20 10 EDCDMP COc1cc(O)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1OC ZINC000841086398 594849101 /nfs/dbraw/zinc/84/91/01/594849101.db2.gz AEFSESOYBBGJLD-UHFFFAOYSA-N 2 1 349.475 1.715 20 10 EDCDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1C ZINC000843047672 595272534 /nfs/dbraw/zinc/27/25/34/595272534.db2.gz ZSBAPAGASAPUSC-MRXNPFEDSA-N 2 1 331.460 1.653 20 10 EDCDMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1O ZINC000843122408 595292375 /nfs/dbraw/zinc/29/23/75/595292375.db2.gz SCHOSVWNYHZLEN-OAHLLOKOSA-N 2 1 335.448 1.610 20 10 EDCDMP CN(C)c1cc(F)c(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1F ZINC000858126352 595706792 /nfs/dbraw/zinc/70/67/92/595706792.db2.gz YWAKJUJRUCETNA-UHFFFAOYSA-N 2 1 340.418 1.285 20 10 EDCDMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506156 597224410 /nfs/dbraw/zinc/22/44/10/597224410.db2.gz GHTCTZDGJONEMR-INIZCTEOSA-N 2 1 329.448 1.889 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC[C@@H](C)[NH3+])CC2)cc1 ZINC000277418545 443985428 /nfs/dbraw/zinc/98/54/28/443985428.db2.gz AHOZJOFCNCMSEI-OAHLLOKOSA-N 2 1 334.464 1.061 20 10 EDCDMP COCCCNC(=O)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775646907 580396216 /nfs/dbraw/zinc/39/62/16/580396216.db2.gz LNUBEPDQMLLTQH-UHFFFAOYSA-N 2 1 348.491 1.023 20 10 EDCDMP COCCCNC(=O)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775646907 580396217 /nfs/dbraw/zinc/39/62/17/580396217.db2.gz LNUBEPDQMLLTQH-UHFFFAOYSA-N 2 1 348.491 1.023 20 10 EDCDMP CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898545472 591404478 /nfs/dbraw/zinc/40/44/78/591404478.db2.gz KOLYMNIDZQEWMR-GOSISDBHSA-N 2 1 330.476 1.539 20 10 EDCDMP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902517386 592009119 /nfs/dbraw/zinc/00/91/19/592009119.db2.gz LJGLEOHHSPEUIT-SUMDDJOVSA-N 2 1 334.508 1.712 20 10 EDCDMP COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903768667 592310352 /nfs/dbraw/zinc/31/03/52/592310352.db2.gz OSDQPHPSZIKGBA-RBUKOAKNSA-N 2 1 333.476 1.832 20 10 EDCDMP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000103461777 593302998 /nfs/dbraw/zinc/30/29/98/593302998.db2.gz PSOUNAZTVGCSCF-UHFFFAOYSA-N 2 1 345.487 1.867 20 10 EDCDMP CN1CCN(c2ccc(C[NH+]3CCC(OCCC[NH3+])CC3)cc2)CC1 ZINC000843056386 595276371 /nfs/dbraw/zinc/27/63/71/595276371.db2.gz ISWUAWMCISHZCJ-UHFFFAOYSA-N 2 1 346.519 1.768 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000843059303 595276443 /nfs/dbraw/zinc/27/64/43/595276443.db2.gz JZVALHHQKUIFFF-IHPCNDPISA-N 3 1 328.504 1.998 20 10 EDCDMP CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000843059303 595276444 /nfs/dbraw/zinc/27/64/44/595276444.db2.gz JZVALHHQKUIFFF-IHPCNDPISA-N 2 1 328.504 1.998 20 10 EDCDMP CN1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000843059303 595276445 /nfs/dbraw/zinc/27/64/45/595276445.db2.gz JZVALHHQKUIFFF-IHPCNDPISA-N 2 1 328.504 1.998 20 10 EDCDMP Cc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1O ZINC000843056929 595276448 /nfs/dbraw/zinc/27/64/48/595276448.db2.gz CMHCLHPOWTVGJW-RDJZCZTQSA-N 2 1 331.460 1.781 20 10 EDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000843122363 595292440 /nfs/dbraw/zinc/29/24/40/595292440.db2.gz RAWIRXUAVJFFHG-SFHVURJKSA-N 2 1 332.492 1.881 20 10 EDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CN2CCC1CC2 ZINC000877705983 597549232 /nfs/dbraw/zinc/54/92/32/597549232.db2.gz CUMZMPWTVDRQIH-FQEVSTJZSA-N 2 1 328.504 1.964 20 10 EDCDMP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000877705983 597549233 /nfs/dbraw/zinc/54/92/33/597549233.db2.gz CUMZMPWTVDRQIH-FQEVSTJZSA-N 2 1 328.504 1.964 20 10 EDCDMP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1O ZINC000877756295 597553320 /nfs/dbraw/zinc/55/33/20/597553320.db2.gz FSKPTSLBNJBNQR-CQSZACIVSA-N 2 1 327.432 1.785 20 10 EDCDMP COc1ccc(N2CC[NH+](CCCN[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000756103301 579943580 /nfs/dbraw/zinc/94/35/80/579943580.db2.gz BHRDLRHOYWPAPT-YLJYHZDGSA-N 2 1 346.519 1.747 20 10 EDCDMP COc1ccc(N2CC[NH+](CCCN[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000756103301 579943581 /nfs/dbraw/zinc/94/35/81/579943581.db2.gz BHRDLRHOYWPAPT-YLJYHZDGSA-N 2 1 346.519 1.747 20 10 EDCDMP COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000756563223 579952705 /nfs/dbraw/zinc/95/27/05/579952705.db2.gz NQTUTNLJGCRJNV-CQSZACIVSA-N 2 1 349.475 1.994 20 10 EDCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)CC1 ZINC000768464549 580213963 /nfs/dbraw/zinc/21/39/63/580213963.db2.gz BFHRJQOJJZYWIG-KDOFPFPSSA-N 2 1 332.444 1.982 20 10 EDCDMP COCCOC[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775725817 580398606 /nfs/dbraw/zinc/39/86/06/580398606.db2.gz QYCDVLXRALYYKH-IBGZPJMESA-N 2 1 347.503 1.923 20 10 EDCDMP COc1cc(C)cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC000894242905 591242908 /nfs/dbraw/zinc/24/29/08/591242908.db2.gz BTINJSGOCQZRKS-AWEZNQCLSA-N 2 1 335.448 1.386 20 10 EDCDMP CCOC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000862502422 596338578 /nfs/dbraw/zinc/33/85/78/596338578.db2.gz MDMKVBBJRBTJBK-LJQANCHMSA-N 2 1 333.476 1.676 20 10 EDCDMP CCOC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000862502422 596338580 /nfs/dbraw/zinc/33/85/80/596338580.db2.gz MDMKVBBJRBTJBK-LJQANCHMSA-N 2 1 333.476 1.676 20 10 EDCDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)Cc2ccccc2O)C1 ZINC000264627210 443352673 /nfs/dbraw/zinc/35/26/73/443352673.db2.gz TXEBIZBDRLKZNX-QGZVFWFLSA-N 2 1 349.475 1.297 20 10 EDCDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2O)C1 ZINC000264627210 443352677 /nfs/dbraw/zinc/35/26/77/443352677.db2.gz TXEBIZBDRLKZNX-QGZVFWFLSA-N 2 1 349.475 1.297 20 10 EDCDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2O)C1 ZINC000264627210 443352680 /nfs/dbraw/zinc/35/26/80/443352680.db2.gz TXEBIZBDRLKZNX-QGZVFWFLSA-N 2 1 349.475 1.297 20 10 EDCDMP CCN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1=O ZINC000779198887 580480900 /nfs/dbraw/zinc/48/09/00/580480900.db2.gz OKCVMRHPZLCDBB-UHFFFAOYSA-N 2 1 344.503 1.881 20 10 EDCDMP CCN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1=O ZINC000779198887 580480901 /nfs/dbraw/zinc/48/09/01/580480901.db2.gz OKCVMRHPZLCDBB-UHFFFAOYSA-N 2 1 344.503 1.881 20 10 EDCDMP CC[C@@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817895189 593646402 /nfs/dbraw/zinc/64/64/02/593646402.db2.gz SBZZIEAOAXAKQS-UXHICEINSA-N 2 1 346.519 1.937 20 10 EDCDMP CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841006592 594838010 /nfs/dbraw/zinc/83/80/10/594838010.db2.gz WSIOEFXXFSDNDR-QGZVFWFLSA-N 2 1 332.492 1.772 20 10 EDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1F ZINC000841100078 594850958 /nfs/dbraw/zinc/85/09/58/594850958.db2.gz SXGQXWCCEYLXTD-HNNXBMFYSA-N 2 1 332.427 1.779 20 10 EDCDMP O[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C[NH+]1CCCC1 ZINC000863564471 596619755 /nfs/dbraw/zinc/61/97/55/596619755.db2.gz XSCXUUUNJDOWIO-IBGZPJMESA-N 2 1 333.476 1.194 20 10 EDCDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(O)c1O ZINC000272768477 443438161 /nfs/dbraw/zinc/43/81/61/443438161.db2.gz MNICDLXBHRRECV-OAHLLOKOSA-N 2 1 349.475 1.894 20 10 EDCDMP CN(C)c1ccc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1F ZINC000271192637 443494634 /nfs/dbraw/zinc/49/46/34/443494634.db2.gz QWGALTBRXZAFSZ-GOSISDBHSA-N 2 1 348.466 1.630 20 10 EDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000282150642 444098326 /nfs/dbraw/zinc/09/83/26/444098326.db2.gz CSHNRHTUQWWJSL-AWEZNQCLSA-N 2 1 349.475 1.855 20 10 EDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282150642 444098329 /nfs/dbraw/zinc/09/83/29/444098329.db2.gz CSHNRHTUQWWJSL-AWEZNQCLSA-N 2 1 349.475 1.855 20 10 EDCDMP CN(C)c1ccc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000365834175 446361272 /nfs/dbraw/zinc/36/12/72/446361272.db2.gz BEHGSEZVHXVBFI-GOSISDBHSA-N 2 1 330.476 1.667 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CC(N)=O)cc2)CC1 ZINC000775664597 580396669 /nfs/dbraw/zinc/39/66/69/580396669.db2.gz NGOACFVFHAIKBT-SFHVURJKSA-N 2 1 330.476 1.668 20 10 EDCDMP CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000824576388 594041331 /nfs/dbraw/zinc/04/13/31/594041331.db2.gz LOGXUEDFHJMSGU-GOSISDBHSA-N 2 1 346.475 1.711 20 10 EDCDMP CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000844225518 595309130 /nfs/dbraw/zinc/30/91/30/595309130.db2.gz CXDICLUPLVLIJL-QGZVFWFLSA-N 2 1 332.492 1.689 20 10 EDCDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc3c(cc2O)OCO3)C1 ZINC000844911981 595412576 /nfs/dbraw/zinc/41/25/76/595412576.db2.gz QOABTJSLQKKHGC-FMKPAKJESA-N 2 1 334.416 1.982 20 10 EDCDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000879653902 597675944 /nfs/dbraw/zinc/67/59/44/597675944.db2.gz XKYBJTIESRMWRR-JKSUJKDBSA-N 2 1 349.475 1.516 20 10 EDCDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000922387644 711428245 /nfs/dbraw/zinc/42/82/45/711428245.db2.gz MCQAOQDGJLLWOP-LRHNDGHRSA-N 2 1 348.443 1.690 20 10 EDCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2c(cc1O)OCO2 ZINC000363511919 250186198 /nfs/dbraw/zinc/18/61/98/250186198.db2.gz QVAKMVADJFVAOW-IJEWVQPXSA-N 2 1 334.416 1.804 20 10 EDCDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2c(cc1O)OCO2 ZINC000363511919 250186201 /nfs/dbraw/zinc/18/62/01/250186201.db2.gz QVAKMVADJFVAOW-IJEWVQPXSA-N 2 1 334.416 1.804 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](n4cncn4)C3)cc2)CC1 ZINC000777223495 580437577 /nfs/dbraw/zinc/43/75/77/580437577.db2.gz ZUEWXFHOKQEVBU-GOSISDBHSA-N 2 1 326.448 1.477 20 10 EDCDMP CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775675723 580396941 /nfs/dbraw/zinc/39/69/41/580396941.db2.gz ABXHAUGOSGLYFH-GOSISDBHSA-N 2 1 330.476 1.395 20 10 EDCDMP CC(C)[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775675723 580396942 /nfs/dbraw/zinc/39/69/42/580396942.db2.gz ABXHAUGOSGLYFH-GOSISDBHSA-N 2 1 330.476 1.395 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](OCCO)C3)cc2)CC1 ZINC000775687882 580397279 /nfs/dbraw/zinc/39/72/79/580397279.db2.gz JVGWDOCRGOUQGU-LJQANCHMSA-N 2 1 333.476 1.412 20 10 EDCDMP COc1ccc(N2CC[NH+](CCCN[C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000817897893 593646957 /nfs/dbraw/zinc/64/69/57/593646957.db2.gz XMRUDEBHGKHHRL-MRXNPFEDSA-N 2 1 332.492 1.405 20 10 EDCDMP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(N2CCCCC2)cc1 ZINC000843047351 595272812 /nfs/dbraw/zinc/27/28/12/595272812.db2.gz RNHWMTVPPPKLQK-UHFFFAOYSA-N 2 1 330.476 1.541 20 10 EDCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000843048289 595273553 /nfs/dbraw/zinc/27/35/53/595273553.db2.gz XMGRQSLSSGZGLU-QGZVFWFLSA-N 2 1 332.492 1.820 20 10 EDCDMP COc1cccc(O)c1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843058538 595276469 /nfs/dbraw/zinc/27/64/69/595276469.db2.gz VEKMXYQQZLLKJG-ZBFHGGJFSA-N 2 1 347.459 1.481 20 10 EDCDMP C[N@@H+](CCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000883399636 597732394 /nfs/dbraw/zinc/73/23/94/597732394.db2.gz SDXIMQIYLSPDAR-UHFFFAOYSA-N 2 1 345.491 1.332 20 10 EDCDMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648846 580396248 /nfs/dbraw/zinc/39/62/48/580396248.db2.gz GRBJSWKBZKLUHE-DOTOQJQBSA-N 2 1 330.476 1.524 20 10 EDCDMP CC(=O)N1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC000780892639 580536710 /nfs/dbraw/zinc/53/67/10/580536710.db2.gz JNEFEPSRLYVKHJ-UHFFFAOYSA-N 2 1 344.503 1.881 20 10 EDCDMP CN(C)c1ccc([C@@H](CNC(=O)N2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000899100603 591689902 /nfs/dbraw/zinc/68/99/02/591689902.db2.gz AXYPRZLQDCUVIB-QGZVFWFLSA-N 2 1 333.480 1.312 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3[C@H]3CCCO3)cc2)CC1 ZINC000809698161 593355893 /nfs/dbraw/zinc/35/58/93/593355893.db2.gz AOPBJFOAIRZPNF-VQTJNVASSA-N 2 1 345.487 1.818 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H]3[C@H]3CCCO3)cc2)CC1 ZINC000809698161 593355895 /nfs/dbraw/zinc/35/58/95/593355895.db2.gz AOPBJFOAIRZPNF-VQTJNVASSA-N 2 1 345.487 1.818 20 10 EDCDMP COc1c(O)c(C[NH+]2CCC(OCCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000843056582 595276305 /nfs/dbraw/zinc/27/63/05/595276305.db2.gz RBEPMTRUWDBNCJ-UHFFFAOYSA-N 2 1 339.392 1.639 20 10 EDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000844222333 595306999 /nfs/dbraw/zinc/30/69/99/595306999.db2.gz BGGBBYAWINFBEZ-SZMVWBNQSA-N 2 1 330.476 1.428 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2)CC1 ZINC000863651836 596644561 /nfs/dbraw/zinc/64/45/61/596644561.db2.gz NGSCOQCGGBPUJG-BGYRXZFFSA-N 3 1 328.504 1.870 20 10 EDCDMP C[NH+]1CCN(c2ccc(CN3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2)CC1 ZINC000863651836 596644562 /nfs/dbraw/zinc/64/45/62/596644562.db2.gz NGSCOQCGGBPUJG-BGYRXZFFSA-N 2 1 328.504 1.870 20 10 EDCDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000879653901 597675804 /nfs/dbraw/zinc/67/58/04/597675804.db2.gz XKYBJTIESRMWRR-HOTGVXAUSA-N 2 1 349.475 1.516 20 10 EDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000273428391 443571242 /nfs/dbraw/zinc/57/12/42/443571242.db2.gz UZDIMFUKBYRYNV-AWEZNQCLSA-N 2 1 349.475 1.855 20 10 EDCDMP CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000892237913 590880788 /nfs/dbraw/zinc/88/07/88/590880788.db2.gz TYPQOSNVQIZDSU-SJLPKXTDSA-N 2 1 347.507 1.749 20 10 EDCDMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841891112 594974588 /nfs/dbraw/zinc/97/45/88/594974588.db2.gz IUQBHYGECJJWPK-QZTJIDSGSA-N 2 1 346.519 1.325 20 10 EDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)CN1CCO ZINC000841891112 594974590 /nfs/dbraw/zinc/97/45/90/594974590.db2.gz IUQBHYGECJJWPK-QZTJIDSGSA-N 2 1 346.519 1.325 20 10 EDCDMP Oc1c(Br)cccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843121084 595292086 /nfs/dbraw/zinc/29/20/86/595292086.db2.gz FEZLSIHVLKPBOJ-ZDUSSCGKSA-N 2 1 340.265 1.634 20 10 EDCDMP Oc1c(Br)cccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843121084 595292089 /nfs/dbraw/zinc/29/20/89/595292089.db2.gz FEZLSIHVLKPBOJ-ZDUSSCGKSA-N 2 1 340.265 1.634 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)CC2)cc1 ZINC000844221760 595306606 /nfs/dbraw/zinc/30/66/06/595306606.db2.gz VIFMGSRJJRFOCZ-JKSUJKDBSA-N 2 1 346.475 1.013 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)CC2)cc1 ZINC000844221760 595306608 /nfs/dbraw/zinc/30/66/08/595306608.db2.gz VIFMGSRJJRFOCZ-JKSUJKDBSA-N 2 1 346.475 1.013 20 10 EDCDMP CN(C)c1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1F ZINC000872255724 596856714 /nfs/dbraw/zinc/85/67/14/596856714.db2.gz LKAXJYXAOVWMIH-XKQJLSEDSA-N 2 1 348.422 1.259 20 10 EDCDMP CCOc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(O)c1 ZINC000872255491 596856766 /nfs/dbraw/zinc/85/67/66/596856766.db2.gz YKICYWGOUCEJBA-UNEWFSDZSA-N 2 1 347.415 1.158 20 10 EDCDMP COc1ncncc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283651 597699677 /nfs/dbraw/zinc/69/96/77/597699677.db2.gz NDSNFIRPJGDELG-UHFFFAOYSA-N 2 1 327.432 1.527 20 10 EDCDMP CN(C)c1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000881272162 598114722 /nfs/dbraw/zinc/11/47/22/598114722.db2.gz OUYPPYSJFSXJDK-UHFFFAOYSA-N 2 1 328.464 1.358 20 10 EDCDMP CN(C)c1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1F ZINC000271192638 443495106 /nfs/dbraw/zinc/49/51/06/443495106.db2.gz QWGALTBRXZAFSZ-SFHVURJKSA-N 2 1 348.466 1.630 20 10 EDCDMP CCC(=O)N1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775658016 580396550 /nfs/dbraw/zinc/39/65/50/580396550.db2.gz LFAMSYXCVWNKDG-UHFFFAOYSA-N 2 1 344.503 1.883 20 10 EDCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903731887 592288143 /nfs/dbraw/zinc/28/81/43/592288143.db2.gz ARPWBCTYQFHKDE-WOJBJXKFSA-N 2 1 345.487 1.724 20 10 EDCDMP COc1ccc(N2CC[NH+](CCN[C@H](C)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000817892458 593646088 /nfs/dbraw/zinc/64/60/88/593646088.db2.gz AEGASODEPWMWSR-APWZRJJASA-N 2 1 332.492 1.547 20 10 EDCDMP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817945719 593650949 /nfs/dbraw/zinc/65/09/49/593650949.db2.gz KHPXEHVDJJUHOX-VIFPVBQESA-N 2 1 332.231 1.781 20 10 EDCDMP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817945500 593651172 /nfs/dbraw/zinc/65/11/72/593651172.db2.gz FDGJOCZBFQYCDU-JTQLQIEISA-N 2 1 331.338 1.493 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000843059308 595277115 /nfs/dbraw/zinc/27/71/15/595277115.db2.gz JZVALHHQKUIFFF-YSIASYRMSA-N 3 1 328.504 1.998 20 10 EDCDMP CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000843059308 595277118 /nfs/dbraw/zinc/27/71/18/595277118.db2.gz JZVALHHQKUIFFF-YSIASYRMSA-N 2 1 328.504 1.998 20 10 EDCDMP CN1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000843059308 595277119 /nfs/dbraw/zinc/27/71/19/595277119.db2.gz JZVALHHQKUIFFF-YSIASYRMSA-N 2 1 328.504 1.998 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2)CC1 ZINC000844902627 595410492 /nfs/dbraw/zinc/41/04/92/595410492.db2.gz UDIUQQATVKFEIS-ICSRJNTNSA-N 3 1 328.504 1.999 20 10 EDCDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882985061 597607022 /nfs/dbraw/zinc/60/70/22/597607022.db2.gz FMCJZXXZDXKFIG-LLVKDONJSA-N 2 1 327.375 1.347 20 10 EDCDMP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000883177720 597677569 /nfs/dbraw/zinc/67/75/69/597677569.db2.gz GUCJZWIMMXTEDQ-QGZVFWFLSA-N 2 1 345.491 1.332 20 10 EDCDMP COc1cccc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1O ZINC000922389206 711436071 /nfs/dbraw/zinc/43/60/71/711436071.db2.gz SGRKMSKCKCACLR-RGCFKVTRSA-N 2 1 334.460 1.970 20 10 EDCDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000130775448 237217637 /nfs/dbraw/zinc/21/76/37/237217637.db2.gz GEMLYFUSMFXWKC-UHFFFAOYSA-N 2 1 343.475 1.896 20 10 EDCDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000130775448 237217648 /nfs/dbraw/zinc/21/76/48/237217648.db2.gz GEMLYFUSMFXWKC-UHFFFAOYSA-N 2 1 343.475 1.896 20 10 EDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000274613149 443607978 /nfs/dbraw/zinc/60/79/78/443607978.db2.gz KOJSKBWHZUCORN-HUUCEWRRSA-N 2 1 349.475 1.855 20 10 EDCDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)C1 ZINC000768444612 580212908 /nfs/dbraw/zinc/21/29/08/580212908.db2.gz ASLZGRAVMDTMTE-CRAIPNDOSA-N 2 1 347.459 1.030 20 10 EDCDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4c(cc3O)OC[C@H]4O)CC2)C1 ZINC000768444612 580212909 /nfs/dbraw/zinc/21/29/09/580212909.db2.gz ASLZGRAVMDTMTE-CRAIPNDOSA-N 2 1 347.459 1.030 20 10 EDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C(N)=O)C1 ZINC000779200522 580480970 /nfs/dbraw/zinc/48/09/70/580480970.db2.gz IDXPSZVPJVGZAK-MAUKXSAKSA-N 2 1 330.476 1.524 20 10 EDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1(O)CCOCC1 ZINC000783715131 580604639 /nfs/dbraw/zinc/60/46/39/580604639.db2.gz HLGMUHUUVIDBCZ-UHFFFAOYSA-N 2 1 333.476 1.412 20 10 EDCDMP C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1C[NH2+]C1 ZINC000817917073 593648417 /nfs/dbraw/zinc/64/84/17/593648417.db2.gz MWRDZOFVXHDISC-MRXNPFEDSA-N 2 1 328.504 1.916 20 10 EDCDMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817981663 593653283 /nfs/dbraw/zinc/65/32/83/593653283.db2.gz UMTZUXLXNANGIS-HOCLYGCPSA-N 2 1 337.439 1.691 20 10 EDCDMP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846256 594963972 /nfs/dbraw/zinc/96/39/72/594963972.db2.gz NMTNTFVNWCJDBY-FUHWJXTLSA-N 2 1 342.443 1.577 20 10 EDCDMP Cc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1O ZINC000843056928 595276053 /nfs/dbraw/zinc/27/60/53/595276053.db2.gz CMHCLHPOWTVGJW-NVXWUHKLSA-N 2 1 331.460 1.781 20 10 EDCDMP COc1cc(O)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000843125431 595293274 /nfs/dbraw/zinc/29/32/74/595293274.db2.gz WFNMUDFLNGCNCD-CQSZACIVSA-N 2 1 336.432 1.597 20 10 EDCDMP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000872255564 596856473 /nfs/dbraw/zinc/85/64/73/596856473.db2.gz ZFWJLHLGRAJNKF-GUTXKFCHSA-N 2 1 337.807 1.413 20 10 EDCDMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506157 597224558 /nfs/dbraw/zinc/22/45/58/597224558.db2.gz GHTCTZDGJONEMR-MRXNPFEDSA-N 2 1 329.448 1.889 20 10 EDCDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000922387653 711428059 /nfs/dbraw/zinc/42/80/59/711428059.db2.gz MCQAOQDGJLLWOP-OYYCAODRSA-N 2 1 348.443 1.690 20 10 EDCDMP COc1ccc(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000375018622 250277012 /nfs/dbraw/zinc/27/70/12/250277012.db2.gz JUZMEOCRAWYMDX-QAPCUYQASA-N 2 1 333.476 1.859 20 10 EDCDMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517410 592009373 /nfs/dbraw/zinc/00/93/73/592009373.db2.gz LTSSPCOGLWQQFJ-QZHFEQFPSA-N 2 1 334.508 1.697 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000829505373 594627773 /nfs/dbraw/zinc/62/77/73/594627773.db2.gz LTTSLSCWIVWKNV-GOSISDBHSA-N 2 1 346.475 1.061 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)cc2)CC1 ZINC000827132310 594645808 /nfs/dbraw/zinc/64/58/08/594645808.db2.gz KUUGOIFRNVLART-HKUYNNGSSA-N 2 1 342.487 1.539 20 10 EDCDMP COc1ccc(N2CCN(C[C@H](O)C[N@H+]3CC[C@H]3C3CC3)CC2)cc1 ZINC000834383512 595107297 /nfs/dbraw/zinc/10/72/97/595107297.db2.gz UJXIZSOZTHGFFL-ICSRJNTNSA-N 2 1 345.487 1.662 20 10 EDCDMP COc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC000846145356 595156412 /nfs/dbraw/zinc/15/64/12/595156412.db2.gz NMTIPVGPHOCAJL-KGLIPLIRSA-N 2 1 335.448 1.639 20 10 EDCDMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCCc3cc(C[NH3+])ccc32)CC1 ZINC000844219598 595305418 /nfs/dbraw/zinc/30/54/18/595305418.db2.gz LWUYJZMEHJVXBI-HNNXBMFYSA-N 2 1 330.476 1.451 20 10 EDCDMP COc1cc(Br)cc(C[N@@H+](C)CCOCC[NH3+])c1O ZINC000863649387 596644835 /nfs/dbraw/zinc/64/48/35/596644835.db2.gz CTWABWTYJVYJPS-UHFFFAOYSA-N 2 1 333.226 1.570 20 10 EDCDMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000377693648 250291349 /nfs/dbraw/zinc/29/13/49/250291349.db2.gz HKAQZUILYUNAFW-INIZCTEOSA-N 2 1 347.459 1.723 20 10 EDCDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000377693648 250291352 /nfs/dbraw/zinc/29/13/52/250291352.db2.gz HKAQZUILYUNAFW-INIZCTEOSA-N 2 1 347.459 1.723 20 10 EDCDMP COc1cc(O)c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1OC ZINC000290189132 444253069 /nfs/dbraw/zinc/25/30/69/444253069.db2.gz OLPQLEGWKYZRDJ-UHFFFAOYSA-N 2 1 339.480 1.725 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)cc2)CC1 ZINC000787423448 580695114 /nfs/dbraw/zinc/69/51/14/580695114.db2.gz NEOKVHKLRSNUFT-YTQUADARSA-N 2 1 342.487 1.524 20 10 EDCDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893979128 591154658 /nfs/dbraw/zinc/15/46/58/591154658.db2.gz YNIKIXGWLKEWCN-UHFFFAOYSA-N 2 1 341.402 1.560 20 10 EDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C2 ZINC000903977380 592399300 /nfs/dbraw/zinc/39/93/00/592399300.db2.gz QARQEVJFYVBLSY-JNEWFMBGSA-N 2 1 343.471 1.978 20 10 EDCDMP O[C@@H]1CC[N@H+](C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000827700852 594260183 /nfs/dbraw/zinc/26/01/83/594260183.db2.gz YESDBNPVUNTVDH-HXUWFJFHSA-N 2 1 345.487 1.554 20 10 EDCDMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000827700852 594260184 /nfs/dbraw/zinc/26/01/84/594260184.db2.gz YESDBNPVUNTVDH-HXUWFJFHSA-N 2 1 345.487 1.554 20 10 EDCDMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1 ZINC000827700852 594260185 /nfs/dbraw/zinc/26/01/85/594260185.db2.gz YESDBNPVUNTVDH-HXUWFJFHSA-N 2 1 345.487 1.554 20 10 EDCDMP CC[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000844223033 595307374 /nfs/dbraw/zinc/30/73/74/595307374.db2.gz PIHSOJZDHLWFPR-WMZOPIPTSA-N 2 1 332.492 1.770 20 10 EDCDMP CC[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000844223033 595307376 /nfs/dbraw/zinc/30/73/76/595307376.db2.gz PIHSOJZDHLWFPR-WMZOPIPTSA-N 2 1 332.492 1.770 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000844223322 595307855 /nfs/dbraw/zinc/30/78/55/595307855.db2.gz YJLUMQLCLAXLLS-CVEARBPZSA-N 2 1 346.475 1.013 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000844223322 595307857 /nfs/dbraw/zinc/30/78/57/595307857.db2.gz YJLUMQLCLAXLLS-CVEARBPZSA-N 2 1 346.475 1.013 20 10 EDCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852746112 596237542 /nfs/dbraw/zinc/23/75/42/596237542.db2.gz IMJFIPFBDRYHLH-SFHVURJKSA-N 2 1 331.460 1.476 20 10 EDCDMP CC(C)n1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000883283653 597699855 /nfs/dbraw/zinc/69/98/55/597699855.db2.gz NFYPLGBJQGSDRB-UHFFFAOYSA-N 2 1 328.464 1.901 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CC(N)=O)C3CCCC3)cc2)CC1 ZINC000775649296 580396236 /nfs/dbraw/zinc/39/62/36/580396236.db2.gz NREDLJFFWGLINL-UHFFFAOYSA-N 2 1 330.476 1.668 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[NH+]3CCN(CC(F)F)CC3)cc2)CC1 ZINC000775663855 580396625 /nfs/dbraw/zinc/39/66/25/580396625.db2.gz FMQGWDHWDMLKEH-UHFFFAOYSA-N 2 1 338.446 1.821 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CCC(N)=O)C3)cc2)CC1 ZINC000775666113 580396716 /nfs/dbraw/zinc/39/67/16/580396716.db2.gz SPLOCLVVVJJXHE-QGZVFWFLSA-N 2 1 344.503 1.916 20 10 EDCDMP COC(=O)N[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000895848387 591287388 /nfs/dbraw/zinc/28/73/88/591287388.db2.gz MXFVGFQDLMZDFP-INIZCTEOSA-N 2 1 332.448 1.369 20 10 EDCDMP Cc1cc(Br)c(O)c(C[NH+]2CCC(O)(C[NH3+])CC2)c1 ZINC000841108385 594852059 /nfs/dbraw/zinc/85/20/59/594852059.db2.gz YGBVIMWCTXFPJY-UHFFFAOYSA-N 2 1 329.238 1.749 20 10 EDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000844222930 595307639 /nfs/dbraw/zinc/30/76/39/595307639.db2.gz NNPAFYVMFLYPID-QXAKKESOSA-N 2 1 344.503 1.770 20 10 EDCDMP CCc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000848894070 595464131 /nfs/dbraw/zinc/46/41/31/595464131.db2.gz GCCGZFUDLLHCRU-QGZVFWFLSA-N 2 1 333.476 1.987 20 10 EDCDMP CCc1cccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000848894070 595464135 /nfs/dbraw/zinc/46/41/35/595464135.db2.gz GCCGZFUDLLHCRU-QGZVFWFLSA-N 2 1 333.476 1.987 20 10 EDCDMP COc1cc(O)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1OC ZINC000289409281 444133487 /nfs/dbraw/zinc/13/34/87/444133487.db2.gz HNXICUAVGIREQB-UHFFFAOYSA-N 2 1 337.464 1.479 20 10 EDCDMP COc1ccc(N2CCC[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903736025 592298925 /nfs/dbraw/zinc/29/89/25/592298925.db2.gz FZKLYWWKLFKFTP-PMACEKPBSA-N 2 1 345.487 1.976 20 10 EDCDMP COc1cc(O)c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000827700669 594260217 /nfs/dbraw/zinc/26/02/17/594260217.db2.gz WQIISHYXAGHJSS-HNNXBMFYSA-N 2 1 336.432 1.440 20 10 EDCDMP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844226222 595309692 /nfs/dbraw/zinc/30/96/92/595309692.db2.gz KGZUWCNJHRNPJF-WBVHZDCISA-N 2 1 332.492 1.628 20 10 EDCDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844226222 595309693 /nfs/dbraw/zinc/30/96/93/595309693.db2.gz KGZUWCNJHRNPJF-WBVHZDCISA-N 2 1 332.492 1.628 20 10 EDCDMP CN(C)c1cc[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000766108501 580159416 /nfs/dbraw/zinc/15/94/16/580159416.db2.gz OWDSCHOKLLSCCG-UHFFFAOYSA-N 2 1 326.448 1.907 20 10 EDCDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891250560 591018506 /nfs/dbraw/zinc/01/85/06/591018506.db2.gz AUAIHWPGWUBJHS-ZWKOTPCHSA-N 2 1 348.491 1.192 20 10 EDCDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891250560 591018512 /nfs/dbraw/zinc/01/85/12/591018512.db2.gz AUAIHWPGWUBJHS-ZWKOTPCHSA-N 2 1 348.491 1.192 20 10 EDCDMP C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895119069 591598853 /nfs/dbraw/zinc/59/88/53/591598853.db2.gz UPYTWMJZSRDTJW-HRCADAONSA-N 2 1 330.476 1.536 20 10 EDCDMP C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895119069 591598856 /nfs/dbraw/zinc/59/88/56/591598856.db2.gz UPYTWMJZSRDTJW-HRCADAONSA-N 2 1 330.476 1.536 20 10 EDCDMP C[C@@H]1[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@H+]1C ZINC000900864153 592150656 /nfs/dbraw/zinc/15/06/56/592150656.db2.gz VVHAVOFQMHRCGF-FHLIZLRMSA-N 2 1 332.492 1.812 20 10 EDCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000843046890 595273168 /nfs/dbraw/zinc/27/31/68/595273168.db2.gz HTIUWDYRSYEEOV-HNNXBMFYSA-N 2 1 347.459 1.435 20 10 EDCDMP Cc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000863642712 596641299 /nfs/dbraw/zinc/64/12/99/596641299.db2.gz WAVOUVOILMONSE-UHFFFAOYSA-N 2 1 345.491 1.204 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[NH2+][C@@H]3C[C@@H]([NH3+])C3(C)C)CC2)cc1 ZINC000883442486 597748678 /nfs/dbraw/zinc/74/86/78/597748678.db2.gz MDBBOKVJFRJEQS-IAGOWNOFSA-N 2 1 346.475 1.059 20 10 EDCDMP CC[C@@H](c1ccccc1O)[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000368811698 447124681 /nfs/dbraw/zinc/12/46/81/447124681.db2.gz YZRDKTDUJQETDU-AEFFLSMTSA-N 2 1 333.476 1.792 20 10 EDCDMP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000756407642 579949576 /nfs/dbraw/zinc/94/95/76/579949576.db2.gz DTSKCAOQOGVDQD-OAHLLOKOSA-N 2 1 349.475 1.857 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC(=O)N[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000775665932 580396657 /nfs/dbraw/zinc/39/66/57/580396657.db2.gz OGQYOFHFNMYGLS-MOPGFXCFSA-N 2 1 342.487 1.681 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(=O)N[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000775665932 580396658 /nfs/dbraw/zinc/39/66/58/580396658.db2.gz OGQYOFHFNMYGLS-MOPGFXCFSA-N 2 1 342.487 1.681 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000775736615 580399087 /nfs/dbraw/zinc/39/90/87/580399087.db2.gz CBPHXWPWRZGGAT-VQTJNVASSA-N 2 1 345.487 1.818 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000775736615 580399088 /nfs/dbraw/zinc/39/90/88/580399088.db2.gz CBPHXWPWRZGGAT-VQTJNVASSA-N 2 1 345.487 1.818 20 10 EDCDMP CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779214614 580481282 /nfs/dbraw/zinc/48/12/82/580481282.db2.gz CKWDOWUGOJEYMA-IBGZPJMESA-N 2 1 344.503 1.881 20 10 EDCDMP CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779214614 580481283 /nfs/dbraw/zinc/48/12/83/580481283.db2.gz CKWDOWUGOJEYMA-IBGZPJMESA-N 2 1 344.503 1.881 20 10 EDCDMP CN(C)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C(F)(F)F)c1 ZINC000793082924 580835451 /nfs/dbraw/zinc/83/54/51/580835451.db2.gz RDVTWNCJJFNPII-HNNXBMFYSA-N 2 1 331.382 1.928 20 10 EDCDMP CN(C)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C(F)(F)F)c1 ZINC000793082924 580835452 /nfs/dbraw/zinc/83/54/52/580835452.db2.gz RDVTWNCJJFNPII-HNNXBMFYSA-N 2 1 331.382 1.928 20 10 EDCDMP COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000819378928 593752602 /nfs/dbraw/zinc/75/26/02/593752602.db2.gz AFHUNPVXUOSLPN-QAPCUYQASA-N 2 1 333.476 1.566 20 10 EDCDMP COc1ccc(N2CC[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000819378928 593752603 /nfs/dbraw/zinc/75/26/03/593752603.db2.gz AFHUNPVXUOSLPN-QAPCUYQASA-N 2 1 333.476 1.566 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000852806138 595550562 /nfs/dbraw/zinc/55/05/62/595550562.db2.gz RPXLLLFNJBJVJY-MSOLQXFVSA-N 2 1 346.475 1.061 20 10 EDCDMP COc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1Cn1cccn1 ZINC000873020031 597162549 /nfs/dbraw/zinc/16/25/49/597162549.db2.gz BNMJXYWOXBTSKS-GOSISDBHSA-N 2 1 344.459 1.486 20 10 EDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000878865686 597739021 /nfs/dbraw/zinc/73/90/21/597739021.db2.gz AJDOVEATCSJNHC-UHFFFAOYSA-N 2 1 344.503 1.787 20 10 EDCDMP COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cc[nH+]c3C)CC2)cc1 ZINC000754073951 579895634 /nfs/dbraw/zinc/89/56/34/579895634.db2.gz DZJZNLUOXOGLAP-QGZVFWFLSA-N 2 1 330.432 1.383 20 10 EDCDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465505 580214086 /nfs/dbraw/zinc/21/40/86/580214086.db2.gz IEVHYYBGLRYQAS-KSSFIOAISA-N 2 1 332.444 1.982 20 10 EDCDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465505 580214087 /nfs/dbraw/zinc/21/40/87/580214087.db2.gz IEVHYYBGLRYQAS-KSSFIOAISA-N 2 1 332.444 1.982 20 10 EDCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465505 580214088 /nfs/dbraw/zinc/21/40/88/580214088.db2.gz IEVHYYBGLRYQAS-KSSFIOAISA-N 2 1 332.444 1.982 20 10 EDCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465505 580214089 /nfs/dbraw/zinc/21/40/89/580214089.db2.gz IEVHYYBGLRYQAS-KSSFIOAISA-N 2 1 332.444 1.982 20 10 EDCDMP COC(=O)[C@@]1(F)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775735804 580399022 /nfs/dbraw/zinc/39/90/22/580399022.db2.gz XXNHQHCMXFQONS-GOSISDBHSA-N 2 1 335.423 1.525 20 10 EDCDMP COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775735804 580399023 /nfs/dbraw/zinc/39/90/23/580399023.db2.gz XXNHQHCMXFQONS-GOSISDBHSA-N 2 1 335.423 1.525 20 10 EDCDMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902517385 592009247 /nfs/dbraw/zinc/00/92/47/592009247.db2.gz LJGLEOHHSPEUIT-HHXXYDBFSA-N 2 1 334.508 1.712 20 10 EDCDMP COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000819378929 593752590 /nfs/dbraw/zinc/75/25/90/593752590.db2.gz AFHUNPVXUOSLPN-YJBOKZPZSA-N 2 1 333.476 1.566 20 10 EDCDMP COc1ccc(N2CC[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000819378929 593752591 /nfs/dbraw/zinc/75/25/91/593752591.db2.gz AFHUNPVXUOSLPN-YJBOKZPZSA-N 2 1 333.476 1.566 20 10 EDCDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844218895 595305209 /nfs/dbraw/zinc/30/52/09/595305209.db2.gz DUAGRFHTKDYSGM-RDJZCZTQSA-N 2 1 332.492 1.770 20 10 EDCDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844218895 595305211 /nfs/dbraw/zinc/30/52/11/595305211.db2.gz DUAGRFHTKDYSGM-RDJZCZTQSA-N 2 1 332.492 1.770 20 10 EDCDMP CCOc1cccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255423 596856614 /nfs/dbraw/zinc/85/66/14/596856614.db2.gz WQSPETCBHMDVCG-FMKPAKJESA-N 2 1 347.415 1.158 20 10 EDCDMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883160314 597672241 /nfs/dbraw/zinc/67/22/41/597672241.db2.gz MAQXGHBIQYBIET-GOSISDBHSA-N 2 1 349.519 1.830 20 10 EDCDMP C[C@@H]1[C@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@H+]1C ZINC000896618680 591554431 /nfs/dbraw/zinc/55/44/31/591554431.db2.gz RBVIGKTVRSWHKJ-ZTFGCOKTSA-N 2 1 347.507 1.747 20 10 EDCDMP CN(C)c1ccc([C@@H](CNC[C@@H](O)C[N@@H+](C)C2CC2)[NH+](C)C)cc1 ZINC000905703275 592616304 /nfs/dbraw/zinc/61/63/04/592616304.db2.gz HJORPCAHKAXDDM-RTBURBONSA-N 2 1 334.508 1.400 20 10 EDCDMP C[C@@H]([NH3+])c1nc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000911665957 592973635 /nfs/dbraw/zinc/97/36/35/592973635.db2.gz GDPHXLMZGABPNG-ZWNOBZJWSA-N 2 1 333.461 1.659 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4NC(=O)CC[C@@H]4C3)cc2)CC1 ZINC000827132311 594645627 /nfs/dbraw/zinc/64/56/27/594645627.db2.gz