smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000160661866 425990527 /nfs/dbraw/zinc/99/05/27/425990527.db2.gz JCTHOZMSZAPWGL-YXOSVLIBSA-N 2 1 306.494 2.638 20 70 DFIDMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000160732408 425994694 /nfs/dbraw/zinc/99/46/94/425994694.db2.gz UPHMDEXOSSRUPH-MJGOQNOKSA-N 2 1 302.462 2.809 20 70 DFIDMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCc3sccc3C2)[C@H](C)C1 ZINC000159854416 425968611 /nfs/dbraw/zinc/96/86/11/425968611.db2.gz ZLDXVJFBGIPANL-INMHGKMJSA-N 2 1 321.534 2.815 20 70 DFIDMP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919275 425970549 /nfs/dbraw/zinc/97/05/49/425970549.db2.gz YKXCVOJUKJMIDS-KONPQCLYSA-N 2 1 301.478 2.756 20 70 DFIDMP CC(=O)NC1CCC([NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000161293492 277024397 /nfs/dbraw/zinc/02/43/97/277024397.db2.gz WQVUEPBNPJQGCL-FAEJEUNOSA-N 2 1 309.498 2.678 20 70 DFIDMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000160416049 295390571 /nfs/dbraw/zinc/39/05/71/295390571.db2.gz VQCIDCFLAMKIPS-WBVHZDCISA-N 2 1 311.514 2.734 20 70 DFIDMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000160592551 425988998 /nfs/dbraw/zinc/98/89/98/425988998.db2.gz FUWMLXKNFUNXAN-ZBFHGGJFSA-N 2 1 300.450 2.805 20 70 DFIDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000160592551 425988999 /nfs/dbraw/zinc/98/89/99/425988999.db2.gz FUWMLXKNFUNXAN-ZBFHGGJFSA-N 2 1 300.450 2.805 20 70 DFIDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000160592551 425989003 /nfs/dbraw/zinc/98/90/03/425989003.db2.gz FUWMLXKNFUNXAN-ZBFHGGJFSA-N 2 1 300.450 2.805 20 70 DFIDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000160592551 425989006 /nfs/dbraw/zinc/98/90/06/425989006.db2.gz FUWMLXKNFUNXAN-ZBFHGGJFSA-N 2 1 300.450 2.805 20 70 DFIDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000160592551 425989008 /nfs/dbraw/zinc/98/90/08/425989008.db2.gz FUWMLXKNFUNXAN-ZBFHGGJFSA-N 2 1 300.450 2.805 20 70 DFIDMP CCCNC(=O)c1cccc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000160594485 425989133 /nfs/dbraw/zinc/98/91/33/425989133.db2.gz NGTCSEYBRAJSQS-MPGHIAIKSA-N 2 1 317.477 2.645 20 70 DFIDMP CCCNC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000160594485 425989140 /nfs/dbraw/zinc/98/91/40/425989140.db2.gz NGTCSEYBRAJSQS-MPGHIAIKSA-N 2 1 317.477 2.645 20 70 DFIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1OC ZINC000160745556 425993986 /nfs/dbraw/zinc/99/39/86/425993986.db2.gz UTEPIKAEUXUOKU-SJLPKXTDSA-N 2 1 320.477 2.973 20 70 DFIDMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160772082 425995234 /nfs/dbraw/zinc/99/52/34/425995234.db2.gz VDRPDAHJOFEBCZ-BJZITVGISA-N 2 1 320.452 2.886 20 70 DFIDMP Cn1cc[nH+]c1CC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000159966942 425971550 /nfs/dbraw/zinc/97/15/50/425971550.db2.gz NOLGSJCNTMXAHJ-UHFFFAOYSA-N 2 1 311.404 2.865 20 70 DFIDMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC[NH+](C)Cc1ccc(F)cc1 ZINC000160084765 425973957 /nfs/dbraw/zinc/97/39/57/425973957.db2.gz OUXPIGNRKQBYNU-MOPGFXCFSA-N 2 1 319.468 2.816 20 70 DFIDMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2CC[N@H+](C)Cc1ccc(F)cc1 ZINC000160084765 425973960 /nfs/dbraw/zinc/97/39/60/425973960.db2.gz OUXPIGNRKQBYNU-MOPGFXCFSA-N 2 1 319.468 2.816 20 70 DFIDMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000160084765 425973961 /nfs/dbraw/zinc/97/39/61/425973961.db2.gz OUXPIGNRKQBYNU-MOPGFXCFSA-N 2 1 319.468 2.816 20 70 DFIDMP COc1ccc(COCCC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000161076360 426007792 /nfs/dbraw/zinc/00/77/92/426007792.db2.gz SYGZPRDRFDGDKC-GJYPPUQNSA-N 2 1 320.477 2.920 20 70 DFIDMP CC(=O)NC1CCC([NH2+]C[C@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000161280258 426016814 /nfs/dbraw/zinc/01/68/14/426016814.db2.gz IXYCAIPGTFUAAP-CTWPCTMYSA-N 2 1 323.525 2.780 20 70 DFIDMP COc1cc(C)c(CN(C)CC[C@H]2CCC[N@H+]2C)cc1OC ZINC000161307024 426018203 /nfs/dbraw/zinc/01/82/03/426018203.db2.gz VUUKZNRKSYKROT-MRXNPFEDSA-N 2 1 306.450 2.928 20 70 DFIDMP COc1cc(C)c(C[N@H+](C)CC[C@H]2CCC[NH+]2C)cc1OC ZINC000161307024 426018205 /nfs/dbraw/zinc/01/82/05/426018205.db2.gz VUUKZNRKSYKROT-MRXNPFEDSA-N 2 1 306.450 2.928 20 70 DFIDMP COc1cc(C)c(C[N@@H+](C)CC[C@H]2CCC[NH+]2C)cc1OC ZINC000161307024 426018208 /nfs/dbraw/zinc/01/82/08/426018208.db2.gz VUUKZNRKSYKROT-MRXNPFEDSA-N 2 1 306.450 2.928 20 70 DFIDMP COc1cc(C)c(C[NH+](C)CC[C@H]2CCC[N@@H+]2C)cc1OC ZINC000161307024 426018211 /nfs/dbraw/zinc/01/82/11/426018211.db2.gz VUUKZNRKSYKROT-MRXNPFEDSA-N 2 1 306.450 2.928 20 70 DFIDMP COc1cc(C)c(C[NH+](C)CC[C@H]2CCC[N@H+]2C)cc1OC ZINC000161307024 426018214 /nfs/dbraw/zinc/01/82/14/426018214.db2.gz VUUKZNRKSYKROT-MRXNPFEDSA-N 2 1 306.450 2.928 20 70 DFIDMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000159803088 197365605 /nfs/dbraw/zinc/36/56/05/197365605.db2.gz XZNSYDBVDMKYOI-MBOZVWFJSA-N 2 1 315.505 2.753 20 70 DFIDMP CCN1CC[C@@H]([NH2+]C[C@@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000159803088 