KUUGOIFRNVLART-IEBWSBKVSA-N 2 1 342.487 1.539 20 10 EDCDMP C[NH+]1CCN(c2ncc(C[NH2+]CCc3ccc(N)cc3)cn2)CC1 ZINC000841034706 594842596 /nfs/dbraw/zinc/84/25/96/594842596.db2.gz JSZXIKOCWAURHY-UHFFFAOYSA-N 2 1 326.448 1.143 20 10 EDCDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843048138 595273613 /nfs/dbraw/zinc/27/36/13/595273613.db2.gz OYBJXBJYIQALKJ-SNVBAGLBSA-N 2 1 329.803 1.472 20 10 EDCDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843048138 595273615 /nfs/dbraw/zinc/27/36/15/595273615.db2.gz OYBJXBJYIQALKJ-SNVBAGLBSA-N 2 1 329.803 1.472 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000844223324 595307725 /nfs/dbraw/zinc/30/77/25/595307725.db2.gz YJLUMQLCLAXLLS-HZPDHXFCSA-N 2 1 346.475 1.013 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000844223324 595307727 /nfs/dbraw/zinc/30/77/27/595307727.db2.gz YJLUMQLCLAXLLS-HZPDHXFCSA-N 2 1 346.475 1.013 20 10 EDCDMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000853625649 595837992 /nfs/dbraw/zinc/83/79/92/595837992.db2.gz UTBPGSZBPOKYGV-RHSMWYFYSA-N 2 1 336.432 1.361 20 10 EDCDMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000853625649 595837995 /nfs/dbraw/zinc/83/79/95/595837995.db2.gz UTBPGSZBPOKYGV-RHSMWYFYSA-N 2 1 336.432 1.361 20 10 EDCDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1ccccc1O ZINC000363535342 250185667 /nfs/dbraw/zinc/18/56/67/250185667.db2.gz RUUOWAGRYULNEL-UHFFFAOYSA-N 2 1 343.475 1.866 20 10 EDCDMP Oc1cc2c(cc1C[NH+]1CCN(CC[NH+]3CCCC3)CC1)OCO2 ZINC000119536099 441940040 /nfs/dbraw/zinc/94/00/40/441940040.db2.gz YZNQTYSZCQNHTL-UHFFFAOYSA-N 2 1 333.432 1.334 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]34CCOC4=O)cc2)CC1 ZINC000779199321 580480910 /nfs/dbraw/zinc/48/09/10/580480910.db2.gz XVNQAKNNVYKFOB-LJQANCHMSA-N 2 1 329.444 1.720 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]34CCOC4=O)cc2)CC1 ZINC000779199321 580480911 /nfs/dbraw/zinc/48/09/11/580480911.db2.gz XVNQAKNNVYKFOB-LJQANCHMSA-N 2 1 329.444 1.720 20 10 EDCDMP C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CCO2 ZINC000793230041 580838946 /nfs/dbraw/zinc/83/89/46/580838946.db2.gz CNTVMFSDNOXENR-YLJYHZDGSA-N 2 1 345.487 1.818 20 10 EDCDMP COC(=O)N(C)CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000827341100 594662789 /nfs/dbraw/zinc/66/27/89/594662789.db2.gz YIWHBLNHHGWXPJ-UHFFFAOYSA-N 2 1 334.464 1.568 20 10 EDCDMP Fc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1N1CCOCC1 ZINC000843121149 595291695 /nfs/dbraw/zinc/29/16/95/595291695.db2.gz FYTZSCPCNOFBCM-QGZVFWFLSA-N 2 1 348.466 1.142 20 10 EDCDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(N)cc2)CC1 ZINC000844192489 595298319 /nfs/dbraw/zinc/29/83/19/595298319.db2.gz UPNKGDOTWHQSNK-UHFFFAOYSA-N 2 1 325.416 1.597 20 10 EDCDMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844223976 595307685 /nfs/dbraw/zinc/30/76/85/595307685.db2.gz DDPDSJSPOKABNK-BFYDXBDKSA-N 2 1 332.492 1.674 20 10 EDCDMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844223976 595307687 /nfs/dbraw/zinc/30/76/87/595307687.db2.gz DDPDSJSPOKABNK-BFYDXBDKSA-N 2 1 332.492 1.674 20 10 EDCDMP CC(C)C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)C(=O)NCC[NH+](C)C ZINC000883076639 597640534 /nfs/dbraw/zinc/64/05/34/597640534.db2.gz IQCCGOUDOCMHGP-HNNXBMFYSA-N 2 1 343.418 1.853 20 10 EDCDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000922387647 711428136 /nfs/dbraw/zinc/42/81/36/711428136.db2.gz MCQAOQDGJLLWOP-MDUILUSMSA-N 2 1 348.443 1.690 20 10 EDCDMP Cc1cc(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1C ZINC000093821070 237025924 /nfs/dbraw/zinc/02/59/24/237025924.db2.gz LBSPGNBKDWMTNA-KRWDZBQOSA-N 2 1 331.460 1.747 20 10 EDCDMP Cc1cc(O)c(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1C ZINC000093821070 237025928 /nfs/dbraw/zinc/02/59/28/237025928.db2.gz LBSPGNBKDWMTNA-KRWDZBQOSA-N 2 1 331.460 1.747 20 10 EDCDMP COc1ccc(N2CCN(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000268867137 443131236 /nfs/dbraw/zinc/13/12/36/443131236.db2.gz WTTQBLFRAAHSRI-ROUUACIJSA-N 2 1 346.519 1.890 20 10 EDCDMP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(C)c3O)CC2)C1 ZINC000371425837 446846450 /nfs/dbraw/zinc/84/64/50/446846450.db2.gz UYCUCODUOMAWAT-SFHVURJKSA-N 2 1 333.476 1.539 20 10 EDCDMP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(C)c3O)CC2)C1 ZINC000371425837 446846455 /nfs/dbraw/zinc/84/64/55/446846455.db2.gz UYCUCODUOMAWAT-SFHVURJKSA-N 2 1 333.476 1.539 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@]4(CCOC4)C3)cc2)CC1 ZINC000769555876 580239969 /nfs/dbraw/zinc/23/99/69/580239969.db2.gz JXUVLHRGFJZKLS-IBGZPJMESA-N 2 1 331.460 1.430 20 10 EDCDMP COCC[N@@H+](CCC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775699331 580397642 /nfs/dbraw/zinc/39/76/42/580397642.db2.gz DBIXJOKSXRTPQZ-UHFFFAOYSA-N 2 1 349.475 1.450 20 10 EDCDMP COc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1O ZINC000903980042 592400586 /nfs/dbraw/zinc/40/05/86/592400586.db2.gz DUXBBNMSMNKETL-CALCHBBNSA-N 2 1 331.460 1.801 20 10 EDCDMP COc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1O ZINC000903980042 592400590 /nfs/dbraw/zinc/40/05/90/592400590.db2.gz DUXBBNMSMNKETL-CALCHBBNSA-N 2 1 331.460 1.801 20 10 EDCDMP COc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1O ZINC000903980042 592400591 /nfs/dbraw/zinc/40/05/91/592400591.db2.gz DUXBBNMSMNKETL-CALCHBBNSA-N 2 1 331.460 1.801 20 10 EDCDMP COc1ccc(N2CCC([NH2+]C[C@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000819001774 593733320 /nfs/dbraw/zinc/73/33/20/593733320.db2.gz DZXIJUGHSZNFSA-SFHVURJKSA-N 2 1 333.476 1.709 20 10 EDCDMP COc1ccc(N2CCC([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000819001774 593733321 /nfs/dbraw/zinc/73/33/21/593733321.db2.gz DZXIJUGHSZNFSA-SFHVURJKSA-N 2 1 333.476 1.709 20 10 EDCDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000829296667 594594477 /nfs/dbraw/zinc/59/44/77/594594477.db2.gz LSFZUAJWPIHHOK-LJQANCHMSA-N 2 1 344.503 1.927 20 10 EDCDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c2ncnn21 ZINC000850352287 595816143 /nfs/dbraw/zinc/81/61/43/595816143.db2.gz REFCGPFVDUNZBT-PBHICJAKSA-N 2 1 326.448 1.826 20 10 EDCDMP C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367159386 250193362 /nfs/dbraw/zinc/19/33/62/250193362.db2.gz NJWVFUFVZAUYTA-HOCLYGCPSA-N 2 1 347.459 1.579 20 10 EDCDMP COc1cc(O)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000282305892 444143130 /nfs/dbraw/zinc/14/31/30/444143130.db2.gz MSIOCHWRJAAHGQ-UHFFFAOYSA-N 2 1 337.464 1.525 20 10 EDCDMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465500 580214108 /nfs/dbraw/zinc/21/41/08/580214108.db2.gz IEVHYYBGLRYQAS-KBXCAEBGSA-N 2 1 332.444 1.982 20 10 EDCDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465500 580214109 /nfs/dbraw/zinc/21/41/09/580214109.db2.gz IEVHYYBGLRYQAS-KBXCAEBGSA-N 2 1 332.444 1.982 20 10 EDCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465500 580214110 /nfs/dbraw/zinc/21/41/10/580214110.db2.gz IEVHYYBGLRYQAS-KBXCAEBGSA-N 2 1 332.444 1.982 20 10 EDCDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465500 580214111 /nfs/dbraw/zinc/21/41/11/580214111.db2.gz IEVHYYBGLRYQAS-KBXCAEBGSA-N 2 1 332.444 1.982 20 10 EDCDMP COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775727432 580398644 /nfs/dbraw/zinc/39/86/44/580398644.db2.gz RIMTWVAQBVOFMA-LJQANCHMSA-N 2 1 331.460 1.823 20 10 EDCDMP C[C@H](O)C[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000793588277 580848347 /nfs/dbraw/zinc/84/83/47/580848347.db2.gz IHPWXPGJTOZDKG-MSOLQXFVSA-N 2 1 346.519 1.325 20 10 EDCDMP CCOc1cccc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c1O ZINC000903978226 592399760 /nfs/dbraw/zinc/39/97/60/592399760.db2.gz BAJCIRSRUQBHNY-IYOUNJFTSA-N 2 1 334.416 1.503 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000843059301 595276014 /nfs/dbraw/zinc/27/60/14/595276014.db2.gz JZVALHHQKUIFFF-DFQSSKMNSA-N 3 1 328.504 1.998 20 10 EDCDMP CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000843059301 595276017 /nfs/dbraw/zinc/27/60/17/595276017.db2.gz JZVALHHQKUIFFF-DFQSSKMNSA-N 2 1 328.504 1.998 20 10 EDCDMP CN1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000843059301 595276020 /nfs/dbraw/zinc/27/60/20/595276020.db2.gz JZVALHHQKUIFFF-DFQSSKMNSA-N 2 1 328.504 1.998 20 10 EDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000843122361 595292518 /nfs/dbraw/zinc/29/25/18/595292518.db2.gz RAWIRXUAVJFFHG-GOSISDBHSA-N 2 1 332.492 1.881 20 10 EDCDMP CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000844225517 595309062 /nfs/dbraw/zinc/30/90/62/595309062.db2.gz CXDICLUPLVLIJL-KRWDZBQOSA-N 2 1 332.492 1.689 20 10 EDCDMP CN(C)c1ccc(C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C2CC2)cc1 ZINC000877976824 597567634 /nfs/dbraw/zinc/56/76/34/597567634.db2.gz KSLYIXCAKUPRMQ-UHFFFAOYSA-N 2 1 344.503 1.927 20 10 EDCDMP C[N@@H+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2ccccc2C1 ZINC000592958825 449081101 /nfs/dbraw/zinc/08/11/01/449081101.db2.gz LJLBVAKVGCZPKV-CQSZACIVSA-N 2 1 339.443 1.811 20 10 EDCDMP C[N@H+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c2ccccc2C1 ZINC000592958825 449081108 /nfs/dbraw/zinc/08/11/08/449081108.db2.gz LJLBVAKVGCZPKV-CQSZACIVSA-N 2 1 339.443 1.811 20 10 EDCDMP Fc1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)ccc1N1CCOCC1 ZINC000727469730 578529658 /nfs/dbraw/zinc/52/96/58/578529658.db2.gz DLJAHETYYYLIAK-HNNXBMFYSA-N 2 1 330.407 1.963 20 10 EDCDMP CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775698716 580397579 /nfs/dbraw/zinc/39/75/79/580397579.db2.gz WLNCFAAAMOXMFC-QGZVFWFLSA-N 2 1 330.476 1.396 20 10 EDCDMP COc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(O)c1OC ZINC000894253534 591249231 /nfs/dbraw/zinc/24/92/31/591249231.db2.gz KVGFJHVZQRATGP-UHFFFAOYSA-N 2 1 337.464 1.525 20 10 EDCDMP CN(C)c1ccc([C@H](CNC(=O)N2CCC[N@@H+](C)CC2)[NH+](C)C)cc1 ZINC000899102461 591682712 /nfs/dbraw/zinc/68/27/12/591682712.db2.gz PRDDJWWUODXSPN-SFHVURJKSA-N 2 1 347.507 1.702 20 10 EDCDMP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[N@H+]3C(C)(C)C)cc2)CC1 ZINC000899211868 591733608 /nfs/dbraw/zinc/73/36/08/591733608.db2.gz OBZBBRZTVPELBB-GOSISDBHSA-N 2 1 344.503 1.927 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000809698162 593355781 /nfs/dbraw/zinc/35/57/81/593355781.db2.gz AOPBJFOAIRZPNF-WOJBJXKFSA-N 2 1 345.487 1.818 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000809698162 593355783 /nfs/dbraw/zinc/35/57/83/593355783.db2.gz AOPBJFOAIRZPNF-WOJBJXKFSA-N 2 1 345.487 1.818 20 10 EDCDMP CC[C@H]([NH2+]CCN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817895188 593646339 /nfs/dbraw/zinc/64/63/39/593646339.db2.gz SBZZIEAOAXAKQS-PMACEKPBSA-N 2 1 346.519 1.937 20 10 EDCDMP CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(O)c1 ZINC000843047021 595272974 /nfs/dbraw/zinc/27/29/74/595272974.db2.gz LDEJCCNBCXZTKN-INIZCTEOSA-N 2 1 347.459 1.435 20 10 EDCDMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1)[C@@H]1CCC[NH2+]1 ZINC000843057916 595276457 /nfs/dbraw/zinc/27/64/57/595276457.db2.gz NYKAMJQJTNTNQK-BBRMVZONSA-N 2 1 335.423 1.612 20 10 EDCDMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1)[C@@H]1CCC[NH2+]1 ZINC000843057916 595276458 /nfs/dbraw/zinc/27/64/58/595276458.db2.gz NYKAMJQJTNTNQK-BBRMVZONSA-N 2 1 335.423 1.612 20 10 EDCDMP CN(C)c1ccc([C@H](CNC(=O)N[C@H]2CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000892237914 590881255 /nfs/dbraw/zinc/88/12/55/590881255.db2.gz TYPQOSNVQIZDSU-WMZOPIPTSA-N 2 1 347.507 1.749 20 10 EDCDMP CN(C)c1ccc(C[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903872769 592354305 /nfs/dbraw/zinc/35/43/05/592354305.db2.gz BYPIVAQYHAFXLZ-QGZVFWFLSA-N 2 1 328.464 1.901 20 10 EDCDMP CN(C)c1ccc(C[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903872769 592354309 /nfs/dbraw/zinc/35/43/09/592354309.db2.gz BYPIVAQYHAFXLZ-QGZVFWFLSA-N 2 1 328.464 1.901 20 10 EDCDMP COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000819378926 593752582 /nfs/dbraw/zinc/75/25/82/593752582.db2.gz AFHUNPVXUOSLPN-CRAIPNDOSA-N 2 1 333.476 1.566 20 10 EDCDMP COc1ccc(N2CC[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000819378926 593752583 /nfs/dbraw/zinc/75/25/83/593752583.db2.gz AFHUNPVXUOSLPN-CRAIPNDOSA-N 2 1 333.476 1.566 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]([NH3+])C3CCC3)CC2)cc1 ZINC000829499613 594626569 /nfs/dbraw/zinc/62/65/69/594626569.db2.gz BGFKEIGJLHQDIO-SFHVURJKSA-N 2 1 346.475 1.061 20 10 EDCDMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c(O)c1 ZINC000843122889 595292586 /nfs/dbraw/zinc/29/25/86/595292586.db2.gz WFNYNHLRWWTGNQ-OAHLLOKOSA-N 2 1 335.448 1.610 20 10 EDCDMP CCCn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000883283148 597699626 /nfs/dbraw/zinc/69/96/26/597699626.db2.gz RYQXVUJERNRYBJ-UHFFFAOYSA-N 2 1 328.464 1.730 20 10 EDCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768461845 580213743 /nfs/dbraw/zinc/21/37/43/580213743.db2.gz GCHUZXSDOVXQGL-OVLVRJBISA-N 2 1 348.443 1.502 20 10 EDCDMP COC(=O)[C@]1(F)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775735805 580398978 /nfs/dbraw/zinc/39/89/78/580398978.db2.gz XXNHQHCMXFQONS-SFHVURJKSA-N 2 1 335.423 1.525 20 10 EDCDMP COC(=O)[C@]1(F)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775735805 580398979 /nfs/dbraw/zinc/39/89/79/580398979.db2.gz XXNHQHCMXFQONS-SFHVURJKSA-N 2 1 335.423 1.525 20 10 EDCDMP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846258 594963705 /nfs/dbraw/zinc/96/37/05/594963705.db2.gz NMTNTFVNWCJDBY-WMZOPIPTSA-N 2 1 342.443 1.577 20 10 EDCDMP Oc1ccccc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248534 595719096 /nfs/dbraw/zinc/71/90/96/595719096.db2.gz HGVCUXFEJQUJFQ-OAHLLOKOSA-N 2 1 341.459 1.905 20 10 EDCDMP COc1cc(O)c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1OC ZINC000853623657 595836660 /nfs/dbraw/zinc/83/66/60/595836660.db2.gz CQDYGDRGCKMJMQ-HNNXBMFYSA-N 2 1 338.448 1.952 20 10 EDCDMP COc1cc(O)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1OC ZINC000853623657 595836662 /nfs/dbraw/zinc/83/66/62/595836662.db2.gz CQDYGDRGCKMJMQ-HNNXBMFYSA-N 2 1 338.448 1.952 20 10 EDCDMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000863648205 596644157 /nfs/dbraw/zinc/64/41/57/596644157.db2.gz NVTIWETWJLXVET-UHFFFAOYSA-N 2 1 347.253 1.831 20 10 EDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873290904 597249499 /nfs/dbraw/zinc/24/94/99/597249499.db2.gz BRGZFEIVIIESOP-UKRRQHHQSA-N 2 1 348.443 1.988 20 10 EDCDMP CN(C)c1ccc(CN2CCC(N3CCN(C)CC3=O)CC2)cc1F ZINC000365013008 445975147 /nfs/dbraw/zinc/97/51/47/445975147.db2.gz BBBNIUKUCWYXGB-UHFFFAOYSA-N 2 1 348.466 1.630 20 10 EDCDMP COc1cccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1O ZINC000377624642 447252041 /nfs/dbraw/zinc/25/20/41/447252041.db2.gz LIJHUPIILGGQIR-INIZCTEOSA-N 2 1 333.476 1.860 20 10 EDCDMP CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775634207 580395756 /nfs/dbraw/zinc/39/57/56/580395756.db2.gz OQEAACRPZVECBQ-IBGZPJMESA-N 2 1 344.503 1.787 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCn4nncc4C3)cc2)CC1 ZINC000895755901 591266536 /nfs/dbraw/zinc/26/65/36/591266536.db2.gz QUFAWJOLLXMFAK-UHFFFAOYSA-N 2 1 326.448 1.436 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCn4nncc4C3)cc2)CC1 ZINC000895755901 591266539 /nfs/dbraw/zinc/26/65/39/591266539.db2.gz QUFAWJOLLXMFAK-UHFFFAOYSA-N 2 1 326.448 1.436 20 10 EDCDMP C[NH+](C)C[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@H]1C[NH+](C)C ZINC000895419661 591755336 /nfs/dbraw/zinc/75/53/36/591755336.db2.gz WLECFIVMWRPCPR-ZIAGYGMSSA-N 2 1 327.419 1.842 20 10 EDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C2 ZINC000903977379 592399100 /nfs/dbraw/zinc/39/91/00/592399100.db2.gz QARQEVJFYVBLSY-DNCZNXPVSA-N 2 1 343.471 1.978 20 10 EDCDMP CN(C)c1ccc([C@H](CNC[C@H](O)C[N@@H+](C)C2CC2)[NH+](C)C)cc1 ZINC000905703273 592616023 /nfs/dbraw/zinc/61/60/23/592616023.db2.gz HJORPCAHKAXDDM-OALUTQOASA-N 2 1 334.508 1.400 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000829504617 594627873 /nfs/dbraw/zinc/62/78/73/594627873.db2.gz GPXASGZSVAQANL-INIZCTEOSA-N 2 1 346.475 1.076 20 10 EDCDMP CCOc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843122406 595292347 /nfs/dbraw/zinc/29/23/47/595292347.db2.gz SCHOSVWNYHZLEN-HNNXBMFYSA-N 2 1 335.448 1.610 20 10 EDCDMP COc1ccc(N2CC[NH+](CCCN[C@@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000817897891 593647080 /nfs/dbraw/zinc/64/70/80/593647080.db2.gz XMRUDEBHGKHHRL-INIZCTEOSA-N 2 1 332.492 1.405 20 10 EDCDMP COc1cc(Br)cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1O ZINC000841087319 594849073 /nfs/dbraw/zinc/84/90/73/594849073.db2.gz UPAZJNQIWQQASL-LBPRGKRZSA-N 2 1 345.237 1.631 20 10 EDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000843046801 595272843 /nfs/dbraw/zinc/27/28/43/595272843.db2.gz CRPIWCNKHVEXAZ-INIZCTEOSA-N 2 1 348.466 1.536 20 10 EDCDMP CN1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1=O ZINC000862428659 596327583 /nfs/dbraw/zinc/32/75/83/596327583.db2.gz UJUGPINFMCJCMJ-GOSISDBHSA-N 2 1 330.476 1.491 20 10 EDCDMP C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000924009674 696984832 /nfs/dbraw/zinc/98/48/32/696984832.db2.gz YFPOLBQASUQTCP-YJBOKZPZSA-N 