197365607 /nfs/dbraw/zinc/36/56/07/197365607.db2.gz XZNSYDBVDMKYOI-MBOZVWFJSA-N 2 1 315.505 2.753 20 70 DFIDMP CC[NH+](CC)[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)CC(C)C ZINC000161268085 284823464 /nfs/dbraw/zinc/82/34/64/284823464.db2.gz IGHLYUNPYAROQX-ABHNRTSZSA-N 2 1 311.514 2.780 20 70 DFIDMP Cc1ccc(C(=O)CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000160180092 542722173 /nfs/dbraw/zinc/72/21/73/542722173.db2.gz UVAYSZCJYQLVIF-UHFFFAOYSA-N 2 1 309.413 2.785 20 70 DFIDMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000160592674 425988766 /nfs/dbraw/zinc/98/87/66/425988766.db2.gz FUWMLXKNFUNXAN-GDBMZVCRSA-N 2 1 300.450 2.805 20 70 DFIDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000160592674 425988768 /nfs/dbraw/zinc/98/87/68/425988768.db2.gz FUWMLXKNFUNXAN-GDBMZVCRSA-N 2 1 300.450 2.805 20 70 DFIDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000160592674 425988770 /nfs/dbraw/zinc/98/87/70/425988770.db2.gz FUWMLXKNFUNXAN-GDBMZVCRSA-N 2 1 300.450 2.805 20 70 DFIDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000160592674 425988773 /nfs/dbraw/zinc/98/87/73/425988773.db2.gz FUWMLXKNFUNXAN-GDBMZVCRSA-N 2 1 300.450 2.805 20 70 DFIDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nc3ccccn32)[C@H](C)C1 ZINC000160592674 425988777 /nfs/dbraw/zinc/98/87/77/425988777.db2.gz FUWMLXKNFUNXAN-GDBMZVCRSA-N 2 1 300.450 2.805 20 70 DFIDMP CCCCN(C)C(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160628751 425990245 /nfs/dbraw/zinc/99/02/45/425990245.db2.gz OTYLIYMXAYWPNH-UHFFFAOYSA-N 2 1 323.525 2.833 20 70 DFIDMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161462980 426025368 /nfs/dbraw/zinc/02/53/68/426025368.db2.gz XQWCUNFMRSJVBS-DAWZGUTISA-N 2 1 309.498 2.678 20 70 DFIDMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161462980 426025370 /nfs/dbraw/zinc/02/53/70/426025370.db2.gz XQWCUNFMRSJVBS-DAWZGUTISA-N 2 1 309.498 2.678 20 70 DFIDMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161185829 426012400 /nfs/dbraw/zinc/01/24/00/426012400.db2.gz VWAGOWFZNRDOIT-IRXDYDNUSA-N 2 1 311.514 2.734 20 70 DFIDMP O=C(C1CC[NH+](CCC[NH+]2CCCCC2)CC1)N1CCCCC1 ZINC000161255348 426015472 /nfs/dbraw/zinc/01/54/72/426015472.db2.gz UZDMSHGFDANRBC-UHFFFAOYSA-N 2 1 321.509 2.587 20 70 DFIDMP COc1cc(C)c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000161307945 426019031 /nfs/dbraw/zinc/01/90/31/426019031.db2.gz KVFCAFVCFGGBRQ-OAHLLOKOSA-N 2 1 306.450 2.786 20 70 DFIDMP COc1cc(C)c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000161307945 426019034 /nfs/dbraw/zinc/01/90/34/426019034.db2.gz KVFCAFVCFGGBRQ-OAHLLOKOSA-N 2 1 306.450 2.786 20 70 DFIDMP COc1cc(C)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000161307945 426019035 /nfs/dbraw/zinc/01/90/35/426019035.db2.gz KVFCAFVCFGGBRQ-OAHLLOKOSA-N 2 1 306.450 2.786 20 70 DFIDMP c1ccc(NC[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000161368631 426021518 /nfs/dbraw/zinc/02/15/18/426021518.db2.gz HGBMLAUFIIFLLM-QGZVFWFLSA-N 2 1 302.466 2.691 20 70 DFIDMP CC(=O)NC1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000161341260 277024473 /nfs/dbraw/zinc/02/44/73/277024473.db2.gz NWGCNIZGKCLFBJ-IWCVFHTOSA-N 2 1 309.498 2.534 20 70 DFIDMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1F ZINC000160688587 295236687 /nfs/dbraw/zinc/23/66/87/295236687.db2.gz WFFJSULRNCERRF-GOEBONIOSA-N 2 1 324.440 2.722 20 70 DFIDMP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806258 197365400 /nfs/dbraw/zinc/36/54/00/197365400.db2.gz QLWADWUUINJXJH-VIPLHTEESA-N 2 1 315.505 2.752 20 70 DFIDMP C[C@H](C[NH2+][C@H]1C[C@@H](C)N(C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806258 197365401 /nfs/dbraw/zinc/36/54/01/197365401.db2.gz QLWADWUUINJXJH-VIPLHTEESA-N 2 1 315.505 2.752 20 70 DFIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000160664454 285290409 /nfs/dbraw/zinc/29/04/09/285290409.db2.gz ONYOSNGXVWHGEF-SJLPKXTDSA-N 2 1 306.425 2.640 20 70 DFIDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161460591 426025172 /nfs/dbraw/zinc/02/51/72/426025172.db2.gz PJXQAURRGHIIAD-UHFFFAOYSA-N 2 1 317.477 2.675 20 70 DFIDMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161483987 426026789 /nfs/dbraw/zinc/02/67/89/426026789.db2.gz PXQDDNSAFQSMCD-AOCRQIFASA-N 2 1 323.525 2.924 20 70 DFIDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161483987 426026790 /nfs/dbraw/zinc/02/67/90/426026790.db2.gz PXQDDNSAFQSMCD-AOCRQIFASA-N 2 1 323.525 2.924 20 70 DFIDMP COc1ccc(COCCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000161076603 426008105 /nfs/dbraw/zinc/00/81/05/426008105.db2.gz SYGZPRDRFDGDKC-JTDSTZFVSA-N 2 1 320.477 2.920 20 70 DFIDMP C[NH+](C)Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000161294677 426017575 /nfs/dbraw/zinc/01/75/75/426017575.db2.gz JYUIMDDXUGBXNY-UHFFFAOYSA-N 2 1 317.477 2.743 20 70 DFIDMP CCCC(=O)Nc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000159899070 295383642 /nfs/dbraw/zinc/38/36/42/295383642.db2.gz ZNWRSYHMFOPNAE-WMLDXEAASA-N 2 1 303.450 2.855 20 70 DFIDMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000159899070 295383646 /nfs/dbraw/zinc/38/36/46/295383646.db2.gz ZNWRSYHMFOPNAE-WMLDXEAASA-N 2 1 303.450 2.855 20 70 DFIDMP CCCC[C@H](COC)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160475087 425983779 /nfs/dbraw/zinc/98/37/79/425983779.db2.gz GTBBZGBLOMUFTJ-LJQANCHMSA-N 2 1 320.477 2.814 20 70 DFIDMP COc1ccc(C)cc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160702151 425993797 /nfs/dbraw/zinc/99/37/97/425993797.db2.gz CBWAOHHNBRUWBZ-DLBZAZTESA-N 2 1 320.477 2.891 20 70 DFIDMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160771862 425995505 /nfs/dbraw/zinc/99/55/05/425995505.db2.gz VDRPDAHJOFEBCZ-LSBZLQRGSA-N 2 1 320.452 2.886 20 70 DFIDMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160771965 425995511 /nfs/dbraw/zinc/99/55/11/425995511.db2.gz VDRPDAHJOFEBCZ-POZUXBRTSA-N 2 1 320.452 2.886 20 70 DFIDMP C[C@H]1C[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)CC[N@H+]1C ZINC000159960571 425971806 /nfs/dbraw/zinc/97/18/06/425971806.db2.gz CFMACYLPVFCWKT-DZGCQCFKSA-N 2 1 321.431 2.723 20 70 DFIDMP C[C@H]1C[C@@H](N(C)CC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000160000037 425972634 /nfs/dbraw/zinc/97/26/34/425972634.db2.gz XEPHGOFCBFCHEH-YJBOKZPZSA-N 2 1 307.457 2.672 20 70 DFIDMP C[C@H]1C[C@@H](N(C)CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000160000037 425972636 /nfs/dbraw/zinc/97/26/36/425972636.db2.gz XEPHGOFCBFCHEH-YJBOKZPZSA-N 2 1 307.457 2.672 20 70 DFIDMP C[C@H]1C[C@@H](N(C)CC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000160000037 425972639 /nfs/dbraw/zinc/97/26/39/425972639.db2.gz XEPHGOFCBFCHEH-YJBOKZPZSA-N 2 1 307.457 2.672 20 70 DFIDMP COc1ccc(COCCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000161076244 426007751 /nfs/dbraw/zinc/00/77/51/426007751.db2.gz SYGZPRDRFDGDKC-MDZRGWNJSA-N 2 1 320.477 2.920 20 70 DFIDMP COc1ccc(COCCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000161076478 426007901 /nfs/dbraw/zinc/00/79/01/426007901.db2.gz SYGZPRDRFDGDKC-GPMSIDNRSA-N 2 1 320.477 2.920 20 70 DFIDMP CC(=O)NC1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000161348154 426021292 /nfs/dbraw/zinc/02/12/92/426021292.db2.gz YBRIZOUBFFZPRF-OOHWJJMZSA-N 2 1 309.498 2.534 20 70 DFIDMP CC(=O)NC1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000161348154 426021294 /nfs/dbraw/zinc/02/12/94/426021294.db2.gz YBRIZOUBFFZPRF-OOHWJJMZSA-N 2 1 309.498 2.534 20 70 DFIDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000159790135 278209753 /nfs/dbraw/zinc/20/97/53/278209753.db2.gz YSFBCRQXCGFIOV-FRQCXROJSA-N 2 1 301.478 2.506 20 70 DFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160121334 197387545 /nfs/dbraw/zinc/38/75/45/197387545.db2.gz FWSVAERJFUFAIT-VKJFTORMSA-N 2 1 307.457 2.576 20 70 DFIDMP CCCNC(=O)c1cccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000160594591 425989230 /nfs/dbraw/zinc/98/92/30/425989230.db2.gz NGTCSEYBRAJSQS-HDMKZQKVSA-N 2 1 317.477 2.645 20 70 DFIDMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000160594591 425989233 /nfs/dbraw/zinc/98/92/33/425989233.db2.gz NGTCSEYBRAJSQS-HDMKZQKVSA-N 2 1 317.477 2.645 20 70 DFIDMP CCCC[C@@H](COC)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160609265 425990216 /nfs/dbraw/zinc/99/02/16/425990216.db2.gz BFYYMYIVXGDABM-IBGZPJMESA-N 2 1 320.477 2.814 20 70 DFIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000160661731 425990534 /nfs/dbraw/zinc/99/05/34/425990534.db2.gz JCTHOZMSZAPWGL-OIAUPDTQSA-N 2 1 306.494 2.638 20 70 DFIDMP CCOc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160757098 425995158 /nfs/dbraw/zinc/99/51/58/425995158.db2.gz PHWCMJPQBNJVOD-FUHWJXTLSA-N 2 1 320.477 2.973 20 70 DFIDMP Cc1nccn1CCC[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000160931611 426001397 /nfs/dbraw/zinc/00/13/97/426001397.db2.gz YEUVAOOVOHAXNC-UHFFFAOYSA-N 2 1 318.440 2.785 20 70 DFIDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000160931611 426001400 /nfs/dbraw/zinc/00/14/00/426001400.db2.gz YEUVAOOVOHAXNC-UHFFFAOYSA-N 2 1 318.440 2.785 20 70 DFIDMP Cc1[nH+]ccn1CCC[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000160931611 426001402 /nfs/dbraw/zinc/00/14/02/426001402.db2.gz YEUVAOOVOHAXNC-UHFFFAOYSA-N 2 1 318.440 2.785 20 70 DFIDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000160073992 425974085 /nfs/dbraw/zinc/97/40/85/425974085.db2.gz BCDYYVVGCWJOCV-CQSZACIVSA-N 2 1 310.511 2.740 20 70 DFIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000160073992 425974086 /nfs/dbraw/zinc/97/40/86/425974086.db2.gz BCDYYVVGCWJOCV-CQSZACIVSA-N 2 1 310.511 2.740 20 70 DFIDMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000160673101 295236492 /nfs/dbraw/zinc/23/64/92/295236492.db2.gz JLNRNVBVMQOZHZ-LSDHHAIUSA-N 2 1 324.440 2.722 20 70 DFIDMP CCC([NH3+])(CC)CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000160520913 425985090 /nfs/dbraw/zinc/98/50/90/425985090.db2.gz JYJMFIUPBMDTMA-QGZVFWFLSA-N 2 1 317.477 2.675 20 70 DFIDMP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000160689450 425992685 /nfs/dbraw/zinc/99/26/85/425992685.db2.gz KVHWBBYWNGAGAV-VQIMIIECSA-N 2 1 318.461 2.509 20 70 DFIDMP CC(C)[C@H](C)NC(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160761235 425995591 /nfs/dbraw/zinc/99/55/91/425995591.db2.gz NXHBHGCKKWCBNU-KRWDZBQOSA-N 2 1 323.525 2.735 20 70 DFIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000159790401 425967772 /nfs/dbraw/zinc/96/77/72/425967772.db2.gz YSFBCRQXCGFIOV-FCEWJHQRSA-N 2 1 301.478 2.506 20 70 DFIDMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000160074088 425973801 /nfs/dbraw/zinc/97/38/01/425973801.db2.gz BCDYYVVGCWJOCV-AWEZNQCLSA-N 2 1 310.511 2.740 20 70 DFIDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000160074088 425973804 /nfs/dbraw/zinc/97/38/04/425973804.db2.gz BCDYYVVGCWJOCV-AWEZNQCLSA-N 2 1 310.511 2.740 20 70 DFIDMP CC(=O)NC1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000161294032 426017436 /nfs/dbraw/zinc/01/74/36/426017436.db2.gz GIYIVTADECBQRN-FAEJEUNOSA-N 2 1 309.498 2.535 20 70 DFIDMP COc1cc(C)c(CN(C)CC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000161306931 426018761 /nfs/dbraw/zinc/01/87/61/426018761.db2.gz VUUKZNRKSYKROT-INIZCTEOSA-N 2 1 306.450 2.928 20 70 DFIDMP COc1cc(C)c(C[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1OC ZINC000161306931 426018764 /nfs/dbraw/zinc/01/87/64/426018764.db2.gz VUUKZNRKSYKROT-INIZCTEOSA-N 2 1 306.450 2.928 20 70 DFIDMP COc1cc(C)c(C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)cc1OC ZINC000161306931 426018765 /nfs/dbraw/zinc/01/87/65/426018765.db2.gz VUUKZNRKSYKROT-INIZCTEOSA-N 2 1 306.450 2.928 20 70 DFIDMP COc1cc(C)c(C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000161306931 426018768 /nfs/dbraw/zinc/01/87/68/426018768.db2.gz VUUKZNRKSYKROT-INIZCTEOSA-N 2 1 306.450 2.928 20 70 DFIDMP COc1cc(C)c(C[NH+](C)CC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000161306931 426018770 /nfs/dbraw/zinc/01/87/70/426018770.db2.gz VUUKZNRKSYKROT-INIZCTEOSA-N 2 1 306.450 2.928 20 70 DFIDMP C[N@@H+](CCC[NH3+])Cc1ccc(Br)c2cccnc12 ZINC000160383856 398969842 /nfs/dbraw/zinc/96/98/42/398969842.db2.gz CHJVXCLGPGPBIM-UHFFFAOYSA-N 2 1 308.223 2.778 20 70 DFIDMP Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000159781382 197364688 /nfs/dbraw/zinc/36/46/88/197364688.db2.gz KSBRZJJHBLWZCR-QGZVFWFLSA-N 2 1 300.446 2.986 20 70 DFIDMP Cc1ccc(C(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000159781382 197364691 /nfs/dbraw/zinc/36/46/91/197364691.db2.gz KSBRZJJHBLWZCR-QGZVFWFLSA-N 2 1 300.446 2.986 20 70 DFIDMP CCCCCNC(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160556243 425987383 /nfs/dbraw/zinc/98/73/83/425987383.db2.gz RKIJZUKWYTTXHP-UHFFFAOYSA-N 2 1 323.525 2.881 20 70 DFIDMP CCCNC(=O)c1cccc(CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000160594670 425988941 /nfs/dbraw/zinc/98/89/41/425988941.db2.gz NGTCSEYBRAJSQS-DAYGRLMNSA-N 2 1 317.477 2.645 20 70 DFIDMP CCCNC(=O)c1cccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000160594670 425988948 /nfs/dbraw/zinc/98/89/48/425988948.db2.gz NGTCSEYBRAJSQS-DAYGRLMNSA-N 2 1 317.477 2.645 20 70 DFIDMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160772210 425995518 /nfs/dbraw/zinc/99/55/18/425995518.db2.gz VDRPDAHJOFEBCZ-YJLNNSPDSA-N 2 1 320.452 2.886 20 70 DFIDMP CC[NH+](CC)[C@@H]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000159908276 425970940 /nfs/dbraw/zinc/97/09/40/425970940.db2.gz QYEXDDHOXZGCEN-GOSISDBHSA-N 2 1 307.457 2.674 20 70 DFIDMP C[C@@H]1C[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)CC[N@H+]1C ZINC000159960444 425972043 /nfs/dbraw/zinc/97/20/43/425972043.db2.gz CFMACYLPVFCWKT-UKRRQHHQSA-N 2 1 321.431 2.723 20 70 DFIDMP [NH3+]CC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000161490191 426026651 /nfs/dbraw/zinc/02/66/51/426026651.db2.gz RDVVGYGWCDALNH-UHFFFAOYSA-N 2 1 301.203 2.759 20 70 DFIDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(F)cc(F)c2)C[C@H](C)O1 ZINC000161187570 426013050 /nfs/dbraw/zinc/01/30/50/426013050.db2.gz SGUJVHGTXZREGL-OKILXGFUSA-N 2 1 312.404 2.944 20 70 DFIDMP C(C[NH+]1CCCCC1)C[NH+]1CCC(OC2CCOCC2)CC1 ZINC000161375325 426022201 /nfs/dbraw/zinc/02/22/01/426022201.db2.gz UMNZAJCATMGYEB-UHFFFAOYSA-N 2 1 310.482 2.522 20 70 DFIDMP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000160520790 425985147 /nfs/dbraw/zinc/98/51/47/425985147.db2.gz JYJMFIUPBMDTMA-KRWDZBQOSA-N 2 1 317.477 2.675 20 70 DFIDMP CC[N@H+]1CC[C@H](NC[C@@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000160860761 425999429 /nfs/dbraw/zinc/99/94/29/425999429.db2.gz AZXZTMMQXRTYOE-LMMKCTJWSA-N 2 1 303.494 2.827 20 70 DFIDMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000160860761 425999436 /nfs/dbraw/zinc/99/94/36/425999436.db2.gz AZXZTMMQXRTYOE-LMMKCTJWSA-N 2 1 303.494 2.827 20 70 DFIDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)CC[N@@H+]1C