2 1 345.491 1.330 20 10 EDCDMP CN(C)c1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000365873885 446382484 /nfs/dbraw/zinc/38/24/84/446382484.db2.gz MIKPBQKYQYQRCH-UHFFFAOYSA-N 2 1 333.476 1.412 20 10 EDCDMP CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775742970 580399263 /nfs/dbraw/zinc/39/92/63/580399263.db2.gz DNXRUPMKUBRZKJ-LJQANCHMSA-N 2 1 344.503 1.739 20 10 EDCDMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000911666071 592973505 /nfs/dbraw/zinc/97/35/05/592973505.db2.gz HBOJMCCOBVDHQW-CRAIPNDOSA-N 2 1 341.459 1.636 20 10 EDCDMP COc1ccc(N2CC[NH+](CCN[C@@H](C)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000817892463 593646178 /nfs/dbraw/zinc/64/61/78/593646178.db2.gz AEGASODEPWMWSR-QFBILLFUSA-N 2 1 332.492 1.547 20 10 EDCDMP Cc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1O ZINC000843056927 595276232 /nfs/dbraw/zinc/27/62/32/595276232.db2.gz CMHCLHPOWTVGJW-DOTOQJQBSA-N 2 1 331.460 1.781 20 10 EDCDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000843121676 595291979 /nfs/dbraw/zinc/29/19/79/595291979.db2.gz GOWOCMGXICDPHV-AWEZNQCLSA-N 2 1 325.840 1.865 20 10 EDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000844222384 595306638 /nfs/dbraw/zinc/30/66/38/595306638.db2.gz CZPYWRMBDWCGEO-UHFFFAOYSA-N 2 1 344.503 1.787 20 10 EDCDMP O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C[NH+]1CCCC1 ZINC000863551593 596615635 /nfs/dbraw/zinc/61/56/35/596615635.db2.gz OAIFCBZWLVCDSV-SFHVURJKSA-N 2 1 335.517 1.786 20 10 EDCDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000922387658 711428219 /nfs/dbraw/zinc/42/82/19/711428219.db2.gz MCQAOQDGJLLWOP-SVYNMNNPSA-N 2 1 348.443 1.690 20 10 EDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000274613142 443608574 /nfs/dbraw/zinc/60/85/74/443608574.db2.gz KOJSKBWHZUCORN-CABCVRRESA-N 2 1 349.475 1.855 20 10 EDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000274613146 443608652 /nfs/dbraw/zinc/60/86/52/443608652.db2.gz KOJSKBWHZUCORN-GJZGRUSLSA-N 2 1 349.475 1.855 20 10 EDCDMP CC[C@H](c1ccccc1O)[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000368811699 447125532 /nfs/dbraw/zinc/12/55/32/447125532.db2.gz YZRDKTDUJQETDU-FUHWJXTLSA-N 2 1 333.476 1.792 20 10 EDCDMP C[N@@H+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccccc2C1 ZINC000592958824 449081737 /nfs/dbraw/zinc/08/17/37/449081737.db2.gz LJLBVAKVGCZPKV-AWEZNQCLSA-N 2 1 339.443 1.811 20 10 EDCDMP C[N@H+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c2ccccc2C1 ZINC000592958824 449081742 /nfs/dbraw/zinc/08/17/42/449081742.db2.gz LJLBVAKVGCZPKV-AWEZNQCLSA-N 2 1 339.443 1.811 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](OCCO)C3)cc2)CC1 ZINC000775687880 580397292 /nfs/dbraw/zinc/39/72/92/580397292.db2.gz JVGWDOCRGOUQGU-IBGZPJMESA-N 2 1 333.476 1.412 20 10 EDCDMP C[NH+]1CCN(c2ccc(CN3CC[N@@H+](CCO)C(C)(C)C3)cc2)CC1 ZINC000783714514 580604571 /nfs/dbraw/zinc/60/45/71/580604571.db2.gz QXQCYSKIIGJRCH-UHFFFAOYSA-N 2 1 346.519 1.327 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCN(CCO)C(C)(C)C3)cc2)CC1 ZINC000783714514 580604572 /nfs/dbraw/zinc/60/45/72/580604572.db2.gz QXQCYSKIIGJRCH-UHFFFAOYSA-N 2 1 346.519 1.327 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCN(CCO)C(C)(C)C3)cc2)CC1 ZINC000783714514 580604573 /nfs/dbraw/zinc/60/45/73/580604573.db2.gz QXQCYSKIIGJRCH-UHFFFAOYSA-N 2 1 346.519 1.327 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CCCCC[NH3+])CC2)cc1 ZINC000829506727 594628075 /nfs/dbraw/zinc/62/80/75/594628075.db2.gz WOEXKHYGQOOGMS-UHFFFAOYSA-N 2 1 348.491 1.453 20 10 EDCDMP CN(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000843046787 595273152 /nfs/dbraw/zinc/27/31/52/595273152.db2.gz BVAWXAHZPIGMDT-QGZVFWFLSA-N 2 1 330.476 1.396 20 10 EDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000852792662 595544771 /nfs/dbraw/zinc/54/47/71/595544771.db2.gz ZFIKPEZXPGESOJ-IAGOWNOFSA-N 2 1 348.397 1.847 20 10 EDCDMP COc1ccc(N2CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000917016716 696878119 /nfs/dbraw/zinc/87/81/19/696878119.db2.gz CCORVVQVEDZOLB-SFHVURJKSA-N 2 1 333.476 1.664 20 10 EDCDMP COc1ccc(N2CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000917016716 696878121 /nfs/dbraw/zinc/87/81/21/696878121.db2.gz CCORVVQVEDZOLB-SFHVURJKSA-N 2 1 333.476 1.664 20 10 EDCDMP CC[C@H](c1ccccc1O)[N@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000368811700 447125572 /nfs/dbraw/zinc/12/55/72/447125572.db2.gz YZRDKTDUJQETDU-SJLPKXTDSA-N 2 1 333.476 1.792 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC(=O)N[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000775665934 580396689 /nfs/dbraw/zinc/39/66/89/580396689.db2.gz OGQYOFHFNMYGLS-OALUTQOASA-N 2 1 342.487 1.681 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(=O)N[C@H]4CCCC[C@@H]43)cc2)CC1 ZINC000775665934 580396690 /nfs/dbraw/zinc/39/66/90/580396690.db2.gz OGQYOFHFNMYGLS-OALUTQOASA-N 2 1 342.487 1.681 20 10 EDCDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccccc1O ZINC000820067638 593788111 /nfs/dbraw/zinc/78/81/11/593788111.db2.gz AXRNPMYZUFDBJA-HNNXBMFYSA-N 2 1 336.480 1.806 20 10 EDCDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccccc1O ZINC000820067638 593788112 /nfs/dbraw/zinc/78/81/12/593788112.db2.gz AXRNPMYZUFDBJA-HNNXBMFYSA-N 2 1 336.480 1.806 20 10 EDCDMP C[N@H+]1C[C@@H]2CCCN(Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000822520466 594061532 /nfs/dbraw/zinc/06/15/32/594061532.db2.gz CNHHYVPOYMHTDN-AZUAARDMSA-N 2 1 328.504 1.964 20 10 EDCDMP CN1C[C@@H]2CCC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000822520466 594061534 /nfs/dbraw/zinc/06/15/34/594061534.db2.gz CNHHYVPOYMHTDN-AZUAARDMSA-N 2 1 328.504 1.964 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4NC(=O)CC[C@H]4C3)cc2)CC1 ZINC000827132313 594645704 /nfs/dbraw/zinc/64/57/04/594645704.db2.gz KUUGOIFRNVLART-PKOBYXMFSA-N 2 1 342.487 1.539 20 10 EDCDMP CCN(CC)c1ccc(C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000844220646 595306419 /nfs/dbraw/zinc/30/64/19/595306419.db2.gz IMQUSGNUMKMXIO-UHFFFAOYSA-N 2 1 332.492 1.787 20 10 EDCDMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844223979 595307768 /nfs/dbraw/zinc/30/77/68/595307768.db2.gz DDPDSJSPOKABNK-VYDXJSESSA-N 2 1 332.492 1.674 20 10 EDCDMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844223979 595307769 /nfs/dbraw/zinc/30/77/69/595307769.db2.gz DDPDSJSPOKABNK-VYDXJSESSA-N 2 1 332.492 1.674 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000844223323 595308216 /nfs/dbraw/zinc/30/82/16/595308216.db2.gz YJLUMQLCLAXLLS-HOTGVXAUSA-N 2 1 346.475 1.013 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000844223323 595308219 /nfs/dbraw/zinc/30/82/19/595308219.db2.gz YJLUMQLCLAXLLS-HOTGVXAUSA-N 2 1 346.475 1.013 20 10 EDCDMP COc1ccc(N2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000852747148 596237692 /nfs/dbraw/zinc/23/76/92/596237692.db2.gz YCEGIDFAXRIAQA-GOSISDBHSA-N 2 1 331.460 1.728 20 10 EDCDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(O)c1O ZINC000272768472 279329389 /nfs/dbraw/zinc/32/93/89/279329389.db2.gz MNICDLXBHRRECV-HNNXBMFYSA-N 2 1 349.475 1.894 20 10 EDCDMP COc1ccc(O)c(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000368052010 446622402 /nfs/dbraw/zinc/62/24/02/446622402.db2.gz RXINFKIXWOOXGY-MRXNPFEDSA-N 2 1 333.476 1.860 20 10 EDCDMP CC(=O)N1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775644275 580396070 /nfs/dbraw/zinc/39/60/70/580396070.db2.gz DHVAUFBZXMJAKU-UHFFFAOYSA-N 2 1 330.476 1.493 20 10 EDCDMP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000787422101 580695033 /nfs/dbraw/zinc/69/50/33/580695033.db2.gz ZVDNNNDCHRGYRV-YJBOKZPZSA-N 2 1 331.460 1.822 20 10 EDCDMP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000891252679 591019959 /nfs/dbraw/zinc/01/99/59/591019959.db2.gz MDSYRFKOEAVZIW-QZTJIDSGSA-N 2 1 332.492 1.956 20 10 EDCDMP CN(C)c1ccc(C[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903872768 592354287 /nfs/dbraw/zinc/35/42/87/592354287.db2.gz BYPIVAQYHAFXLZ-KRWDZBQOSA-N 2 1 328.464 1.901 20 10 EDCDMP CN(C)c1ccc(C[N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903872768 592354291 /nfs/dbraw/zinc/35/42/91/592354291.db2.gz BYPIVAQYHAFXLZ-KRWDZBQOSA-N 2 1 328.464 1.901 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CC[C@](C)(C[NH3+])C3)CC2)cc1 ZINC000844223846 595308123 /nfs/dbraw/zinc/30/81/23/595308123.db2.gz ILYHSNNCUWOMSC-LJQANCHMSA-N 2 1 346.475 1.015 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CC[C@](C)(C[NH3+])C3)CC2)cc1 ZINC000844223846 595308125 /nfs/dbraw/zinc/30/81/25/595308125.db2.gz ILYHSNNCUWOMSC-LJQANCHMSA-N 2 1 346.475 1.015 20 10 EDCDMP C[C@@H]1CC2(C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1)CC[NH2+]CC2 ZINC000844225088 595309331 /nfs/dbraw/zinc/30/93/31/595309331.db2.gz YBFDZJBJWFOVCT-MRXNPFEDSA-N 2 1 344.503 1.833 20 10 EDCDMP COc1cc(O)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000873229107 597235041 /nfs/dbraw/zinc/23/50/41/597235041.db2.gz XJSHVJPTFINRMZ-GHMZBOCLSA-N 2 1 334.338 1.978 20 10 EDCDMP COc1cc(O)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1OC ZINC000873229107 597235045 /nfs/dbraw/zinc/23/50/45/597235045.db2.gz XJSHVJPTFINRMZ-GHMZBOCLSA-N 2 1 334.338 1.978 20 10 EDCDMP COc1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(O)cc1C ZINC000768445291 580213149 /nfs/dbraw/zinc/21/31/49/580213149.db2.gz HEFRYQWNQPKGOT-QGZVFWFLSA-N 2 1 333.476 1.921 20 10 EDCDMP COc1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(O)cc1C ZINC000768445291 580213150 /nfs/dbraw/zinc/21/31/50/580213150.db2.gz HEFRYQWNQPKGOT-QGZVFWFLSA-N 2 1 333.476 1.921 20 10 EDCDMP CN(C)c1ccc([C@H](CNC(=O)C[N@@H+](C)C2CCC2)[NH+](C)C)cc1 ZINC000891248498 591017075 /nfs/dbraw/zinc/01/70/75/591017075.db2.gz NKVLTROLOCTHCP-SFHVURJKSA-N 2 1 332.492 1.956 20 10 EDCDMP CC(C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCC(=O)N1 ZINC000840975354 594834411 /nfs/dbraw/zinc/83/44/11/594834411.db2.gz GIGCNNDPZRLBAI-SFHVURJKSA-N 2 1 344.503 1.927 20 10 EDCDMP C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883204743 597685285 /nfs/dbraw/zinc/68/52/85/597685285.db2.gz HGAVPOREBNUJTO-GOSISDBHSA-N 2 1 345.491 1.332 20 10 EDCDMP COc1ccc(N2CC[NH+](C[C@H](O)Cn3cc[nH+]c3C)CC2)cc1 ZINC000754073947 579895637 /nfs/dbraw/zinc/89/56/37/579895637.db2.gz DZJZNLUOXOGLAP-KRWDZBQOSA-N 2 1 330.432 1.383 20 10 EDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000756408487 579949655 /nfs/dbraw/zinc/94/96/55/579949655.db2.gz OOXLYKNDMNXUTA-HNNXBMFYSA-N 2 1 349.475 1.857 20 10 EDCDMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000787422099 580695044 /nfs/dbraw/zinc/69/50/44/580695044.db2.gz ZVDNNNDCHRGYRV-MAUKXSAKSA-N 2 1 331.460 1.822 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000789767743 580753002 /nfs/dbraw/zinc/75/30/02/580753002.db2.gz JLGQBXLXIQPZTM-LJQANCHMSA-N 2 1 328.460 1.150 20 10 EDCDMP COc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(O)c1OC ZINC000895473928 591770311 /nfs/dbraw/zinc/77/03/11/591770311.db2.gz RBLDZRGMYZNMPS-HNNXBMFYSA-N 2 1 338.448 1.952 20 10 EDCDMP COc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(O)c1OC ZINC000895473928 591770315 /nfs/dbraw/zinc/77/03/15/591770315.db2.gz RBLDZRGMYZNMPS-HNNXBMFYSA-N 2 1 338.448 1.952 20 10 EDCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000841099076 594850702 /nfs/dbraw/zinc/85/07/02/594850702.db2.gz CWSQLGWTAQCOGW-OAHLLOKOSA-N 2 1 331.420 1.678 20 10 EDCDMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1)[C@H]1CCC[NH2+]1 ZINC000843058039 595276328 /nfs/dbraw/zinc/27/63/28/595276328.db2.gz NYKAMJQJTNTNQK-CZUORRHYSA-N 2 1 335.423 1.612 20 10 EDCDMP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1)[C@H]1CCC[NH2+]1 ZINC000843058039 595276330 /nfs/dbraw/zinc/27/63/30/595276330.db2.gz NYKAMJQJTNTNQK-CZUORRHYSA-N 2 1 335.423 1.612 20 10 EDCDMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851894917 595966421 /nfs/dbraw/zinc/96/64/21/595966421.db2.gz BGQBLQPYIGHQDN-QFBILLFUSA-N 2 1 335.492 1.875 20 10 EDCDMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851894917 595966424 /nfs/dbraw/zinc/96/64/24/595966424.db2.gz BGQBLQPYIGHQDN-QFBILLFUSA-N 2 1 335.492 1.875 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCN4C(=O)CC[C@@H]4C3)cc2)CC1 ZINC000775667274 580396676 /nfs/dbraw/zinc/39/66/76/580396676.db2.gz HMEMDOOJTYIFIV-GOSISDBHSA-N 2 1 328.460 1.245 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000775736607 580399105 /nfs/dbraw/zinc/39/91/05/580399105.db2.gz CBPHXWPWRZGGAT-PMACEKPBSA-N 2 1 345.487 1.818 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000775736607 580399106 /nfs/dbraw/zinc/39/91/06/580399106.db2.gz CBPHXWPWRZGGAT-PMACEKPBSA-N 2 1 345.487 1.818 20 10 EDCDMP CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C)[NH+](C)C)cc1 ZINC000892330781 590955993 /nfs/dbraw/zinc/95/59/93/590955993.db2.gz NELAJJCYQQKZFG-ZWKOTPCHSA-N 2 1 347.507 1.749 20 10 EDCDMP C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1C[NH2+]C1 ZINC000817917072 593648493 /nfs/dbraw/zinc/64/84/93/593648493.db2.gz MWRDZOFVXHDISC-INIZCTEOSA-N 2 1 328.504 1.916 20 10 EDCDMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000829500126 594626659 /nfs/dbraw/zinc/62/66/59/594626659.db2.gz HZQVSSNETCITMO-QAPCUYQASA-N 2 1 348.491 1.307 20 10 EDCDMP Cc1cc(N(C)C)ccc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000840934508 594829827 /nfs/dbraw/zinc/82/98/27/594829827.db2.gz RANQDKNJAHWJHM-KRWDZBQOSA-N 2 1 332.492 1.738 20 10 EDCDMP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000843046891 595273178 /nfs/dbraw/zinc/27/31/78/595273178.db2.gz HTIUWDYRSYEEOV-OAHLLOKOSA-N 2 1 347.459 1.435 20 10 EDCDMP COc1ccc(N2CCN(CCC[NH2+]C3CC[NH+](C)CC3)CC2)cc1 ZINC000102560293 237043090 /nfs/dbraw/zinc/04/30/90/237043090.db2.gz BJMJCZWUKMMGGG-UHFFFAOYSA-N 2 1 346.519 1.891 20 10 EDCDMP CN(C)c1ccc(C[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000375333075 446727460 /nfs/dbraw/zinc/72/74/60/446727460.db2.gz FHEOQSSPNPXAHP-UHFFFAOYSA-N 2 1 346.519 1.593 20 10 EDCDMP CN(C)c1ccc(C[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000375333075 446727468 /nfs/dbraw/zinc/72/74/68/446727468.db2.gz FHEOQSSPNPXAHP-UHFFFAOYSA-N 2 1 346.519 1.593 20 10 EDCDMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1=CC(=O)CS1 ZINC000732279039 578702419 /nfs/dbraw/zinc/70/24/19/578702419.db2.gz DUGOCJRHMQSHGG-UHFFFAOYSA-N 2 1 346.456 1.791 20 10 EDCDMP CCCCC[N@@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780781997 580533534 /nfs/dbraw/zinc/53/35/34/580533534.db2.gz JMAVSAKOQQKZBM-UHFFFAOYSA-N 2 1 332.492 1.916 20 10 EDCDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000799346529 581026075 /nfs/dbraw/zinc/02/60/75/581026075.db2.gz NAQYHVUYTVRVKA-UHFFFAOYSA-N 2 1 346.519 1.639 20 10 EDCDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891250551 591018708 /nfs/dbraw/zinc/01/87/08/591018708.db2.gz AUAIHWPGWUBJHS-QZTJIDSGSA-N 2 1 348.491 1.192 20 10 EDCDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891250551 591018713 /nfs/dbraw/zinc/01/87/13/591018713.db2.gz AUAIHWPGWUBJHS-QZTJIDSGSA-N 2 1 348.491 1.192 20 10 EDCDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000829296666 594594384 /nfs/dbraw/zinc/59/43/84/594594384.db2.gz LSFZUAJWPIHHOK-IBGZPJMESA-N 2 1 344.503 1.927 20 10 EDCDMP CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775634208 580395803 /nfs/dbraw/zinc/39/58/03/580395803.db2.gz OQEAACRPZVECBQ-LJQANCHMSA-N 2 1 344.503 1.787 20 10 EDCDMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648851 580396317 /nfs/dbraw/zinc/39/63/17/580396317.db2.gz GRBJSWKBZKLUHE-WBVHZDCISA-N 2 1 330.476 1.524 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3CC(N)=O)cc2)CC1 ZINC000775664596 580396647 /nfs/dbraw/zinc/39/66/47/580396647.db2.gz NGOACFVFHAIKBT-GOSISDBHSA-N 2 1 330.476 1.668 20 10 EDCDMP COCC[C@@H]1COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000812787029 593509308 /nfs/dbraw/zinc/50/93/08/593509308.db2.gz ZLSPPCSIRQFXBT-LJQANCHMSA-N 2 1 333.476 1.676 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000844217713 595304897 /nfs/dbraw/zinc/30/48/97/595304897.db2.gz KYUOSJZCOVMLAU-INIZCTEOSA-N 2 1 346.475 1.015 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000844217713 595304899 /nfs/dbraw/zinc/30/48/99/595304899.db2.gz KYUOSJZCOVMLAU-INIZCTEOSA-N 2 1 346.475 1.015 20 10 EDCDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000855346337 595680122 /nfs/dbraw/zinc/68/01/22/595680122.db2.gz XLFZQWWKQWZVAO-KGXGESDWSA-N 2 1 335.448 1.499 20 10 EDCDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000855346337 595680124 /nfs/dbraw/zinc/68/01/24/595680124.db2.gz XLFZQWWKQWZVAO-KGXGESDWSA-N 2 1 335.448 1.499 20 10 EDCDMP CN(C)c1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254419 596855876 /nfs/dbraw/zinc/85/58/76/596855876.db2.gz COPOGBCUAHNQJK-BBWFWOEESA-N 2 1 330.432 1.120 20 10 EDCDMP CCOc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(O)c1 ZINC000872255489 596856605 /nfs/dbraw/zinc/85/66/05/596856605.db2.gz YKICYWGOUCEJBA-LXZKKBNFSA-N 2 1 347.415 1.158 20 10 EDCDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)C1 ZINC000768444618 580212946 /nfs/dbraw/zinc/21/29/46/580212946.db2.gz ASLZGRAVMDTMTE-QAPCUYQASA-N 2 1 347.459 1.030 20 10 EDCDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)C1 ZINC000768444618 580212947 /nfs/dbraw/zinc/21/29/47/580212947.db2.gz ASLZGRAVMDTMTE-QAPCUYQASA-N 2 1 347.459 1.030 20 10 EDCDMP COc1c[nH+]ccc1N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000793372214 580842971 /nfs/dbraw/zinc/84/29/71/580842971.db2.gz ZTISTEUPWKJUOS-UHFFFAOYSA-N 2 1 343.383 1.847 20 10 EDCDMP C[C@H](O)C[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000793588279 580848334 /nfs/dbraw/zinc/84/83/34/580848334.db2.gz IHPWXPGJTOZDKG-ROUUACIJSA-N 2 1 346.519 1.325 20 10 EDCDMP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000892658871 591114132 /nfs/dbraw/zinc/11/41/32/591114132.db2.gz OBZNPSVMATULRC-SFHVURJKSA-N 2 1 349.523 1.995 20 10 EDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000841098947 594850971 /nfs/dbraw/zinc/85/09/71/594850971.db2.gz AJLLQBCDANDDOA-GOSISDBHSA-N 2 1 328.464 1.948 20 10 EDCDMP CCOc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000843122004 595292004 /nfs/dbraw/zinc/29/20/04/595292004.db2.gz MTHBALWMMQNTTF-OAHLLOKOSA-N 2 1 335.448 1.610 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC[NH2+]C3CC3)CC2)cc1 ZINC000848414651 595375748 /nfs/dbraw/zinc/37/57/48/595375748.db2.gz AYMZPTLNLFNWJF-UHFFFAOYSA-N 2 1 346.475 1.076 20 10 EDCDMP COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)c1 ZINC000273621909 443583365 /nfs/dbraw/zinc/58/33/65/443583365.db2.gz ZJSFNTRLBDEDKO-UONOGXRCSA-N 2 1 335.448 1.465 20 10 EDCDMP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000738160292 579166322 /nfs/dbraw/zinc/16/63/22/579166322.db2.gz IEKHPHHUVWKFCU-UHFFFAOYSA-N 2 1 343.471 1.621 20 10 EDCDMP CN(C)c1ccc([C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[NH+](C)C)cc1 ZINC000891248497 591017377 /nfs/dbraw/zinc/01/73/77/591017377.db2.gz NKVLTROLOCTHCP-GOSISDBHSA-N 2 1 332.492 1.956 20 10 EDCDMP CC[N@@H+](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000891252330 591021244 /nfs/dbraw/zinc/02/12/44/591021244.db2.gz JNOAHHPHKMKACP-GOSISDBHSA-N 2 1 332.492 1.956 20 10 EDCDMP CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(N3CC[NH2+]CC3)o2)cc1 ZINC000904353196 592237650 /nfs/dbraw/zinc/23/76/50/592237650.db2.gz IHRGUIJVTZNBOU-SFHVURJKSA-N 2 1 343.475 1.545 20 10 EDCDMP CN1CCN(c2ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc2)CC1 ZINC000809740956 593357232 /nfs/dbraw/zinc/35/72/32/593357232.db2.gz GYWHRTRBOSYAQP-UHFFFAOYSA-N 2 1 347.551 1.364 20 10 EDCDMP CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(O)c1 ZINC000841099305 594850601 /nfs/dbraw/zinc/85/06/01/594850601.db2.gz HUYWKQNGSNUAAA-OAHLLOKOSA-N 2 1 331.420 1.678 20 10 EDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000844223683 595308174 /nfs/dbraw/zinc/30/81/74/595308174.db2.gz GSRVKVPPKOAMJW-SFHVURJKSA-N 2 1 332.492 1.914 20 10 EDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000844223683 595308175 /nfs/dbraw/zinc/30/81/75/595308175.db2.gz GSRVKVPPKOAMJW-SFHVURJKSA-N 2 1 332.492 1.914 20 10 EDCDMP COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)c1 ZINC000273621906 443583526 /nfs/dbraw/zinc/58/35/26/443583526.db2.gz ZJSFNTRLBDEDKO-KBPBESRZSA-N 2 1 335.448 1.465 20 10 EDCDMP COc1ccc(O)c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000289678619 444189733 /nfs/dbraw/zinc/18/97/33/444189733.db2.gz DYBCOWOSSBKOFM-UHFFFAOYSA-N 2 1 347.459 1.387 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000775727408 580398634 /nfs/dbraw/zinc/39/86/34/580398634.db2.gz QOLVUALAHMTTQQ-QGZVFWFLSA-N 2 1 330.476 1.526 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000775727407 580398664 /nfs/dbraw/zinc/39/86/64/580398664.db2.gz QOLVUALAHMTTQQ-KRWDZBQOSA-N 2 1 330.476 1.526 20 10 EDCDMP CC(C)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783727686 580604854 /nfs/dbraw/zinc/60/48/54/580604854.db2.gz CFXVBCQXVSBFSB-IBGZPJMESA-N 2 1 344.503 1.785 20 10 EDCDMP CC(C)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783727686 580604855 /nfs/dbraw/zinc/60/48/55/580604855.db2.gz CFXVBCQXVSBFSB-IBGZPJMESA-N 2 1 344.503 1.785 20 10 EDCDMP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000843065813 595279198 /nfs/dbraw/zinc/27/91/98/595279198.db2.gz QGEPIWBLETYGBU-HXUWFJFHSA-N 2 1 347.503 1.440 20 10 EDCDMP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000843065813 595279199 /nfs/dbraw/zinc/27/91/99/595279199.db2.gz QGEPIWBLETYGBU-HXUWFJFHSA-N 2 1 347.503 1.440 20 10 EDCDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882985062 597607038 /nfs/dbraw/zinc/60/70/38/597607038.db2.gz FMCJZXXZDXKFIG-NSHDSACASA-N 2 1 327.375 1.347 20 10 EDCDMP COc1ccc(N2CCN(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000268867140 443131395 /nfs/dbraw/zinc/13/13/95/443131395.db2.gz WTTQBLFRAAHSRI-ZWKOTPCHSA-N 2 1 346.519 1.890 20 10 EDCDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C(N)=O)C1 ZINC000779200523 580480922 /nfs/dbraw/zinc/48/09/22/580480922.db2.gz IDXPSZVPJVGZAK-QAPCUYQASA-N 2 1 330.476 1.524 20 10 EDCDMP COc1cc(C)cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC000894242906 591242917 /nfs/dbraw/zinc/24/29/17/591242917.db2.gz BTINJSGOCQZRKS-CQSZACIVSA-N 2 1 335.448 1.386 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](O)(C(F)F)C3)cc2)CC1 ZINC000824726379 594062511 /nfs/dbraw/zinc/06/25/11/594062511.db2.gz KTSAETXJWWZBRP-KRWDZBQOSA-N 2 1 325.403 1.640 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](N4CCOC4=O)C3)cc2)CC1 ZINC000826999719 594620262 /nfs/dbraw/zinc/62/02/62/594620262.db2.gz ACTGIOZMUBQNPD-SFHVURJKSA-N 2 1 344.459 1.465 20 10 EDCDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843124235 595292503 /nfs/dbraw/zinc/29/25/03/595292503.db2.gz ZRECQYCFKKXKFH-LJQANCHMSA-N 2 1 330.476 1.003 20 10 EDCDMP CN(CCC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)CC[NH+](C)C ZINC000857784369 595611661 /nfs/dbraw/zinc/61/16/61/595611661.db2.gz YEUZSNWSXCNBFJ-UHFFFAOYSA-N 2 1 347.551 1.412 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)cc2)CC1 ZINC000862526410 596340240 /nfs/dbraw/zinc/34/02/40/596340240.db2.gz AUSGYZOCUXAPLO-YDIMBITNSA-N 2 1 347.528 1.924 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc4n(n3)CCC4)cc2)CC1 ZINC000883283569 597699899 /nfs/dbraw/zinc/69/98/99/597699899.db2.gz KFZAYBWYXKNWRI-UHFFFAOYSA-N 2 1 325.460 1.871 20 10 EDCDMP CCN(C)c1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178668848 442454112 /nfs/dbraw/zinc/45/41/12/442454112.db2.gz PIISNVLSWXDEGV-MRXNPFEDSA-N 2 1 332.492 1.957 20 10 EDCDMP CN(C(=O)c1cccc(O)c1O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365788952 446343993 /nfs/dbraw/zinc/34/39/93/446343993.db2.gz MEXRNYOPMIHQMJ-CQSZACIVSA-N 2 1 333.432 1.338 20 10 EDCDMP CN(C(=O)c1cccc(O)c1O)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365788952 446343997 /nfs/dbraw/zinc/34/39/97/446343997.db2.gz MEXRNYOPMIHQMJ-CQSZACIVSA-N 2 1 333.432 1.338 20 10 EDCDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000377625261 447252298 /nfs/dbraw/zinc/25/22/98/447252298.db2.gz LYQIIHSBJHYPRD-HNNXBMFYSA-N 2 1 347.459 1.580 20 10 EDCDMP CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1O ZINC000843047231 595272787 /nfs/dbraw/zinc/27/27/87/595272787.db2.gz OXHWBXVOWGDNIC-INIZCTEOSA-N 2 1 347.459 1.435 20 10 EDCDMP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000843065811 595279301 /nfs/dbraw/zinc/27/93/01/595279301.db2.gz QGEPIWBLETYGBU-FQEVSTJZSA-N 2 1 347.503 1.440 20 10 EDCDMP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)C1CC1 ZINC000843065811 595279302 /nfs/dbraw/zinc/27/93/02/595279302.db2.gz QGEPIWBLETYGBU-FQEVSTJZSA-N 2 1 347.503 1.440 20 10 EDCDMP CN(C)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1F ZINC000843121304 595291656 /nfs/dbraw/zinc/29/16/56/595291656.db2.gz CNPCXRPEMLFCSY-HNNXBMFYSA-N 2 1 336.455 1.711 20 10 EDCDMP COc1cc(O)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000843125430 595293063 /nfs/dbraw/zinc/29/30/63/595293063.db2.gz WFNMUDFLNGCNCD-AWEZNQCLSA-N 2 1 336.432 1.597 20 10 EDCDMP COc1ccc(N2CCCN(Cc3nc(C(C)(C)N)no3)CC2)cc1 ZINC000844221327 595306288 /nfs/dbraw/zinc/30/62/88/595306288.db2.gz CVOIHXUNWICBHH-UHFFFAOYSA-N 2 1 345.447 1.984 20 10 EDCDMP CN(C)c1ccc(CNC(=O)CN2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000852108787 596046861 /nfs/dbraw/zinc/04/68/61/596046861.db2.gz MRVHIWWSWOXSCW-HXUWFJFHSA-N 2 1 344.503 1.787 20 10 EDCDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2c(cc1O)OCO2 ZINC000289491168 444157136 /nfs/dbraw/zinc/15/71/36/444157136.db2.gz RPCRUJLZCOYHKQ-INIZCTEOSA-N 2 1 349.475 1.969 20 10 EDCDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000371332306 446782169 /nfs/dbraw/zinc/78/21/69/446782169.db2.gz OHZXQUGKOPDYTP-MRXNPFEDSA-N 2 1 347.459 1.721 20 10 EDCDMP COCCOC[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775725819 580398565 /nfs/dbraw/zinc/39/85/65/580398565.db2.gz QYCDVLXRALYYKH-LJQANCHMSA-N 2 1 347.503 1.923 20 10 EDCDMP C[C@@H]1[C@@H](NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@H+]1C ZINC000896618678 591554047 /nfs/dbraw/zinc/55/40/47/591554047.db2.gz RBVIGKTVRSWHKJ-JLSDUUJJSA-N 2 1 347.507 1.747 20 10 EDCDMP O=C([C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1)N1CC[NH2+]CC1 ZINC000843047540 595272610 /nfs/dbraw/zinc/27/26/10/595272610.db2.gz VLXPTKPFIXSIBC-CYBMUJFWSA-N 2 1 337.851 1.689 20 10 EDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843047409 595273184 /nfs/dbraw/zinc/27/31/84/595273184.db2.gz ULZSGJOCPYTHTH-GOSISDBHSA-N 2 1 344.503 1.705 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](C[NH3+])C3)CC2)cc1 ZINC000844217715 595304864 /nfs/dbraw/zinc/30/48/64/595304864.db2.gz KYUOSJZCOVMLAU-MRXNPFEDSA-N 2 1 346.475 1.015 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](C[NH3+])C3)CC2)cc1 ZINC000844217715 595304866 /nfs/dbraw/zinc/30/48/66/595304866.db2.gz KYUOSJZCOVMLAU-MRXNPFEDSA-N 2 1 346.475 1.015 20 10 EDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000844222331 595306601 /nfs/dbraw/zinc/30/66/01/595306601.db2.gz BGGBBYAWINFBEZ-JQHSSLGASA-N 2 1 330.476 1.428 20 10 EDCDMP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000881851122 597753712 /nfs/dbraw/zinc/75/37/12/597753712.db2.gz FBDANIBRTVLYRK-SFHVURJKSA-N 2 1 330.476 1.539 20 10 EDCDMP COc1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1O ZINC000289951327 444223088 /nfs/dbraw/zinc/22/30/88/444223088.db2.gz XYIFBYUAHIGSKU-UHFFFAOYSA-N 2 1 347.459 1.387 20 10 EDCDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C(N)=O)C1 ZINC000779200524 580480944 /nfs/dbraw/zinc/48/09/44/580480944.db2.gz IDXPSZVPJVGZAK-YJBOKZPZSA-N 2 1 330.476 1.524 20 10 EDCDMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000853625651 595838124 /nfs/dbraw/zinc/83/81/24/595838124.db2.gz UTBPGSZBPOKYGV-WMLDXEAASA-N 2 1 336.432 1.361 20 10 EDCDMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCO1 ZINC000853625651 595838126 /nfs/dbraw/zinc/83/81/26/595838126.db2.gz UTBPGSZBPOKYGV-WMLDXEAASA-N 2 1 336.432 1.361 20 10 EDCDMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000883161178 597672636 /nfs/dbraw/zinc/67/26/36/597672636.db2.gz LFBANQJCCCPRGM-GOSISDBHSA-N 2 1 335.492 1.706 20 10 EDCDMP C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C ZINC000924009661 696984373 /nfs/dbraw/zinc/98/43/73/696984373.db2.gz YFPOLBQASUQTCP-CRAIPNDOSA-N 2 1 345.491 1.330 20 10 EDCDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000371332305 446783486 /nfs/dbraw/zinc/78/34/86/446783486.db2.gz OHZXQUGKOPDYTP-INIZCTEOSA-N 2 1 347.459 1.721 20 10 EDCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2c(cc1O)OCO2 ZINC000363511918 250184965 /nfs/dbraw/zinc/18/49/65/250184965.db2.gz QVAKMVADJFVAOW-IIAWOOMASA-N 2 1 334.416 1.804 20 10 EDCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2c(cc1O)OCO2 ZINC000363511918 250184971 /nfs/dbraw/zinc/18/49/71/250184971.db2.gz QVAKMVADJFVAOW-IIAWOOMASA-N 2 1 334.416 1.804 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)/C=C/C[NH+](C)C)CC2)cc1 ZINC000265636036 442855866 /nfs/dbraw/zinc/85/58/66/442855866.db2.gz KRWXHGUJGSGCCK-SNAWJCMRSA-N 2 1 346.475 1.051 20 10 EDCDMP CN(CC[N@@H+](C)Cc1cc2c(cc1O)OCO2)C1CC[NH+](C)CC1 ZINC000289521571 444164143 /nfs/dbraw/zinc/16/41/43/444164143.db2.gz VJFLBXOECGYYPU-UHFFFAOYSA-N 2 1 335.448 1.579 20 10 EDCDMP CN(C)c1ccc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000365834177 446361542 /nfs/dbraw/zinc/36/15/42/446361542.db2.gz BEHGSEZVHXVBFI-SFHVURJKSA-N 2 1 330.476 1.667 20 10 EDCDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)CC1 ZINC000106854739 529151611 /nfs/dbraw/zinc/15/16/11/529151611.db2.gz UOAUEXJVEMYDES-OAHLLOKOSA-N 2 1 333.432 1.333 20 10 EDCDMP Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000762792021 580083435 /nfs/dbraw/zinc/08/34/35/580083435.db2.gz ZELRSMLPTYKGAK-CQSZACIVSA-N 2 1 329.238 1.619 20 10 EDCDMP Cc1cc(Br)cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000762792021 580083436 /nfs/dbraw/zinc/08/34/36/580083436.db2.gz ZELRSMLPTYKGAK-CQSZACIVSA-N 2 1 329.238 1.619 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000775736616 580399092 /nfs/dbraw/zinc/39/90/92/580399092.db2.gz CBPHXWPWRZGGAT-WOJBJXKFSA-N 2 1 345.487 1.818 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000775736616 580399093 /nfs/dbraw/zinc/39/90/93/580399093.db2.gz CBPHXWPWRZGGAT-WOJBJXKFSA-N 2 1 345.487 1.818 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](Cn4ccnn4)C3)cc2)CC1 ZINC000826845273 594587634 /nfs/dbraw/zinc/58/76/34/594587634.db2.gz IEXQUGPOYILDQB-SFHVURJKSA-N 2 1 340.475 1.552 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC3(C[NH3+])CC3)CC2)cc1 ZINC000829499898 594626760 /nfs/dbraw/zinc/62/67/60/594626760.db2.gz GZPZUPKYXCEZAF-UHFFFAOYSA-N 2 1 346.475 1.062 20 10 EDCDMP CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1O ZINC000843047232 595272882 /nfs/dbraw/zinc/27/28/82/595272882.db2.gz OXHWBXVOWGDNIC-MRXNPFEDSA-N 2 1 347.459 1.435 20 10 EDCDMP COc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1O ZINC000843046964 595273191 /nfs/dbraw/zinc/27/31/91/595273191.db2.gz JCVZJAWJWVDVBW-OAHLLOKOSA-N 2 1 333.432 1.045 20 10 EDCDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000843048288 595273687 /nfs/dbraw/zinc/27/36/87/595273687.db2.gz XMGRQSLSSGZGLU-KRWDZBQOSA-N 2 1 332.492 1.820 20 10 EDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000844222931 595307337 /nfs/dbraw/zinc/30/73/37/595307337.db2.gz NNPAFYVMFLYPID-UHOSZYNNSA-N 2 1 344.503 1.770 20 10 EDCDMP c1cc(N2CCOCC2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848524677 595402513 /nfs/dbraw/zinc/40/25/13/595402513.db2.gz VIMSAJMYKPGADP-HXUWFJFHSA-N 2 1 345.487 1.866 20 10 EDCDMP CCc1cccc(C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)c1O ZINC000848885951 595462975 /nfs/dbraw/zinc/46/29/75/595462975.db2.gz PHYGUYIHMXROGT-UHFFFAOYSA-N 2 1 333.476 1.941 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNc3cc[nH+]c(CO)c3)CC2)cc1 ZINC000858366754 595776022 /nfs/dbraw/zinc/77/60/22/595776022.db2.gz BAMHBGSKDWJERZ-UHFFFAOYSA-N 2 1 342.443 1.817 20 10 EDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256974 596857464 /nfs/dbraw/zinc/85/74/64/596857464.db2.gz GUMSRFKFWSWCLJ-KURKYZTESA-N 2 1 344.459 1.428 20 10 EDCDMP COc1cccc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1O ZINC000922389211 711435883 /nfs/dbraw/zinc/43/58/83/711435883.db2.gz SGRKMSKCKCACLR-VVWQDTPRSA-N 2 1 334.460 1.970 20 10 EDCDMP Fc1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)ccc1N1CCOCC1 ZINC000727469731 578529702 /nfs/dbraw/zinc/52/97/02/578529702.db2.gz DLJAHETYYYLIAK-OAHLLOKOSA-N 2 1 330.407 1.963 20 10 EDCDMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2F)CC1 ZINC000730286756 578639969 /nfs/dbraw/zinc/63/99/69/578639969.db2.gz XKXTUGPVXJMHRQ-INIZCTEOSA-N 2 1 348.466 1.536 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCN4C(=O)CC[C@H]4C3)cc2)CC1 ZINC000775667276 580396733 /nfs/dbraw/zinc/39/67/33/580396733.db2.gz HMEMDOOJTYIFIV-SFHVURJKSA-N 2 1 328.460 1.245 20 10 EDCDMP Cc1c[nH+]cn1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891245567 591015225 /nfs/dbraw/zinc/01/52/25/591015225.db2.gz GRNNTLRSEKPJMK-KRWDZBQOSA-N 2 1 329.448 1.677 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCNC(=O)CC3(C)C)cc2)CC1 ZINC000895400901 591745393 /nfs/dbraw/zinc/74/53/93/591745393.db2.gz ZMZQMZFDVKQAKB-UHFFFAOYSA-N 2 1 330.476 1.539 20 10 EDCDMP CCOc1cccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1O ZINC000872255424 596856634 /nfs/dbraw/zinc/85/66/34/596856634.db2.gz WQSPETCBHMDVCG-LZWOXQAQSA-N 2 1 347.415 1.158 20 10 EDCDMP C[N@H+]1CC[C@H]2CN(Cc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@H]21 ZINC000877743973 597552404 /nfs/dbraw/zinc/55/24/04/597552404.db2.gz ZCWQSBRKJTVODA-AZUAARDMSA-N 2 1 328.504 1.964 20 10 EDCDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@H]21 ZINC000877743973 597552405 /nfs/dbraw/zinc/55/24/05/597552405.db2.gz ZCWQSBRKJTVODA-AZUAARDMSA-N 3 1 328.504 1.964 20 10 EDCDMP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@H]21 ZINC000877743973 597552406 /nfs/dbraw/zinc/55/24/06/597552406.db2.gz ZCWQSBRKJTVODA-AZUAARDMSA-N 3 1 328.504 1.964 20 10 EDCDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@H]21 ZINC000877743973 597552407 /nfs/dbraw/zinc/55/24/07/597552407.db2.gz ZCWQSBRKJTVODA-AZUAARDMSA-N 3 1 328.504 1.964 20 10 EDCDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@H]21 ZINC000877743973 597552408 /nfs/dbraw/zinc/55/24/08/597552408.db2.gz ZCWQSBRKJTVODA-AZUAARDMSA-N 3 1 328.504 1.964 20 10 EDCDMP CC[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)C1 ZINC000371381991 446822190 /nfs/dbraw/zinc/82/21/90/446822190.db2.gz XGNHYTRZFCAKBY-IBGZPJMESA-N 2 1 347.503 1.847 20 10 EDCDMP CC[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)C1 ZINC000371381991 446822199 /nfs/dbraw/zinc/82/21/99/446822199.db2.gz XGNHYTRZFCAKBY-IBGZPJMESA-N 2 1 347.503 1.847 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC4(CCOCC4)C3)cc2)CC1 ZINC000775736046 580399018 /nfs/dbraw/zinc/39/90/18/580399018.db2.gz JTTDZGJRAXVKHC-UHFFFAOYSA-N 2 1 345.487 1.820 20 10 EDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1(CO)CCOCC1 ZINC000827907548 594301535 /nfs/dbraw/zinc/30/15/35/594301535.db2.gz BGEWUXZOOZLCSY-UHFFFAOYSA-N 2 1 333.476 1.412 20 10 EDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000844222932 595307216 /nfs/dbraw/zinc/30/72/16/595307216.db2.gz NNPAFYVMFLYPID-WDSOQIARSA-N 2 1 344.503 1.770 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[NH2+][C@H]3C[C@H]([NH3+])C3(C)C)CC2)cc1 ZINC000883442487 597748715 /nfs/dbraw/zinc/74/87/15/597748715.db2.gz MDBBOKVJFRJEQS-IRXDYDNUSA-N 2 1 346.475 1.059 20 10 EDCDMP CN(C)c1ccc(C[N@@H+](CCC(=O)N2CCN(C)CC2)C2CC2)cc1 ZINC000283442093 443634104 /nfs/dbraw/zinc/63/41/04/443634104.db2.gz GZKUPNKILOXWLI-UHFFFAOYSA-N 2 1 344.503 1.881 20 10 EDCDMP CN(C)c1ccc(C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000283442093 443634107 /nfs/dbraw/zinc/63/41/07/443634107.db2.gz GZKUPNKILOXWLI-UHFFFAOYSA-N 2 1 344.503 1.881 20 10 EDCDMP CN(C)c1ccc(C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C2CC2)cc1 ZINC000283442093 443634110 /nfs/dbraw/zinc/63/41/10/443634110.db2.gz GZKUPNKILOXWLI-UHFFFAOYSA-N 2 1 344.503 1.881 20 10 EDCDMP COc1cc(Br)cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000762567291 578655960 /nfs/dbraw/zinc/65/59/60/578655960.db2.gz CSUDJMSLDPRJDY-CQSZACIVSA-N 2 1 345.237 1.320 20 10 EDCDMP COc1cc(Br)cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000762567291 578655961 /nfs/dbraw/zinc/65/59/61/578655961.db2.gz CSUDJMSLDPRJDY-CQSZACIVSA-N 2 1 345.237 1.320 20 10 EDCDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768461842 580213711 /nfs/dbraw/zinc/21/37/11/580213711.db2.gz GCHUZXSDOVXQGL-HAYUQVRISA-N 2 1 348.443 1.502 20 10 EDCDMP CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779214615 580481270 /nfs/dbraw/zinc/48/12/70/580481270.db2.gz CKWDOWUGOJEYMA-LJQANCHMSA-N 2 1 344.503 1.881 20 10 EDCDMP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779214615 580481271 /nfs/dbraw/zinc/48/12/71/580481271.db2.gz CKWDOWUGOJEYMA-LJQANCHMSA-N 2 1 344.503 1.881 20 10 EDCDMP COc1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c(O)c1OC ZINC000892115698 590807550 /nfs/dbraw/zinc/80/75/50/590807550.db2.gz RLRVIBRGULZPPV-CQSZACIVSA-N 2 1 336.432 1.564 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CC[NH2+]C(C)C)CC2)cc1 ZINC000829504571 594627586 /nfs/dbraw/zinc/62/75/86/594627586.db2.gz FTCCIKDMXAWNTI-UHFFFAOYSA-N 2 1 348.491 1.322 20 10 EDCDMP Cc1cccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1O ZINC000843056930 595276475 /nfs/dbraw/zinc/27/64/75/595276475.db2.gz CMHCLHPOWTVGJW-WBVHZDCISA-N 2 1 331.460 1.781 20 10 EDCDMP CCOc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c(O)c1 ZINC000843122886 595292417 /nfs/dbraw/zinc/29/24/17/595292417.db2.gz WFNYNHLRWWTGNQ-HNNXBMFYSA-N 2 1 335.448 1.610 20 10 EDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000844225888 595309640 /nfs/dbraw/zinc/30/96/40/595309640.db2.gz WZOFPSBERDFDKW-MSOLQXFVSA-N 2 1 344.503 1.690 20 10 EDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000273432954 443572767 /nfs/dbraw/zinc/57/27/67/443572767.db2.gz WIMJEQMQCJTESS-CQSZACIVSA-N 2 1 335.448 1.467 20 10 EDCDMP COc1cc(C)cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000754732932 579910381 /nfs/dbraw/zinc/91/03/81/579910381.db2.gz XIBVCAXDEXMUKK-KRWDZBQOSA-N 2 1 333.476 1.921 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]34CCOC4=O)cc2)CC1 ZINC000779199320 580480844 /nfs/dbraw/zinc/48/08/44/580480844.db2.gz XVNQAKNNVYKFOB-IBGZPJMESA-N 2 1 329.444 1.720 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]34CCOC4=O)cc2)CC1 ZINC000779199320 580480845 /nfs/dbraw/zinc/48/08/45/580480845.db2.gz XVNQAKNNVYKFOB-IBGZPJMESA-N 2 1 329.444 1.720 20 10 EDCDMP Oc1cc2c(cc1C[NH2+]C1CCC([NH+]3CCNCC3)CC1)OCO2 ZINC000841086658 594849065 /nfs/dbraw/zinc/84/90/65/594849065.db2.gz BXXTUXWMUFZALF-UHFFFAOYSA-N 2 1 333.432 1.427 20 10 EDCDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843048137 595273734 /nfs/dbraw/zinc/27/37/34/595273734.db2.gz OYBJXBJYIQALKJ-JTQLQIEISA-N 2 1 329.803 1.472 20 10 EDCDMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000843048137 595273737 /nfs/dbraw/zinc/27/37/37/595273737.db2.gz OYBJXBJYIQALKJ-JTQLQIEISA-N 2 1 329.803 1.472 20 10 EDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000844220535 595305735 /nfs/dbraw/zinc/30/57/35/595305735.db2.gz HFCHJNHMRYPEQN-UHFFFAOYSA-N 2 1 332.492 1.913 20 10 EDCDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(OC)c(OC)cc3O)C2)CC1 ZINC000160157450 441862407 /nfs/dbraw/zinc/86/24/07/441862407.db2.gz QCLMXLQDOVENOV-MRXNPFEDSA-N 2 1 349.475 1.621 20 10 EDCDMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000268807809 443114940 /nfs/dbraw/zinc/11/49/40/443114940.db2.gz DCUVVYFJQWLMDA-VQIMIIECSA-N 2 1 333.476 1.631 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCN(C(N)=O)CC3)cc2)CC1 ZINC000775668751 580396761 /nfs/dbraw/zinc/39/67/61/580396761.db2.gz KFGNHXRIQSTPRF-UHFFFAOYSA-N 2 1 331.464 1.025 20 10 EDCDMP CCCN1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000788268598 580715416 /nfs/dbraw/zinc/71/54/16/580715416.db2.gz DUEAWFCBZONAAC-UHFFFAOYSA-N 2 1 344.503 1.883 20 10 EDCDMP CCCN1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000788268598 580715417 /nfs/dbraw/zinc/71/54/17/580715417.db2.gz DUEAWFCBZONAAC-UHFFFAOYSA-N 2 1 344.503 1.883 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000789767742 580753007 /nfs/dbraw/zinc/75/30/07/580753007.db2.gz JLGQBXLXIQPZTM-IBGZPJMESA-N 2 1 328.460 1.150 20 10 EDCDMP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000902517384 592009451 /nfs/dbraw/zinc/00/94/51/592009451.db2.gz LJGLEOHHSPEUIT-AYBZRNKSSA-N 2 1 334.508 1.712 20 10 EDCDMP COc1cc(O)c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1OC ZINC000827700670 594260328 /nfs/dbraw/zinc/26/03/28/594260328.db2.gz WQIISHYXAGHJSS-OAHLLOKOSA-N 2 1 336.432 1.440 20 10 EDCDMP COc1ccc(N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1F ZINC000852746648 596237661 /nfs/dbraw/zinc/23/76/61/596237661.db2.gz NSEVTWGNSQBVGU-OAHLLOKOSA-N 2 1 335.423 1.477 20 10 EDCDMP COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862475674 596334378 /nfs/dbraw/zinc/33/43/78/596334378.db2.gz SQGACFMEZYLKJH-LJQANCHMSA-N 2 1 347.459 1.202 20 10 EDCDMP Cn1ncnc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000877120239 597437282 /nfs/dbraw/zinc/43/72/82/597437282.db2.gz FLBAAKAUXJYPTR-UHFFFAOYSA-N 2 1 340.475 1.637 20 10 EDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000273574613 443580283 /nfs/dbraw/zinc/58/02/83/443580283.db2.gz LKJVGMJZVYGETA-AWEZNQCLSA-N 2 1 349.475 1.855 20 10 EDCDMP COc1ccc(N2CC[NH+](CCCN[C@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000756103298 579943592 /nfs/dbraw/zinc/94/35/92/579943592.db2.gz BHRDLRHOYWPAPT-XLIONFOSSA-N 2 1 346.519 1.747 20 10 EDCDMP COc1ccc(N2CC[NH+](CCCN[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000756103298 579943593 /nfs/dbraw/zinc/94/35/93/579943593.db2.gz BHRDLRHOYWPAPT-XLIONFOSSA-N 2 1 346.519 1.747 20 10 EDCDMP Cc1[nH+]ccn1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250295 591019808 /nfs/dbraw/zinc/01/98/08/591019808.db2.gz WIWZIJDSMGLBJV-KRWDZBQOSA-N 2 1 329.448 1.677 20 10 EDCDMP O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C[NH+]1CCCC1 ZINC000863551583 596615220 /nfs/dbraw/zinc/61/52/20/596615220.db2.gz OAIFCBZWLVCDSV-GOSISDBHSA-N 2 1 335.517 1.786 20 10 EDCDMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)C1 ZINC000361460767 250173976 /nfs/dbraw/zinc/17/39/76/250173976.db2.gz AJUJGFFFLSJWRI-HNNXBMFYSA-N 2 1 333.432 1.333 20 10 EDCDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)C1 ZINC000361460767 250173979 /nfs/dbraw/zinc/17/39/79/250173979.db2.gz AJUJGFFFLSJWRI-HNNXBMFYSA-N 2 1 333.432 1.333 20 10 EDCDMP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1CC[NH3+] ZINC000903497428 592188277 /nfs/dbraw/zinc/18/82/77/592188277.db2.gz WIWFFQSLEGLRLB-NVXWUHKLSA-N 2 1 332.492 1.628 20 10 EDCDMP C[C@H]([NH3+])c1nc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000911665950 592973514 /nfs/dbraw/zinc/97/35/14/592973514.db2.gz GDPHXLMZGABPNG-GXFFZTMASA-N 2 1 333.461 1.659 20 10 EDCDMP CCc1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1O ZINC000848910907 595466437 /nfs/dbraw/zinc/46/64/37/595466437.db2.gz OGAPHPHKLCPSAO-UHFFFAOYSA-N 2 1 345.487 1.941 20 10 EDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872256973 596857585 /nfs/dbraw/zinc/85/75/85/596857585.db2.gz GUMSRFKFWSWCLJ-KSZLIROESA-N 2 1 344.459 1.428 20 10 EDCDMP CCC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000272467204 443328624 /nfs/dbraw/zinc/32/86/24/443328624.db2.gz PPJVAIOEJBLJLW-KRWDZBQOSA-N 2 1 334.464 1.061 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](N4CCOC4=O)C3)cc2)CC1 ZINC000826999715 594620332 /nfs/dbraw/zinc/62/03/32/594620332.db2.gz ACTGIOZMUBQNPD-GOSISDBHSA-N 2 1 344.459 1.465 20 10 EDCDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921690485 707720293 /nfs/dbraw/zinc/72/02/93/707720293.db2.gz NIQOTORJPYPOEQ-QGZVFWFLSA-N 2 1 331.460 1.689 20 10 EDCDMP CCC[C@](C)([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000272493369 249466212 /nfs/dbraw/zinc/46/62/12/249466212.db2.gz UJAFJXKIXDJMBD-IBGZPJMESA-N 2 1 348.491 1.451 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000269309476 443276970 /nfs/dbraw/zinc/27/69/70/443276970.db2.gz VZGQQFFQYJKHNR-JKSUJKDBSA-N 2 1 346.475 1.061 20 10 EDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000273428392 443571784 /nfs/dbraw/zinc/57/17/84/443571784.db2.gz UZDIMFUKBYRYNV-CQSZACIVSA-N 2 1 349.475 1.855 20 10 EDCDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)CC1 ZINC000768464553 580214031 /nfs/dbraw/zinc/21/40/31/580214031.db2.gz BFHRJQOJJZYWIG-RDTXWAMCSA-N 2 1 332.444 1.982 20 10 EDCDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@]2(CCOC2)O1 ZINC000793361280 580842846 /nfs/dbraw/zinc/84/28/46/580842846.db2.gz GNYKGFRFBQQTSE-XLIONFOSSA-N 2 1 345.487 1.818 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C4OCCO4)C3)cc2)CC1 ZINC000896386734 591446726 /nfs/dbraw/zinc/44/67/26/591446726.db2.gz NZRJVTJTTVMMFR-KRWDZBQOSA-N 2 1 331.460 1.633 20 10 EDCDMP CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000816635183 593536469 /nfs/dbraw/zinc/53/64/69/593536469.db2.gz GGIINWFBRBXKLP-SFHVURJKSA-N 2 1 349.450 1.771 20 10 EDCDMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1)[C@@H]1CCC[NH2+]1 ZINC000843057918 595276494 /nfs/dbraw/zinc/27/64/94/595276494.db2.gz NYKAMJQJTNTNQK-CJNGLKHVSA-N 2 1 335.423 1.612 20 10 EDCDMP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1)[C@@H]1CCC[NH2+]1 ZINC000843057918 595276495 /nfs/dbraw/zinc/27/64/95/595276495.db2.gz NYKAMJQJTNTNQK-CJNGLKHVSA-N 2 1 335.423 1.612 20 10 EDCDMP COC[C@@]1(C)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000862550555 596344630 /nfs/dbraw/zinc/34/46/30/596344630.db2.gz FKQHRAIPJDUGAO-LJQANCHMSA-N 2 1 333.476 1.676 20 10 EDCDMP CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000797605949 580978143 /nfs/dbraw/zinc/97/81/43/580978143.db2.gz WJZIEPYUGMHNNH-IBGZPJMESA-N 2 1 330.476 1.396 20 10 EDCDMP Cc1cc(Br)c(O)c(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000841044385 594843561 /nfs/dbraw/zinc/84/35/61/594843561.db2.gz DPSTYNHNYXZPMC-UHFFFAOYSA-N 2 1 328.254 1.458 20 10 EDCDMP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000853122353 595672075 /nfs/dbraw/zinc/67/20/75/595672075.db2.gz OQBWHAABRUZZIT-IBGZPJMESA-N 2 1 333.476 1.192 20 10 EDCDMP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000853122353 595672077 /nfs/dbraw/zinc/67/20/77/595672077.db2.gz OQBWHAABRUZZIT-IBGZPJMESA-N 2 1 333.476 1.192 20 10 EDCDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000853245157 595718820 /nfs/dbraw/zinc/71/88/20/595718820.db2.gz ULVYQSXLEHCMJL-INIZCTEOSA-N 2 1 349.523 1.824 20 10 EDCDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000853245157 595718824 /nfs/dbraw/zinc/71/88/24/595718824.db2.gz ULVYQSXLEHCMJL-INIZCTEOSA-N 2 1 349.523 1.824 20 10 EDCDMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000863649215 596644598 /nfs/dbraw/zinc/64/45/98/596644598.db2.gz WTFWHKXJWFCRMQ-UHFFFAOYSA-N 2 1 327.432 1.921 20 10 EDCDMP COc1ccc(N2CCN(C(=O)C[NH2+][C@H]3C[C@@H]([NH3+])C3(C)C)CC2)cc1 ZINC000883442488 597748561 /nfs/dbraw/zinc/74/85/61/597748561.db2.gz MDBBOKVJFRJEQS-SJORKVTESA-N 2 1 346.475 1.059 20 10 EDCDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000274613153 443608528 /nfs/dbraw/zinc/60/85/28/443608528.db2.gz KOJSKBWHZUCORN-LSDHHAIUSA-N 2 1 349.475 1.855 20 10 EDCDMP COc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000370697977 446392439 /nfs/dbraw/zinc/39/24/39/446392439.db2.gz MJIZXFDHZCTSBH-NVXWUHKLSA-N 2 1 333.476 1.859 20 10 EDCDMP COc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000756550384 579952264 /nfs/dbraw/zinc/95/22/64/579952264.db2.gz REBVFFMTXPYFCO-KGLIPLIRSA-N 2 1 335.448 1.639 20 10 EDCDMP CN(C)c1ccc([C@H](CNC(=O)CC[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000891254543 591021634 /nfs/dbraw/zinc/02/16/34/591021634.db2.gz ZHWLKWDCRCYYKV-SFHVURJKSA-N 2 1 348.491 1.194 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)CCCC[NH3+])CC2)cc1 ZINC000829505631 594628032 /nfs/dbraw/zinc/62/80/32/594628032.db2.gz OOFSWBDZWTXLSM-UHFFFAOYSA-N 2 1 334.464 1.062 20 10 EDCDMP CN(C)c1ccc(/C=C/C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000835038239 595251179 /nfs/dbraw/zinc/25/11/79/595251179.db2.gz PHYPRZNFXSCFGC-SNAWJCMRSA-N 2 1 330.476 1.520 20 10 EDCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844218894 595305383 /nfs/dbraw/zinc/30/53/83/595305383.db2.gz DUAGRFHTKDYSGM-NVXWUHKLSA-N 2 1 332.492 1.770 20 10 EDCDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000844218894 595305384 /nfs/dbraw/zinc/30/53/84/595305384.db2.gz DUAGRFHTKDYSGM-NVXWUHKLSA-N 2 1 332.492 1.770 20 10 EDCDMP Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852742534 596237162 /nfs/dbraw/zinc/23/71/62/596237162.db2.gz JPSLKCRYZWWRJZ-IRXDYDNUSA-N 2 1 332.444 1.894 20 10 EDCDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851442 597754447 /nfs/dbraw/zinc/75/44/47/597754447.db2.gz KEGBXMCISJNVKL-LJQANCHMSA-N 2 1 344.503 1.929 20 10 EDCDMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881851439 597754709 /nfs/dbraw/zinc/75/47/09/597754709.db2.gz KEGBXMCISJNVKL-IBGZPJMESA-N 2 1 344.503 1.929 20 10 EDCDMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000178671373 442454675 /nfs/dbraw/zinc/45/46/75/442454675.db2.gz YJDWYWBOWXHDIC-SFHVURJKSA-N 2 1 332.492 1.957 20 10 EDCDMP COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c1 ZINC000273621908 443583007 /nfs/dbraw/zinc/58/30/07/443583007.db2.gz ZJSFNTRLBDEDKO-KGLIPLIRSA-N 2 1 335.448 1.465 20 10 EDCDMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)C1 ZINC000768444621 580212993 /nfs/dbraw/zinc/21/29/93/580212993.db2.gz ASLZGRAVMDTMTE-YJBOKZPZSA-N 2 1 347.459 1.030 20 10 EDCDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)C1 ZINC000768444621 580212994 /nfs/dbraw/zinc/21/29/94/580212994.db2.gz ASLZGRAVMDTMTE-YJBOKZPZSA-N 2 1 347.459 1.030 20 10 EDCDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)CC1 ZINC000768464551 580213977 /nfs/dbraw/zinc/21/39/77/580213977.db2.gz BFHRJQOJJZYWIG-KSSFIOAISA-N 2 1 332.444 1.982 20 10 EDCDMP CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779432547 580485550 /nfs/dbraw/zinc/48/55/50/580485550.db2.gz USSJJPUVWINHEV-UHFFFAOYSA-N 2 1 333.480 1.141 20 10 EDCDMP C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895119068 591598805 /nfs/dbraw/zinc/59/88/05/591598805.db2.gz UPYTWMJZSRDTJW-ARFHVFGLSA-N 2 1 330.476 1.536 20 10 EDCDMP C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895119068 591598807 /nfs/dbraw/zinc/59/88/07/591598807.db2.gz UPYTWMJZSRDTJW-ARFHVFGLSA-N 2 1 330.476 1.536 20 10 EDCDMP COc1ccc(N(C)CC[N@@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903768665 592309946 /nfs/dbraw/zinc/30/99/46/592309946.db2.gz OSDQPHPSZIKGBA-MOPGFXCFSA-N 2 1 333.476 1.832 20 10 EDCDMP COc1cccc(O)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980256 592400816 /nfs/dbraw/zinc/40/08/16/592400816.db2.gz MACAUTBZJBIAPH-IYBDPMFKSA-N 2 1 331.460 1.801 20 10 EDCDMP COc1cccc(O)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980256 592400819 /nfs/dbraw/zinc/40/08/19/592400819.db2.gz MACAUTBZJBIAPH-IYBDPMFKSA-N 2 1 331.460 1.801 20 10 EDCDMP COc1cccc(O)c1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980256 592400822 /nfs/dbraw/zinc/40/08/22/592400822.db2.gz MACAUTBZJBIAPH-IYBDPMFKSA-N 2 1 331.460 1.801 20 10 EDCDMP CCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000272467207 443328709 /nfs/dbraw/zinc/32/87/09/443328709.db2.gz PPJVAIOEJBLJLW-QGZVFWFLSA-N 2 1 334.464 1.061 20 10 EDCDMP COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)c1 ZINC000273621912 443583430 /nfs/dbraw/zinc/58/34/30/443583430.db2.gz ZJSFNTRLBDEDKO-ZIAGYGMSSA-N 2 1 335.448 1.465 20 10 EDCDMP CN(C)c1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+]2C)[NH+](C)C)cc1 ZINC000892330778 590955937 /nfs/dbraw/zinc/95/59/37/590955937.db2.gz NELAJJCYQQKZFG-MSOLQXFVSA-N 2 1 347.507 1.749 20 10 EDCDMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517412 592009133 /nfs/dbraw/zinc/00/91/33/592009133.db2.gz LTSSPCOGLWQQFJ-WQANXHIZSA-N 2 1 334.508 1.697 20 10 EDCDMP COc1ccc(N2CCC[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903736028 592298749 /nfs/dbraw/zinc/29/87/49/592298749.db2.gz FZKLYWWKLFKFTP-WOJBJXKFSA-N 2 1 345.487 1.976 20 10 EDCDMP CN(CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)CC[NH+](C)C ZINC000809788114 593358967 /nfs/dbraw/zinc/35/89/67/593358967.db2.gz NMRVUXDMFPIVJL-UHFFFAOYSA-N 2 1 348.535 1.839 20 10 EDCDMP COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862475673 596334898 /nfs/dbraw/zinc/33/48/98/596334898.db2.gz SQGACFMEZYLKJH-IBGZPJMESA-N 2 1 347.459 1.202 20 10 EDCDMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000883161179 597672823 /nfs/dbraw/zinc/67/28/23/597672823.db2.gz LFBANQJCCCPRGM-SFHVURJKSA-N 2 1 335.492 1.706 20 10 EDCDMP C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883204744 597685310 /nfs/dbraw/zinc/68/53/10/597685310.db2.gz HGAVPOREBNUJTO-SFHVURJKSA-N 2 1 345.491 1.332 20 10 EDCDMP COc1cc(O)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1OC ZINC000179598956 442479852 /nfs/dbraw/zinc/47/98/52/442479852.db2.gz BETLLGYGLABSIE-UHFFFAOYSA-N 2 1 349.475 1.623 20 10 EDCDMP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000103461772 528084176 /nfs/dbraw/zinc/08/41/76/528084176.db2.gz KWLZMAUUONWLNZ-UHFFFAOYSA-N 2 1 333.476 1.995 20 10 EDCDMP Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000762792020 580083445 /nfs/dbraw/zinc/08/34/45/580083445.db2.gz ZELRSMLPTYKGAK-AWEZNQCLSA-N 2 1 329.238 1.619 20 10 EDCDMP Cc1cc(Br)cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000762792020 580083446 /nfs/dbraw/zinc/08/34/46/580083446.db2.gz ZELRSMLPTYKGAK-AWEZNQCLSA-N 2 1 329.238 1.619 20 10 EDCDMP COC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C)O1 ZINC000784668630 580625855 /nfs/dbraw/zinc/62/58/55/580625855.db2.gz SFKUEZGISDHFKP-VQIMIIECSA-N 2 1 333.476 1.674 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)cc2)CC1 ZINC000787423446 580695134 /nfs/dbraw/zinc/69/51/34/580695134.db2.gz NEOKVHKLRSNUFT-UHOSZYNNSA-N 2 1 342.487 1.524 20 10 EDCDMP CC[N@@H+](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)C1CC1 ZINC000891252333 591020721 /nfs/dbraw/zinc/02/07/21/591020721.db2.gz JNOAHHPHKMKACP-SFHVURJKSA-N 2 1 332.492 1.956 20 10 EDCDMP O=C([C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1)N1CC[NH2+]CC1 ZINC000843047541 595273042 /nfs/dbraw/zinc/27/30/42/595273042.db2.gz VLXPTKPFIXSIBC-ZDUSSCGKSA-N 2 1 337.851 1.689 20 10 EDCDMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000863540083 596612972 /nfs/dbraw/zinc/61/29/72/596612972.db2.gz ADOVRNLAWZQZFP-AWEZNQCLSA-N 2 1 337.439 1.821 20 10 EDCDMP COc1c(O)c(C[NH2+]CCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000278524445 443352862 /nfs/dbraw/zinc/35/28/62/443352862.db2.gz SUCUGCSUJPGVGM-UHFFFAOYSA-N 2 1 338.408 1.036 20 10 EDCDMP COc1ccc(N2CC[NH+](CCCN[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000756103296 579943570 /nfs/dbraw/zinc/94/35/70/579943570.db2.gz BHRDLRHOYWPAPT-PXNSSMCTSA-N 2 1 346.519 1.747 20 10 EDCDMP COc1ccc(N2CC[NH+](CCCN[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000756103296 579943571 /nfs/dbraw/zinc/94/35/71/579943571.db2.gz BHRDLRHOYWPAPT-PXNSSMCTSA-N 2 1 346.519 1.747 20 10 EDCDMP C[N@H+](CC(=O)N1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644871 580396029 /nfs/dbraw/zinc/39/60/29/580396029.db2.gz SQKKPCZHONHQHB-UHFFFAOYSA-N 2 1 330.476 1.493 20 10 EDCDMP C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775644871 580396030 /nfs/dbraw/zinc/39/60/30/580396030.db2.gz SQKKPCZHONHQHB-UHFFFAOYSA-N 2 1 330.476 1.493 20 10 EDCDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1N=NC(=O)N1C ZINC000895176827 591642201 /nfs/dbraw/zinc/64/22/01/591642201.db2.gz PCCBLXLVFGIEQQ-ZDUSSCGKSA-N 2 1 330.436 1.123 20 10 EDCDMP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Cl)c(Cl)cc1O ZINC000817945718 593651053 /nfs/dbraw/zinc/65/10/53/593651053.db2.gz KHPXEHVDJJUHOX-SECBINFHSA-N 2 1 332.231 1.781 20 10 EDCDMP CC(C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCC(=O)N1 ZINC000840975353 594834376 /nfs/dbraw/zinc/83/43/76/594834376.db2.gz GIGCNNDPZRLBAI-GOSISDBHSA-N 2 1 344.503 1.927 20 10 EDCDMP CCOc1cccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000841099548 594850942 /nfs/dbraw/zinc/85/09/42/594850942.db2.gz LSVHYHTVZOFHKW-HNNXBMFYSA-N 2 1 331.420 1.678 20 10 EDCDMP O=C([C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)N1CC[NH2+]CC1 ZINC000843046967 595273116 /nfs/dbraw/zinc/27/31/16/595273116.db2.gz JKGJLOMAFGFQLV-CYBMUJFWSA-N 2 1 337.851 1.689 20 10 EDCDMP COC[C@]1(C)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000862550554 596344825 /nfs/dbraw/zinc/34/48/25/596344825.db2.gz FKQHRAIPJDUGAO-IBGZPJMESA-N 2 1 333.476 1.676 20 10 EDCDMP CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000877676246 597546852 /nfs/dbraw/zinc/54/68/52/597546852.db2.gz ZLZGNHKSKOGEEL-HXUWFJFHSA-N 2 1 344.503 1.929 20 10 EDCDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1=CC(=O)CS1 ZINC000732281265 578702479 /nfs/dbraw/zinc/70/24/79/578702479.db2.gz VZPQPMZEEOTNNB-CYBMUJFWSA-N 2 1 325.478 1.942 20 10 EDCDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1=CC(=O)CS1 ZINC000732281265 578702480 /nfs/dbraw/zinc/70/24/80/578702480.db2.gz VZPQPMZEEOTNNB-CYBMUJFWSA-N 2 1 325.478 1.942 20 10 EDCDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000762557262 580077389 /nfs/dbraw/zinc/07/73/89/580077389.db2.gz XSBHDFUGPCFGFH-GOSISDBHSA-N 2 1 348.447 1.741 20 10 EDCDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000762557262 580077390 /nfs/dbraw/zinc/07/73/90/580077390.db2.gz XSBHDFUGPCFGFH-GOSISDBHSA-N 2 1 348.447 1.741 20 10 EDCDMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775648848 580396296 /nfs/dbraw/zinc/39/62/96/580396296.db2.gz GRBJSWKBZKLUHE-NVXWUHKLSA-N 2 1 330.476 1.524 20 10 EDCDMP CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783740775 580605035 /nfs/dbraw/zinc/60/50/35/580605035.db2.gz MOMXGTOQCKZFFR-FQEVSTJZSA-N 2 1 344.503 1.929 20 10 EDCDMP CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783740775 580605036 /nfs/dbraw/zinc/60/50/36/580605036.db2.gz MOMXGTOQCKZFFR-FQEVSTJZSA-N 2 1 344.503 1.929 20 10 EDCDMP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817945501 593651010 /nfs/dbraw/zinc/65/10/10/593651010.db2.gz FDGJOCZBFQYCDU-SNVBAGLBSA-N 2 1 331.338 1.493 20 10 EDCDMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844223978 595308152 /nfs/dbraw/zinc/30/81/52/595308152.db2.gz DDPDSJSPOKABNK-INMHGKMJSA-N 2 1 332.492 1.674 20 10 EDCDMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844223978 595308153 /nfs/dbraw/zinc/30/81/53/595308153.db2.gz DDPDSJSPOKABNK-INMHGKMJSA-N 2 1 332.492 1.674 20 10 EDCDMP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844225988 595309819 /nfs/dbraw/zinc/30/98/19/595309819.db2.gz KGZUWCNJHRNPJF-DOTOQJQBSA-N 2 1 332.492 1.628 20 10 EDCDMP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844225988 595309822 /nfs/dbraw/zinc/30/98/22/595309822.db2.gz KGZUWCNJHRNPJF-DOTOQJQBSA-N 2 1 332.492 1.628 20 10 EDCDMP CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783740779 580605039 /nfs/dbraw/zinc/60/50/39/580605039.db2.gz MOMXGTOQCKZFFR-HXUWFJFHSA-N 2 1 344.503 1.929 20 10 EDCDMP CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783740779 580605040 /nfs/dbraw/zinc/60/50/40/580605040.db2.gz MOMXGTOQCKZFFR-HXUWFJFHSA-N 2 1 344.503 1.929 20 10 EDCDMP Cc1[nH+]ccn1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250296 591019451 /nfs/dbraw/zinc/01/94/51/591019451.db2.gz WIWZIJDSMGLBJV-QGZVFWFLSA-N 2 1 329.448 1.677 20 10 EDCDMP Cn1ncc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)n1 ZINC000815133479 593617290 /nfs/dbraw/zinc/61/72/90/593617290.db2.gz JYYUINNWSTYNGC-UHFFFAOYSA-N 2 1 340.475 1.637 20 10 EDCDMP CCN(CC)c1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000843046893 595273174 /nfs/dbraw/zinc/27/31/74/595273174.db2.gz HUSBUDIIDONWOM-UHFFFAOYSA-N 2 1 336.455 1.536 20 10 EDCDMP CCN(CC)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000843046893 595273175 /nfs/dbraw/zinc/27/31/75/595273175.db2.gz HUSBUDIIDONWOM-UHFFFAOYSA-N 2 1 336.455 1.536 20 10 EDCDMP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278468449 443340978 /nfs/dbraw/zinc/34/09/78/443340978.db2.gz GQKHLMDYCCUFDT-ZDUSSCGKSA-N 2 1 341.408 1.755 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCN4C(=O)OCC[C@@H]4C3)cc2)CC1 ZINC000775743952 580399352 /nfs/dbraw/zinc/39/93/52/580399352.db2.gz HVHIERLZHBCUMR-GOSISDBHSA-N 2 1 344.459 1.465 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCN4C(=O)OCC[C@@H]4C3)cc2)CC1 ZINC000775743952 580399353 /nfs/dbraw/zinc/39/93/53/580399353.db2.gz HVHIERLZHBCUMR-GOSISDBHSA-N 2 1 344.459 1.465 20 10 EDCDMP COc1cc(O)c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1OC ZINC000894377617 591295372 /nfs/dbraw/zinc/29/53/72/591295372.db2.gz CNMHINJAPRTQGJ-UHFFFAOYSA-N 2 1 337.464 1.527 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C4OCCO4)C3)cc2)CC1 ZINC000896386735 591446577 /nfs/dbraw/zinc/44/65/77/591446577.db2.gz NZRJVTJTTVMMFR-QGZVFWFLSA-N 2 1 331.460 1.633 20 10 EDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(N(C)C)cc1C)C2 ZINC000903977686 592399257 /nfs/dbraw/zinc/39/92/57/592399257.db2.gz WAQPSMMMTPEOLC-FCEWJHQRSA-N 2 1 331.460 1.773 20 10 EDCDMP CN(C)c1ccc([C@@H](CNC[C@H](O)C[N@@H+](C)C2CC2)[NH+](C)C)cc1 ZINC000905703274 592616154 /nfs/dbraw/zinc/61/61/54/592616154.db2.gz HJORPCAHKAXDDM-RBUKOAKNSA-N 2 1 334.508 1.400 20 10 EDCDMP C[C@@H]1C[N@H+](C)C[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146875 593264208 /nfs/dbraw/zinc/26/42/08/593264208.db2.gz YPEPNWDWLUPAES-MLGOLLRUSA-N 2 1 325.403 1.841 20 10 EDCDMP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146875 593264210 /nfs/dbraw/zinc/26/42/10/593264210.db2.gz YPEPNWDWLUPAES-MLGOLLRUSA-N 2 1 325.403 1.841 20 10 EDCDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(N3CCOCC3)cc1)CCO2 ZINC000843432317 595109325 /nfs/dbraw/zinc/10/93/25/595109325.db2.gz WEUJFFQFLOHCNK-UHFFFAOYSA-N 2 1 345.487 1.820 20 10 EDCDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000844903172 595411200 /nfs/dbraw/zinc/41/12/00/595411200.db2.gz UFSQYCOTTBPNGA-XPKDYRNWSA-N 2 1 334.416 1.839 20 10 EDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000873290902 597249231 /nfs/dbraw/zinc/24/92/31/597249231.db2.gz BRGZFEIVIIESOP-DZGCQCFKSA-N 2 1 348.443 1.988 20 10 EDCDMP C[N@@H+](CCN1CCOCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775674646 580396916 /nfs/dbraw/zinc/39/69/16/580396916.db2.gz HHZRNMABEXHKMQ-UHFFFAOYSA-N 2 1 332.492 1.202 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)Cc3cccnc3)cc2)CC1 ZINC000775677819 580396925 /nfs/dbraw/zinc/39/69/25/580396925.db2.gz RLVXPSUKEBLIMY-UHFFFAOYSA-N 2 1 340.471 1.828 20 10 EDCDMP COc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c(O)c1OC ZINC000892115696 590807580 /nfs/dbraw/zinc/80/75/80/590807580.db2.gz RLRVIBRGULZPPV-AWEZNQCLSA-N 2 1 336.432 1.564 20 10 EDCDMP CN(C)c1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000892237911 590881287 /nfs/dbraw/zinc/88/12/87/590881287.db2.gz TYPQOSNVQIZDSU-AEFFLSMTSA-N 2 1 347.507 1.749 20 10 EDCDMP CN(C)c1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2C)[NH+](C)C)cc1 ZINC000896620273 591554929 /nfs/dbraw/zinc/55/49/29/591554929.db2.gz PLNBKRYIAZENTC-DLBZAZTESA-N 2 1 333.480 1.359 20 10 EDCDMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000178671388 442454684 /nfs/dbraw/zinc/45/46/84/442454684.db2.gz YJDWYWBOWXHDIC-GOSISDBHSA-N 2 1 332.492 1.957 20 10 EDCDMP COc1cccc(O)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000769528315 580239099 /nfs/dbraw/zinc/23/90/99/580239099.db2.gz UZHIXNDBKCRADQ-WBVHZDCISA-N 2 1 333.476 1.859 20 10 EDCDMP C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000789762906 580752962 /nfs/dbraw/zinc/75/29/62/580752962.db2.gz ANDYERYLAIKSTG-SFHVURJKSA-N 2 1 346.519 1.591 20 10 EDCDMP C[C@@H](O)C[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000793588280 580848277 /nfs/dbraw/zinc/84/82/77/580848277.db2.gz IHPWXPGJTOZDKG-ZWKOTPCHSA-N 2 1 346.519 1.325 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CS(=O)(=O)C3(C)C)cc2)CC1 ZINC000895980886 591317337 /nfs/dbraw/zinc/31/73/37/591317337.db2.gz BGMBNSXKAHYSIS-INIZCTEOSA-N 2 1 337.489 1.104 20 10 EDCDMP C[C@@H]1[C@@H](NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@H+]1C ZINC000896618677 591553960 /nfs/dbraw/zinc/55/39/60/591553960.db2.gz RBVIGKTVRSWHKJ-FHLIZLRMSA-N 2 1 347.507 1.747 20 10 EDCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903731884 592288512 /nfs/dbraw/zinc/28/85/12/592288512.db2.gz ARPWBCTYQFHKDE-VQTJNVASSA-N 2 1 345.487 1.724 20 10 EDCDMP Cc1cc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1N(C)C ZINC000815073787 593613601 /nfs/dbraw/zinc/61/36/01/593613601.db2.gz AHUCRFXIXRSDHS-IBGZPJMESA-N 2 1 344.503 1.975 20 10 EDCDMP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844225989 595309711 /nfs/dbraw/zinc/30/97/11/595309711.db2.gz KGZUWCNJHRNPJF-NVXWUHKLSA-N 2 1 332.492 1.628 20 10 EDCDMP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844225989 595309712 /nfs/dbraw/zinc/30/97/12/595309712.db2.gz KGZUWCNJHRNPJF-NVXWUHKLSA-N 2 1 332.492 1.628 20 10 EDCDMP COCC[NH2+]C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000844899857 595410339 /nfs/dbraw/zinc/41/03/39/595410339.db2.gz HCVIPHHHJQCMKU-UHFFFAOYSA-N 3 1 346.519 1.639 20 10 EDCDMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1Cn1cccn1 ZINC000873107703 597197406 /nfs/dbraw/zinc/19/74/06/597197406.db2.gz PUHMEMYNRWVING-SFHVURJKSA-N 2 1 330.432 1.096 20 10 EDCDMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000873107703 597197407 /nfs/dbraw/zinc/19/74/07/597197407.db2.gz PUHMEMYNRWVING-SFHVURJKSA-N 2 1 330.432 1.096 20 10 EDCDMP CC[C@@H](c1ccccc1O)[N@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000368811701 447124925 /nfs/dbraw/zinc/12/49/25/447124925.db2.gz YZRDKTDUJQETDU-WMZOPIPTSA-N 2 1 333.476 1.792 20 10 EDCDMP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000756407641 579949589 /nfs/dbraw/zinc/94/95/89/579949589.db2.gz DTSKCAOQOGVDQD-HNNXBMFYSA-N 2 1 349.475 1.857 20 10 EDCDMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465507 580214144 /nfs/dbraw/zinc/21/41/44/580214144.db2.gz IEVHYYBGLRYQAS-RDTXWAMCSA-N 2 1 332.444 1.982 20 10 EDCDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465507 580214145 /nfs/dbraw/zinc/21/41/45/580214145.db2.gz IEVHYYBGLRYQAS-RDTXWAMCSA-N 2 1 332.444 1.982 20 10 EDCDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465507 580214146 /nfs/dbraw/zinc/21/41/46/580214146.db2.gz IEVHYYBGLRYQAS-RDTXWAMCSA-N 2 1 332.444 1.982 20 10 EDCDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465507 580214147 /nfs/dbraw/zinc/21/41/47/580214147.db2.gz IEVHYYBGLRYQAS-RDTXWAMCSA-N 2 1 332.444 1.982 20 10 EDCDMP COc1cccc(O)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000769528314 580239170 /nfs/dbraw/zinc/23/91/70/580239170.db2.gz UZHIXNDBKCRADQ-RDJZCZTQSA-N 2 1 333.476 1.859 20 10 EDCDMP COCCCOCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779604009 580491009 /nfs/dbraw/zinc/49/10/09/580491009.db2.gz QWLVLDVOZCYGFW-UHFFFAOYSA-N 2 1 335.492 1.923 20 10 EDCDMP C[N@@H+](CCc1cnccn1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780895614 580536885 /nfs/dbraw/zinc/53/68/85/580536885.db2.gz YEKCPUKMHNLKAO-UHFFFAOYSA-N 2 1 325.460 1.903 20 10 EDCDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@]2(CCOC2)O1 ZINC000793361279 580842860 /nfs/dbraw/zinc/84/28/60/580842860.db2.gz GNYKGFRFBQQTSE-PXNSSMCTSA-N 2 1 345.487 1.818 20 10 EDCDMP COc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903980096 592400767 /nfs/dbraw/zinc/40/07/67/592400767.db2.gz HEOHGLFJIXEKSY-CALCHBBNSA-N 2 1 331.460 1.801 20 10 EDCDMP COc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903980096 592400769 /nfs/dbraw/zinc/40/07/69/592400769.db2.gz HEOHGLFJIXEKSY-CALCHBBNSA-N 2 1 331.460 1.801 20 10 EDCDMP COc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903980096 592400773 /nfs/dbraw/zinc/40/07/73/592400773.db2.gz HEOHGLFJIXEKSY-CALCHBBNSA-N 2 1 331.460 1.801 20 10 EDCDMP COCC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC[NH2+]CC1 ZINC000841068983 594846781 /nfs/dbraw/zinc/84/67/81/594846781.db2.gz YXNGQGFDZAATQI-UHFFFAOYSA-N 2 1 346.519 1.544 20 10 EDCDMP Oc1c(Br)cccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843121082 595291778 /nfs/dbraw/zinc/29/17/78/595291778.db2.gz FEZLSIHVLKPBOJ-CYBMUJFWSA-N 2 1 340.265 1.634 20 10 EDCDMP Oc1c(Br)cccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843121082 595291780 /nfs/dbraw/zinc/29/17/80/595291780.db2.gz FEZLSIHVLKPBOJ-CYBMUJFWSA-N 2 1 340.265 1.634 20 10 EDCDMP CC[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000844223031 595307184 /nfs/dbraw/zinc/30/71/84/595307184.db2.gz PIHSOJZDHLWFPR-FUHWJXTLSA-N 2 1 332.492 1.770 20 10 EDCDMP CC[C@H]1C[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[C@H]1[NH3+] ZINC000844223031 595307186 /nfs/dbraw/zinc/30/71/86/595307186.db2.gz PIHSOJZDHLWFPR-FUHWJXTLSA-N 2 1 332.492 1.770 20 10 EDCDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H](N3CCOCC3)CC1)OCO2 ZINC000848929941 595468830 /nfs/dbraw/zinc/46/88/30/595468830.db2.gz LQRFBWADIOGTNG-OAHLLOKOSA-N 2 1 334.416 1.808 20 10 EDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000273570604 491239978 /nfs/dbraw/zinc/23/99/78/491239978.db2.gz KMNMIDOSYSGVOP-HNNXBMFYSA-N 2 1 349.475 1.857 20 10 EDCDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000273570604 491239980 /nfs/dbraw/zinc/23/99/80/491239980.db2.gz KMNMIDOSYSGVOP-HNNXBMFYSA-N 2 1 349.475 1.857 20 10 EDCDMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000756411386 579949686 /nfs/dbraw/zinc/94/96/86/579949686.db2.gz OYYRSIHBSKXMSU-LSDHHAIUSA-N 2 1 349.475 1.855 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CCC(N)=O)C3)cc2)CC1 ZINC000775666111 580396661 /nfs/dbraw/zinc/39/66/61/580396661.db2.gz SPLOCLVVVJJXHE-KRWDZBQOSA-N 2 1 344.503 1.916 20 10 EDCDMP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000891252678 591020026 /nfs/dbraw/zinc/02/00/26/591020026.db2.gz MDSYRFKOEAVZIW-MSOLQXFVSA-N 2 1 332.492 1.956 20 10 EDCDMP COc1ccc(N(C)CC[N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903768668 592310286 /nfs/dbraw/zinc/31/02/86/592310286.db2.gz OSDQPHPSZIKGBA-RTBURBONSA-N 2 1 333.476 1.832 20 10 EDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000824501636 594025291 /nfs/dbraw/zinc/02/52/91/594025291.db2.gz QUQAUFMCRHCVMT-UXHICEINSA-N 2 1 344.503 1.343 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](n4ccnn4)C3)cc2)CC1 ZINC000822503363 594058914 /nfs/dbraw/zinc/05/89/14/594058914.db2.gz GXKIPGYDSYACQI-LJQANCHMSA-N 2 1 340.475 1.867 20 10 EDCDMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000853625647 595838146 /nfs/dbraw/zinc/83/81/46/595838146.db2.gz UTBPGSZBPOKYGV-PBHICJAKSA-N 2 1 336.432 1.361 20 10 EDCDMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 ZINC000853625647 595838147 /nfs/dbraw/zinc/83/81/47/595838147.db2.gz UTBPGSZBPOKYGV-PBHICJAKSA-N 2 1 336.432 1.361 20 10 EDCDMP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC[NH2+]Cc4ccccc43)c21 ZINC000592468034 448850462 /nfs/dbraw/zinc/85/04/62/448850462.db2.gz PLCFHFHQHIKZKS-CYBMUJFWSA-N 2 1 325.416 1.469 20 10 EDCDMP CCOC(=O)[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000775713999 580398184 /nfs/dbraw/zinc/39/81/84/580398184.db2.gz YNGGCWHUHMIVDR-GOSISDBHSA-N 2 1 347.459 1.202 20 10 EDCDMP COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(O)c1OC ZINC000892950287 591236811 /nfs/dbraw/zinc/23/68/11/591236811.db2.gz CFLYXUWDACOLNW-OAHLLOKOSA-N 2 1 338.448 1.736 20 10 EDCDMP COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CC[C@@H]3C3CC3)CC2)cc1 ZINC000834383516 595107215 /nfs/dbraw/zinc/10/72/15/595107215.db2.gz UJXIZSOZTHGFFL-UYAOXDASSA-N 2 1 345.487 1.662 20 10 EDCDMP C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000846226969 595179648 /nfs/dbraw/zinc/17/96/48/595179648.db2.gz WZAABOQYPIIOKX-CRAIPNDOSA-N 2 1 332.492 1.818 20 10 EDCDMP C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000846226969 595179649 /nfs/dbraw/zinc/17/96/49/595179649.db2.gz WZAABOQYPIIOKX-CRAIPNDOSA-N 2 1 332.492 1.818 20 10 EDCDMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851894915 595966256 /nfs/dbraw/zinc/96/62/56/595966256.db2.gz BGQBLQPYIGHQDN-APWZRJJASA-N 2 1 335.492 1.875 20 10 EDCDMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851894915 595966257 /nfs/dbraw/zinc/96/62/57/595966257.db2.gz BGQBLQPYIGHQDN-APWZRJJASA-N 2 1 335.492 1.875 20 10 EDCDMP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000272423554 443620846 /nfs/dbraw/zinc/62/08/46/443620846.db2.gz HZQVSSNETCITMO-YJBOKZPZSA-N 2 1 348.491 1.307 20 10 EDCDMP Cc1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1O ZINC000289956067 444224301 /nfs/dbraw/zinc/22/43/01/444224301.db2.gz YCXPQPWZKRGUIZ-UHFFFAOYSA-N 2 1 331.460 1.687 20 10 EDCDMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2F)CC1 ZINC000106922401 529153176 /nfs/dbraw/zinc/15/31/76/529153176.db2.gz RIRHPDQEMHIEEI-GOSISDBHSA-N 2 1 348.466 1.678 20 10 EDCDMP COc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000756550383 579952291 /nfs/dbraw/zinc/95/22/91/579952291.db2.gz REBVFFMTXPYFCO-KBPBESRZSA-N 2 1 335.448 1.639 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC(C)(C)O[C@@H]4COC[C@H]43)cc2)CC1 ZINC000846119151 595147702 /nfs/dbraw/zinc/14/77/02/595147702.db2.gz XXPRLCKIPXVYNE-RTBURBONSA-N 2 1 345.487 1.817 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)O[C@@H]4COC[C@H]43)cc2)CC1 ZINC000846119151 595147705 /nfs/dbraw/zinc/14/77/05/595147705.db2.gz XXPRLCKIPXVYNE-RTBURBONSA-N 2 1 345.487 1.817 20 10 EDCDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1C ZINC000872254741 596855662 /nfs/dbraw/zinc/85/56/62/596855662.db2.gz COYSQFCJWUFRHD-INMHGKMJSA-N 2 1 331.416 1.376 20 10 EDCDMP Cc1cc(O)c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1C ZINC000872254742 596855743 /nfs/dbraw/zinc/85/57/43/596855743.db2.gz COYSQFCJWUFRHD-UXLLHSPISA-N 2 1 331.416 1.376 20 10 EDCDMP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)CC1 ZINC000881854184 597756699 /nfs/dbraw/zinc/75/66/99/597756699.db2.gz WHXFXNIOSGHOJQ-IBGZPJMESA-N 2 1 342.487 1.681 20 10 EDCDMP CCC[N@@H+](C)CC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000732924575 578735667 /nfs/dbraw/zinc/73/56/67/578735667.db2.gz YUMTUQGFRALSNX-UHFFFAOYSA-N 2 1 348.491 1.275 20 10 EDCDMP COc1cc(C)cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000754732934 579910343 /nfs/dbraw/zinc/91/03/43/579910343.db2.gz XIBVCAXDEXMUKK-QGZVFWFLSA-N 2 1 333.476 1.921 20 10 EDCDMP COc1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(O)cc1C ZINC000768445288 580213051 /nfs/dbraw/zinc/21/30/51/580213051.db2.gz HEFRYQWNQPKGOT-KRWDZBQOSA-N 2 1 333.476 1.921 20 10 EDCDMP COc1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(O)cc1C ZINC000768445288 580213052 /nfs/dbraw/zinc/21/30/52/580213052.db2.gz HEFRYQWNQPKGOT-KRWDZBQOSA-N 2 1 333.476 1.921 20 10 EDCDMP CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775742965 580399327 /nfs/dbraw/zinc/39/93/27/580399327.db2.gz DNXRUPMKUBRZKJ-IBGZPJMESA-N 2 1 344.503 1.739 20 10 EDCDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891250556 591018630 /nfs/dbraw/zinc/01/86/30/591018630.db2.gz AUAIHWPGWUBJHS-ROUUACIJSA-N 2 1 348.491 1.192 20 10 EDCDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1 ZINC000891250556 591018631 /nfs/dbraw/zinc/01/86/31/591018631.db2.gz AUAIHWPGWUBJHS-ROUUACIJSA-N 2 1 348.491 1.192 20 10 EDCDMP CN1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+](C)CC1 ZINC000897856459 591679925 /nfs/dbraw/zinc/67/99/25/591679925.db2.gz OCFBNKDGVRUJJF-UHFFFAOYSA-N 2 1 345.535 1.118 20 10 EDCDMP CN1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+](C)CC1 ZINC000897856459 591679929 /nfs/dbraw/zinc/67/99/29/591679929.db2.gz OCFBNKDGVRUJJF-UHFFFAOYSA-N 2 1 345.535 1.118 20 10 EDCDMP COc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(O)c1OC ZINC000895473930 591770810 /nfs/dbraw/zinc/77/08/10/591770810.db2.gz RBLDZRGMYZNMPS-OAHLLOKOSA-N 2 1 338.448 1.952 20 10 EDCDMP COc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(O)c1OC ZINC000895473930 591770813 /nfs/dbraw/zinc/77/08/13/591770813.db2.gz RBLDZRGMYZNMPS-OAHLLOKOSA-N 2 1 338.448 1.952 20 10 EDCDMP COc1ccc(N2CCC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903736027 592299161 /nfs/dbraw/zinc/29/91/61/592299161.db2.gz FZKLYWWKLFKFTP-VQTJNVASSA-N 2 1 345.487 1.976 20 10 EDCDMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278223 594739804 /nfs/dbraw/zinc/73/98/04/594739804.db2.gz BUUFEJALOCBLRU-KRWDZBQOSA-N 2 1 329.448 1.854 20 10 EDCDMP CN(C)c1ccc(CNC(=O)CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000852108786 596046550 /nfs/dbraw/zinc/04/65/50/596046550.db2.gz MRVHIWWSWOXSCW-FQEVSTJZSA-N 2 1 344.503 1.787 20 10 EDCDMP COc1cc(O)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000277654606 444018517 /nfs/dbraw/zinc/01/85/17/444018517.db2.gz ZIVLKTJENNSKAG-CQSZACIVSA-N 2 1 338.448 2.000 20 10 EDCDMP COc1cc(O)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000277654606 444018519 /nfs/dbraw/zinc/01/85/19/444018519.db2.gz ZIVLKTJENNSKAG-CQSZACIVSA-N 2 1 338.448 2.000 20 10 EDCDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000765797409 580151624 /nfs/dbraw/zinc/15/16/24/580151624.db2.gz PETSUQBCNLSHGT-DOTOQJQBSA-N 2 1 332.492 1.991 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCSC[C@@H]3CCO)cc2)CC1 ZINC000775737237 580399036 /nfs/dbraw/zinc/39/90/36/580399036.db2.gz LHIKLICQYAWIIG-SFHVURJKSA-N 2 1 335.517 1.738 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](CO)OC(C)(C)C3)cc2)CC1 ZINC000817412492 593603211 /nfs/dbraw/zinc/60/32/11/593603211.db2.gz LTQZYWWODUBKJS-SFHVURJKSA-N 2 1 333.476 1.410 20 10 EDCDMP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843047414 595272924 /nfs/dbraw/zinc/27/29/24/595272924.db2.gz ULZSGJOCPYTHTH-SFHVURJKSA-N 2 1 344.503 1.705 20 10 EDCDMP CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(O)c1 ZINC000843047023 595273082 /nfs/dbraw/zinc/27/30/82/595273082.db2.gz LDEJCCNBCXZTKN-MRXNPFEDSA-N 2 1 347.459 1.435 20 10 EDCDMP Oc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852742533 596237153 /nfs/dbraw/zinc/23/71/53/596237153.db2.gz JPSLKCRYZWWRJZ-IAGOWNOFSA-N 2 1 332.444 1.894 20 10 EDCDMP COc1cccc(O)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000769528311 580239110 /nfs/dbraw/zinc/23/91/10/580239110.db2.gz UZHIXNDBKCRADQ-DOTOQJQBSA-N 2 1 333.476 1.859 20 10 EDCDMP CCn1cc(CNCc2ccc(N3CCN(CC)CC3)c(F)c2)nn1 ZINC000892904853 591222499 /nfs/dbraw/zinc/22/24/99/591222499.db2.gz FFYRFMXJBQLFPU-UHFFFAOYSA-N 2 1 346.454 1.869 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C(N)=O)c3ccccc3)cc2)CC1 ZINC000905790490 592641746 /nfs/dbraw/zinc/64/17/46/592641746.db2.gz XEHGHPFLMJYJTA-IBGZPJMESA-N 2 1 338.455 1.755 20 10 EDCDMP COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC[NH2+]CC1 ZINC000841068976 594846956 /nfs/dbraw/zinc/84/69/56/594846956.db2.gz YRFQJDAVKNWYGZ-UHFFFAOYSA-N 2 1 339.392 1.415 20 10 EDCDMP CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000844222330 595306507 /nfs/dbraw/zinc/30/65/07/595306507.db2.gz BGGBBYAWINFBEZ-CGTJXYLNSA-N 2 1 330.476 1.428 20 10 EDCDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000844222920 595307293 /nfs/dbraw/zinc/30/72/93/595307293.db2.gz OICRBWYOLHTBQO-INIZCTEOSA-N 2 1 332.492 1.772 20 10 EDCDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)C1 ZINC000844903170 595411024 /nfs/dbraw/zinc/41/10/24/595411024.db2.gz UFSQYCOTTBPNGA-JGGQBBKZSA-N 2 1 334.416 1.839 20 10 EDCDMP Cc1c[nH+]cn1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881855019 597757459 /nfs/dbraw/zinc/75/74/59/597757459.db2.gz OFACRLUJTXSEIJ-UHFFFAOYSA-N 2 1 327.432 1.260 20 10 EDCDMP CCN(C)c1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178668861 442454219 /nfs/dbraw/zinc/45/42/19/442454219.db2.gz PIISNVLSWXDEGV-INIZCTEOSA-N 2 1 332.492 1.957 20 10 EDCDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000269309473 443276494 /nfs/dbraw/zinc/27/64/94/443276494.db2.gz VZGQQFFQYJKHNR-HOTGVXAUSA-N 2 1 346.475 1.061 20 10 EDCDMP COc1cc(O)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000367221045 446525164 /nfs/dbraw/zinc/52/51/64/446525164.db2.gz BVUYTRGAPDKWLR-INIZCTEOSA-N 2 1 349.475 1.621 20 10 EDCDMP COc1cc(O)c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1OC ZINC000367221045 446525167 /nfs/dbraw/zinc/52/51/67/446525167.db2.gz BVUYTRGAPDKWLR-INIZCTEOSA-N 2 1 349.475 1.621 20 10 EDCDMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000902517409 592009218 /nfs/dbraw/zinc/00/92/18/592009218.db2.gz LTSSPCOGLWQQFJ-FZDIXFNVSA-N 2 1 334.508 1.697 20 10 EDCDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903731881 592288349 /nfs/dbraw/zinc/28/83/49/592288349.db2.gz ARPWBCTYQFHKDE-UXHICEINSA-N 2 1 345.487 1.724 20 10 EDCDMP COCC[C@H]1COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000812787028 593509293 /nfs/dbraw/zinc/50/92/93/593509293.db2.gz ZLSPPCSIRQFXBT-IBGZPJMESA-N 2 1 333.476 1.676 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](n4ccnn4)C3)cc2)CC1 ZINC000822503362 594058971 /nfs/dbraw/zinc/05/89/71/594058971.db2.gz GXKIPGYDSYACQI-IBGZPJMESA-N 2 1 340.475 1.867 20 10 EDCDMP CCOC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000862502421 596338830 /nfs/dbraw/zinc/33/88/30/596338830.db2.gz MDMKVBBJRBTJBK-IBGZPJMESA-N 2 1 333.476 1.676 20 10 EDCDMP CCOC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000862502421 596338837 /nfs/dbraw/zinc/33/88/37/596338837.db2.gz MDMKVBBJRBTJBK-IBGZPJMESA-N 2 1 333.476 1.676 20 10 EDCDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000872254420 596855358 /nfs/dbraw/zinc/85/53/58/596855358.db2.gz COPOGBCUAHNQJK-ZACQAIPSSA-N 2 1 330.432 1.120 20 10 EDCDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCCCNC1=O ZINC000775667317 580396737 /nfs/dbraw/zinc/39/67/37/580396737.db2.gz IPOQDDVVYKPBHK-SFHVURJKSA-N 2 1 330.476 1.539 20 10 EDCDMP Cc1nnc([C@H]2CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)[nH]1 ZINC000895008532 591526304 /nfs/dbraw/zinc/52/63/04/591526304.db2.gz ZHBGTVLMQKUWOV-KRWDZBQOSA-N 2 1 340.475 1.854 20 10 EDCDMP Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)n1 ZINC000895008532 591526305 /nfs/dbraw/zinc/52/63/05/591526305.db2.gz ZHBGTVLMQKUWOV-KRWDZBQOSA-N 2 1 340.475 1.854 20 10 EDCDMP Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)n1 ZINC000895008532 591526306 /nfs/dbraw/zinc/52/63/06/591526306.db2.gz ZHBGTVLMQKUWOV-KRWDZBQOSA-N 2 1 340.475 1.854 20 10 EDCDMP CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000896961029 591698424 /nfs/dbraw/zinc/69/84/24/591698424.db2.gz RAVPTCLOEHDIOV-KRWDZBQOSA-N 2 1 331.460 1.823 20 10 EDCDMP COc1ccc(N2CCC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903736026 592298737 /nfs/dbraw/zinc/29/87/37/592298737.db2.gz FZKLYWWKLFKFTP-UXHICEINSA-N 2 1 345.487 1.976 20 10 EDCDMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000911666086 592973560 /nfs/dbraw/zinc/97/35/60/592973560.db2.gz HBOJMCCOBVDHQW-QAPCUYQASA-N 2 1 341.459 1.636 20 10 EDCDMP CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000824576389 594041441 /nfs/dbraw/zinc/04/14/41/594041441.db2.gz LOGXUEDFHJMSGU-SFHVURJKSA-N 2 1 346.475 1.711 20 10 EDCDMP O=C(CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC000843356257 595086482 /nfs/dbraw/zinc/08/64/82/595086482.db2.gz KGMUBIUSVAUBNQ-KRWDZBQOSA-N 2 1 347.459 1.195 20 10 EDCDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000852792666 595544690 /nfs/dbraw/zinc/54/46/90/595544690.db2.gz ZFIKPEZXPGESOJ-SJORKVTESA-N 2 1 348.397 1.847 20 10 EDCDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000852792661 595544850 /nfs/dbraw/zinc/54/48/50/595544850.db2.gz ZFIKPEZXPGESOJ-DLBZAZTESA-N 2 1 348.397 1.847 20 10 EDCDMP Oc1ccccc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000853248532 595719356 /nfs/dbraw/zinc/71/93/56/595719356.db2.gz HGVCUXFEJQUJFQ-HNNXBMFYSA-N 2 1 341.459 1.905 20 10 EDCDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000918860894 697217808 /nfs/dbraw/zinc/21/78/08/697217808.db2.gz GGQTVDYAUBKKCN-CALCHBBNSA-N 2 1 344.503 1.927 20 10 EDCDMP COc1cccc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1O ZINC000922389204 711436100 /nfs/dbraw/zinc/43/61/00/711436100.db2.gz SGRKMSKCKCACLR-OHDICMOHSA-N 2 1 334.460 1.970 20 10 EDCDMP COc1cccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1O ZINC000377624643 447252944 /nfs/dbraw/zinc/25/29/44/447252944.db2.gz LIJHUPIILGGQIR-MRXNPFEDSA-N 2 1 333.476 1.860 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000775736613 580399054 /nfs/dbraw/zinc/39/90/54/580399054.db2.gz CBPHXWPWRZGGAT-UXHICEINSA-N 2 1 345.487 1.818 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000775736613 580399055 /nfs/dbraw/zinc/39/90/55/580399055.db2.gz CBPHXWPWRZGGAT-UXHICEINSA-N 2 1 345.487 1.818 20 10 EDCDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C2 ZINC000903978839 592400734 /nfs/dbraw/zinc/40/07/34/592400734.db2.gz NCYVGXYEOBMPNE-IYOUNJFTSA-N 2 1 335.423 1.604 20 10 EDCDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@]4(CCCOC4)C3)cc2)CC1 ZINC000809687441 593354888 /nfs/dbraw/zinc/35/48/88/593354888.db2.gz ZIQPOSTZYNEPRP-FQEVSTJZSA-N 2 1 345.487 1.820 20 10 EDCDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816547919 593531123 /nfs/dbraw/zinc/53/11/23/593531123.db2.gz OALJSHWSWBKMAA-UHFFFAOYSA-N 2 1 327.428 1.799 20 10 EDCDMP