ZINC000159452526 425960991 /nfs/dbraw/zinc/96/09/91/425960991.db2.gz KUKFUTDGTCJSNS-BPQIPLTHSA-N 2 1 312.461 2.599 20 70 DFIDMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)CC[N@H+]1C ZINC000159452526 425960995 /nfs/dbraw/zinc/96/09/95/425960995.db2.gz KUKFUTDGTCJSNS-BPQIPLTHSA-N 2 1 312.461 2.599 20 70 DFIDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCSC2)[C@H](C)C1 ZINC000159560729 425963531 /nfs/dbraw/zinc/96/35/31/425963531.db2.gz OXYWOUFXTWPSHG-BZUAXINKSA-N 2 1 300.512 2.609 20 70 DFIDMP C[C@@H]1C[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1C ZINC000160000406 425972591 /nfs/dbraw/zinc/97/25/91/425972591.db2.gz CYJJNKKOMBVYIG-WBVHZDCISA-N 2 1 323.525 2.686 20 70 DFIDMP C[C@@H]1C[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1C ZINC000160000406 425972593 /nfs/dbraw/zinc/97/25/93/425972593.db2.gz CYJJNKKOMBVYIG-WBVHZDCISA-N 2 1 323.525 2.686 20 70 DFIDMP C[C@@H]1C[C@@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1C ZINC000160000406 425972594 /nfs/dbraw/zinc/97/25/94/425972594.db2.gz CYJJNKKOMBVYIG-WBVHZDCISA-N 2 1 323.525 2.686 20 70 DFIDMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1C ZINC000160000406 425972597 /nfs/dbraw/zinc/97/25/97/425972597.db2.gz CYJJNKKOMBVYIG-WBVHZDCISA-N 2 1 323.525 2.686 20 70 DFIDMP C[C@@H]1C[C@H](N(C)CC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000159999636 425973251 /nfs/dbraw/zinc/97/32/51/425973251.db2.gz XEPHGOFCBFCHEH-CRAIPNDOSA-N 2 1 307.457 2.672 20 70 DFIDMP C[C@@H]1C[C@H](N(C)CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000159999636 425973253 /nfs/dbraw/zinc/97/32/53/425973253.db2.gz XEPHGOFCBFCHEH-CRAIPNDOSA-N 2 1 307.457 2.672 20 70 DFIDMP C[C@@H]1C[C@H](N(C)CC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000159999636 425973258 /nfs/dbraw/zinc/97/32/58/425973258.db2.gz XEPHGOFCBFCHEH-CRAIPNDOSA-N 2 1 307.457 2.672 20 70 DFIDMP COc1ccc(COCCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000161062879 426007450 /nfs/dbraw/zinc/00/74/50/426007450.db2.gz KYMYCLSTCHUOHQ-WBVHZDCISA-N 2 1 306.450 2.674 20 70 DFIDMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]C(C1CC1)C1CC1 ZINC000160582745 295392844 /nfs/dbraw/zinc/39/28/44/295392844.db2.gz JQHRZGIHHWOUOP-UHFFFAOYSA-N 2 1 300.446 2.797 20 70 DFIDMP CCC[NH+]1CCC(NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000160849023 542725520 /nfs/dbraw/zinc/72/55/20/542725520.db2.gz RJQADSHKPGVQKJ-KRWDZBQOSA-N 2 1 303.494 2.971 20 70 DFIDMP CCC[NH+]1CCC([NH2+]C[C@H](C)N(C)Cc2ccccc2)CC1 ZINC000160849023 542725525 /nfs/dbraw/zinc/72/55/25/542725525.db2.gz RJQADSHKPGVQKJ-KRWDZBQOSA-N 2 1 303.494 2.971 20 70 DFIDMP CCCC[C@H](COC)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000160609382 425989736 /nfs/dbraw/zinc/98/97/36/425989736.db2.gz BFYYMYIVXGDABM-LJQANCHMSA-N 2 1 320.477 2.814 20 70 DFIDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)CC[N@@H+]1C ZINC000159452257 425960563 /nfs/dbraw/zinc/96/05/63/425960563.db2.gz KUKFUTDGTCJSNS-KBAYOESNSA-N 2 1 312.461 2.599 20 70 DFIDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3C#N)C2)CC[N@H+]1C ZINC000159452257 425960565 /nfs/dbraw/zinc/96/05/65/425960565.db2.gz KUKFUTDGTCJSNS-KBAYOESNSA-N 2 1 312.461 2.599 20 70 DFIDMP C[C@@H]1C[C@@H](N(C)CC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000159999900 425972818 /nfs/dbraw/zinc/97/28/18/425972818.db2.gz XEPHGOFCBFCHEH-QAPCUYQASA-N 2 1 307.457 2.672 20 70 DFIDMP C[C@@H]1C[C@@H](N(C)CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000159999900 425972821 /nfs/dbraw/zinc/97/28/21/425972821.db2.gz XEPHGOFCBFCHEH-QAPCUYQASA-N 2 1 307.457 2.672 20 70 DFIDMP C[C@@H]1C[C@@H](N(C)CC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000159999900 425972823 /nfs/dbraw/zinc/97/28/23/425972823.db2.gz XEPHGOFCBFCHEH-QAPCUYQASA-N 2 1 307.457 2.672 20 70 DFIDMP C[NH+]1CCC([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000161469786 277030910 /nfs/dbraw/zinc/03/09/10/277030910.db2.gz OOHJKMFSHQSJRU-UHFFFAOYSA-N 2 1 307.869 2.993 20 70 DFIDMP CCOC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160320360 520077014 /nfs/dbraw/zinc/07/70/14/520077014.db2.gz NCRBLQCNTSRSIQ-ZACQAIPSSA-N 2 1 320.477 2.810 20 70 DFIDMP CC(C)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccn1 ZINC000160670935 197430263 /nfs/dbraw/zinc/43/02/63/197430263.db2.gz RJCPJEYUKUIRPM-MJGOQNOKSA-N 2 1 319.493 2.995 20 70 DFIDMP CCC[NH+]1CCC(NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000160107474 542720810 /nfs/dbraw/zinc/72/08/10/542720810.db2.gz VUSJQQFDLKNVPO-UHFFFAOYSA-N 2 1 307.457 2.722 20 70 DFIDMP CCC[NH+]1CCC(NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000160107474 542720811 /nfs/dbraw/zinc/72/08/11/542720811.db2.gz VUSJQQFDLKNVPO-UHFFFAOYSA-N 2 1 307.457 2.722 20 70 DFIDMP CCCNC(=O)c1cccc(CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000160585153 425988510 /nfs/dbraw/zinc/98/85/10/425988510.db2.gz JAWOTQAROGZZSE-YJBOKZPZSA-N 2 1 317.477 2.646 20 70 DFIDMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000160585153 425988514 /nfs/dbraw/zinc/98/85/14/425988514.db2.gz JAWOTQAROGZZSE-YJBOKZPZSA-N 2 1 317.477 2.646 20 70 DFIDMP CCOCC[N@H+]1CCN(c2cc(C)nc(C)c2C#N)C[C@H]1CC ZINC000160655317 425990927 /nfs/dbraw/zinc/99/09/27/425990927.db2.gz CJXBNXUSXNSHRN-MRXNPFEDSA-N 2 1 316.449 2.507 20 70 DFIDMP C[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000160863869 425999246 /nfs/dbraw/zinc/99/92/46/425999246.db2.gz VXLXETCUIYUADR-SFNKJDCFSA-N 2 1 303.494 2.825 20 70 DFIDMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863869 425999256 /nfs/dbraw/zinc/99/92/56/425999256.db2.gz VXLXETCUIYUADR-SFNKJDCFSA-N 2 1 303.494 2.825 20 70 DFIDMP CC[NH+](C)C[C@H]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000160021223 425973167 /nfs/dbraw/zinc/97/31/67/425973167.db2.gz XXGMQLSASYSDBA-QGZVFWFLSA-N 2 1 307.457 2.531 20 70 DFIDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161442349 426024747 /nfs/dbraw/zinc/02/47/47/426024747.db2.gz YFUPUNPCVHUVEP-LBPRGKRZSA-N 2 1 301.434 2.661 20 70 DFIDMP COc1ccc(COCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000161062747 426007556 /nfs/dbraw/zinc/00/75/56/426007556.db2.gz KYMYCLSTCHUOHQ-DOTOQJQBSA-N 2 1 306.450 2.674 20 70 DFIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000161132627 426009839 /nfs/dbraw/zinc/00/98/39/426009839.db2.gz TYJXHXDTJQRWFL-BMFZPTHFSA-N 2 1 324.490 2.614 20 70 DFIDMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000161185716 426012896 /nfs/dbraw/zinc/01/28/96/426012896.db2.gz VWAGOWFZNRDOIT-DLBZAZTESA-N 2 1 311.514 2.734 20 70 DFIDMP CCN(C)[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161362010 426021540 /nfs/dbraw/zinc/02/15/40/426021540.db2.gz FYUWYNRXFZFPHP-JQHSSLGASA-N 2 1 317.477 2.524 20 70 DFIDMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161362010 426021544 /nfs/dbraw/zinc/02/15/44/426021544.db2.gz FYUWYNRXFZFPHP-JQHSSLGASA-N 2 1 317.477 2.524 20 70 DFIDMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161362010 426021547 /nfs/dbraw/zinc/02/15/47/426021547.db2.gz FYUWYNRXFZFPHP-JQHSSLGASA-N 2 1 317.477 2.524 20 70 DFIDMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161362010 426021549 /nfs/dbraw/zinc/02/15/49/426021549.db2.gz FYUWYNRXFZFPHP-JQHSSLGASA-N 2 1 317.477 2.524 20 70 DFIDMP CC(=O)NC1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000161341450 277024728 /nfs/dbraw/zinc/02/47/28/277024728.db2.gz NWGCNIZGKCLFBJ-KUQKPQIMSA-N 2 1 309.498 2.534 20 70 DFIDMP C[C@H](CN[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000160863635 279354376 /nfs/dbraw/zinc/35/43/76/279354376.db2.gz VXLXETCUIYUADR-NTDBWNAOSA-N 2 1 303.494 2.825 20 70 DFIDMP C[C@H](CN[C@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000160863635 279354377 /nfs/dbraw/zinc/35/43/77/279354377.db2.gz VXLXETCUIYUADR-NTDBWNAOSA-N 2 1 303.494 2.825 20 70 DFIDMP C[C@H](CN[C@H]1C[C@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000160863635 279354379 /nfs/dbraw/zinc/35/43/79/279354379.db2.gz VXLXETCUIYUADR-NTDBWNAOSA-N 2 1 303.494 2.825 20 70 DFIDMP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863635 279354380 /nfs/dbraw/zinc/35/43/80/279354380.db2.gz VXLXETCUIYUADR-NTDBWNAOSA-N 2 1 303.494 2.825 20 70 DFIDMP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863635 279354383 /nfs/dbraw/zinc/35/43/83/279354383.db2.gz VXLXETCUIYUADR-NTDBWNAOSA-N 2 1 303.494 2.825 20 70 DFIDMP C[N@@H+](CCN1CC[C@H]2[C@H](CCC[NH+]2C)C1)Cc1ccc(F)cc1 ZINC000160287295 522840011 /nfs/dbraw/zinc/84/00/11/522840011.db2.gz DANRBUAGTDNIAP-MJGOQNOKSA-N 2 1 319.468 2.674 20 70 DFIDMP C[NH+](CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)Cc1ccc(F)cc1 ZINC000160287295 522840018 /nfs/dbraw/zinc/84/00/18/522840018.db2.gz DANRBUAGTDNIAP-MJGOQNOKSA-N 2 1 319.468 2.674 20 70 DFIDMP C[NH+](CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)Cc1ccc(F)cc1 ZINC000160287295 522840029 /nfs/dbraw/zinc/84/00/29/522840029.db2.gz DANRBUAGTDNIAP-MJGOQNOKSA-N 2 1 319.468 2.674 20 70 DFIDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000161510954 197500739 /nfs/dbraw/zinc/50/07/39/197500739.db2.gz LVFKADRUBBZGIM-AWEZNQCLSA-N 2 1 301.434 2.558 20 70 DFIDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160535074 425986926 /nfs/dbraw/zinc/98/69/26/425986926.db2.gz VMMZMWVDKJNQCU-WMZOPIPTSA-N 2 1 316.493 2.892 20 70 DFIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160535074 425986928 /nfs/dbraw/zinc/98/69/28/425986928.db2.gz VMMZMWVDKJNQCU-WMZOPIPTSA-N 2 1 316.493 2.892 20 70 DFIDMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000160673244 425992188 /nfs/dbraw/zinc/99/21/88/425992188.db2.gz JLNRNVBVMQOZHZ-HUUCEWRRSA-N 2 1 324.440 2.722 20 70 DFIDMP COc1ccc(COCCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000161077664 426007981 /nfs/dbraw/zinc/00/79/81/426007981.db2.gz DAIZODFKFWCUCC-QAPCUYQASA-N 2 1 306.450 2.532 20 70 DFIDMP CCn1cc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)cn1 ZINC000161310979 426018106 /nfs/dbraw/zinc/01/81/06/426018106.db2.gz GBRZIARBVFNQJL-UHFFFAOYSA-N 2 1 304.482 2.958 20 70 DFIDMP CC(=O)NC1CCC([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000161302508 426018684 /nfs/dbraw/zinc/01/86/84/426018684.db2.gz OIKTWWYMEZHBGT-DAWZGUTISA-N 2 1 309.498 2.534 20 70 DFIDMP COc1cc(C)c(C[N@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000161307808 426019019 /nfs/dbraw/zinc/01/90/19/426019019.db2.gz YCYDMKAQKCPXBX-UHFFFAOYSA-N 2 1 306.450 2.930 20 70 DFIDMP COc1cc(C)c(C[N@@H+](C)CCC[NH+]2CCCC2)cc1OC ZINC000161307808 426019022 /nfs/dbraw/zinc/01/90/22/426019022.db2.gz YCYDMKAQKCPXBX-UHFFFAOYSA-N 2 1 306.450 2.930 20 70 DFIDMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000159914589 276228577 /nfs/dbraw/zinc/22/85/77/276228577.db2.gz JIPLQTHWIHISBU-NUJGCVRESA-N 2 1 301.478 2.758 20 70 DFIDMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000160416299 295390644 /nfs/dbraw/zinc/39/06/44/295390644.db2.gz VQCIDCFLAMKIPS-NVXWUHKLSA-N 2 1 311.514 2.734 20 70 DFIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000160688039 525336376 /nfs/dbraw/zinc/33/63/76/525336376.db2.gz NIQXHQABQNVMRD-QFBILLFUSA-N 2 1 319.493 2.640 20 70 DFIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1OC ZINC000160745426 425994380 /nfs/dbraw/zinc/99/43/80/425994380.db2.gz UTEPIKAEUXUOKU-AEFFLSMTSA-N 2 1 320.477 2.973 20 70 DFIDMP C[NH+](CC1CCN(C(=O)C(C)(C)C)CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000159796816 425967754 /nfs/dbraw/zinc/96/77/54/425967754.db2.gz NACHQSFBUPOQEG-KRWDZBQOSA-N 2 1 323.525 2.545 20 70 DFIDMP C[NH+](CC1CCN(C(=O)C(C)(C)C)CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000159796816 425967757 /nfs/dbraw/zinc/96/77/57/425967757.db2.gz NACHQSFBUPOQEG-KRWDZBQOSA-N 2 1 323.525 2.545 20 70 DFIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OC)cc1 ZINC000160700791 280186404 /nfs/dbraw/zinc/18/64/04/280186404.db2.gz CCLLFEFSDDULEJ-IEBWSBKVSA-N 2 1 320.477 2.973 20 70 DFIDMP CCN(CC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000159457035 295376757 /nfs/dbraw/zinc/37/67/57/295376757.db2.gz JLGNAWJGALMVGR-CABCVRRESA-N 2 1 313.486 2.563 20 70 DFIDMP CCCC(=O)Nc1cccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000159899198 295383399 /nfs/dbraw/zinc/38/33/99/295383399.db2.gz ZNWRSYHMFOPNAE-YOEHRIQHSA-N 2 1 303.450 2.855 20 70 DFIDMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000159899198 295383403 /nfs/dbraw/zinc/38/34/03/295383403.db2.gz ZNWRSYHMFOPNAE-YOEHRIQHSA-N 2 1 303.450 2.855 20 70 DFIDMP Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000159781509 197364305 /nfs/dbraw/zinc/36/43/05/197364305.db2.gz KSBRZJJHBLWZCR-KRWDZBQOSA-N 2 1 300.446 2.986 20 70 DFIDMP Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000159781509 197364307 /nfs/dbraw/zinc/36/43/07/197364307.db2.gz KSBRZJJHBLWZCR-KRWDZBQOSA-N 2 1 300.446 2.986 20 70 DFIDMP CCC[NH+]1CCC(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000159782124 542719576 /nfs/dbraw/zinc/71/95/76/542719576.db2.gz FBGBZLCWRUVXNF-QGZVFWFLSA-N 2 1 315.505 2.897 20 70 DFIDMP CCC[NH+]1CCC(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000159782124 542719577 /nfs/dbraw/zinc/71/95/77/542719577.db2.gz FBGBZLCWRUVXNF-QGZVFWFLSA-N 2 1 315.505 2.897 20 70 DFIDMP COc1ccccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160697665 425993114 /nfs/dbraw/zinc/99/31/14/425993114.db2.gz BZZFSSJRFXYUAU-HZPDHXFCSA-N 2 1 306.450 2.583 20 70 DFIDMP C[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000161450930 426024178 /nfs/dbraw/zinc/02/41/78/426024178.db2.gz JDRCVYCZUFTQMW-UHFFFAOYSA-N 2 1 321.896 2.988 20 70 DFIDMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000161086670 426008165 /nfs/dbraw/zinc/00/81/65/426008165.db2.gz BLKCATVLLWAODY-MPGHIAIKSA-N 2 1 317.477 2.645 20 70 DFIDMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000161086670 426008169 /nfs/dbraw/zinc/00/81/69/426008169.db2.gz BLKCATVLLWAODY-MPGHIAIKSA-N 2 1 317.477 2.645 20 70 DFIDMP [NH3+]CCCOC1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000161151542 426010702 /nfs/dbraw/zinc/01/07/02/426010702.db2.gz PFFDTXOVSGYXLP-UHFFFAOYSA-N 2 1 300.805 2.809 20 70 DFIDMP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000161255192 426014810 /nfs/dbraw/zinc/01/48/10/426014810.db2.gz YJGISHMVMAVELA-OAHLLOKOSA-N 2 1 313.486 2.610 20 70 DFIDMP CC(=O)NC1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000161348032 426021431 /nfs/dbraw/zinc/02/14/31/426021431.db2.gz YBRIZOUBFFZPRF-ODIFPOPNSA-N 2 1 309.498 2.534 20 70 DFIDMP CC(=O)NC1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000161348032 426021432 /nfs/dbraw/zinc/02/14/32/426021432.db2.gz YBRIZOUBFFZPRF-ODIFPOPNSA-N 2 1 309.498 2.534 20 70 DFIDMP CC(=O)NC1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000161341343 278088757 /nfs/dbraw/zinc/08/87/57/278088757.db2.gz NWGCNIZGKCLFBJ-LTDKPHRXSA-N 2 1 309.498 2.534 20 70 DFIDMP CC(C)(C)C[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000160530644 425986326 /nfs/dbraw/zinc/98/63/26/425986326.db2.gz UYGMGNRDOQZRDF-QGZVFWFLSA-N 2 1 321.509 2.630 20 70 DFIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000160688129 425991815 /nfs/dbraw/zinc/99/18/15/425991815.db2.gz NIQXHQABQNVMRD-VQIMIIECSA-N 2 1 319.493 2.640 20 70 DFIDMP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160761114 425995721 /nfs/dbraw/zinc/99/57/21/425995721.db2.gz NXHBHGCKKWCBNU-QGZVFWFLSA-N 2 1 323.525 2.735 20 70 DFIDMP CC(=O)NC1CCC([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000161294155 277024409 /nfs/dbraw/zinc/02/44/09/277024409.db2.gz GIYIVTADECBQRN-ZLPCBKJTSA-N 2 1 309.498 2.535 20 70 DFIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000161132759 290049596 /nfs/dbraw/zinc/04/95/96/290049596.db2.gz TYJXHXDTJQRWFL-BPUTZDHNSA-N 2 1 324.490 2.614 20 70 DFIDMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000159873166 295383107 /nfs/dbraw/zinc/38/31/07/295383107.db2.gz WMFITVLNSJTKQW-GDBMZVCRSA-N 2 1 303.450 2.998 20 70 DFIDMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000159873166 295383109 /nfs/dbraw/zinc/38/31/09/295383109.db2.gz WMFITVLNSJTKQW-GDBMZVCRSA-N 2 1 303.450 2.998 20 70 DFIDMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000160164152 295387301 /nfs/dbraw/zinc/38/73/01/295387301.db2.gz HDFVQLMQHZAWJS-AWEZNQCLSA-N 2 1 324.490 2.615 20 70 DFIDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2)[C@H](C)C1 ZINC000161282475 542727910 /nfs/dbraw/zinc/72/79/10/542727910.db2.gz JPAMXQAQVQTEMY-CRAIPNDOSA-N 2 1 305.466 2.617 20 70 DFIDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2)[C@H](C)C1 ZINC000161282475 542727913 /nfs/dbraw/zinc/72/79/13/542727913.db2.gz JPAMXQAQVQTEMY-CRAIPNDOSA-N 2 1 305.466 2.617 20 70 DFIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccnc1Cl ZINC000160693579 425992349 /nfs/dbraw/zinc/99/23/49/425992349.db2.gz ZKKYZRQCKKLOHI-UONOGXRCSA-N 2 1 311.857 2.623 20 70 DFIDMP CCC[N@H+]1CCCN(CC[NH+](C)Cc2ccc(F)cc2)CC1 ZINC000159640372 425964660 /nfs/dbraw/zinc/96/46/60/425964660.db2.gz TYWQERWULYMNHC-UHFFFAOYSA-N 2 1 307.457 2.675 20 70 DFIDMP CCC[NH+]1CCCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000159640372 425964663 /nfs/dbraw/zinc/96/46/63/425964663.db2.gz TYWQERWULYMNHC-UHFFFAOYSA-N 2 1 307.457 2.675 20 70 DFIDMP CCC[NH+]1CCCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000159640372 425964665 /nfs/dbraw/zinc/96/46/65/425964665.db2.gz TYWQERWULYMNHC-UHFFFAOYSA-N 2 1 307.457 2.675 20 70 DFIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159992972 425971930 /nfs/dbraw/zinc/97/19/30/425971930.db2.gz AVWYKUMWPCTGSD-ZFWWWQNUSA-N 2 1 321.431 2.581 20 70 DFIDMP COc1ccc([C@@H](CO)[N@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000161358010 426021009 /nfs/dbraw/zinc/02/10/09/426021009.db2.gz UVCVETMPVRFCBA-GOSISDBHSA-N 2 1 306.450 2.536 20 70 DFIDMP COc1ccc([C@@H](CO)[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000161358010 426021012 /nfs/dbraw/zinc/02/10/12/426021012.db2.gz UVCVETMPVRFCBA-GOSISDBHSA-N 2 1 306.450 2.536 20 70 DFIDMP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161362171 276309350 /nfs/dbraw/zinc/30/93/50/276309350.db2.gz FYUWYNRXFZFPHP-CGTJXYLNSA-N 2 1 317.477 2.524 20 70 DFIDMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161362171 276309351 /nfs/dbraw/zinc/30/93/51/276309351.db2.gz FYUWYNRXFZFPHP-CGTJXYLNSA-N 2 1 317.477 2.524 20 70 DFIDMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161362171 276309353 /nfs/dbraw/zinc/30/93/53/276309353.db2.gz FYUWYNRXFZFPHP-CGTJXYLNSA-N 2 1 317.477 2.524 20 70 DFIDMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161362171 276309354 /nfs/dbraw/zinc/30/93/54/276309354.db2.gz FYUWYNRXFZFPHP-CGTJXYLNSA-N 2 1 317.477 2.524 20 70 DFIDMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000161071467 295398069 /nfs/dbraw/zinc/39/80/69/295398069.db2.gz IOQJAYNNKZPYBS-VQIMIIECSA-N 2 1 320.477 2.922 20 70 DFIDMP C[C@H]1C[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)CC[N@H+]1C ZINC000159960829 425971904 /nfs/dbraw/zinc/97/19/04/425971904.db2.gz CFMACYLPVFCWKT-ZFWWWQNUSA-N 2 1 321.431 2.723 20 70 DFIDMP C[C@H]1C[C@H](N(C)CC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000159999767 425972873 /nfs/dbraw/zinc/97/28/73/425972873.db2.gz XEPHGOFCBFCHEH-MAUKXSAKSA-N 2 1 307.457 2.672 20 70 DFIDMP C[C@H]1C[C@H](N(C)CC[N@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000159999767 425972876 /nfs/dbraw/zinc/97/28/76/425972876.db2.gz XEPHGOFCBFCHEH-MAUKXSAKSA-N 2 1 307.457 2.672 20 70 DFIDMP C[C@H]1C[C@H](N(C)CC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000159999767 425972879 /nfs/dbraw/zinc/97/28/79/425972879.db2.gz XEPHGOFCBFCHEH-MAUKXSAKSA-N 2 1 307.457 2.672 20 70 DFIDMP C[NH+](CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)Cc1ccc(F)cc1 ZINC000160287156 425978410 /nfs/dbraw/zinc/97/84/10/425978410.db2.gz DANRBUAGTDNIAP-HKUYNNGSSA-N 2 1 319.468 2.674 20 70 DFIDMP CCN(CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC000159457184 295376976 /nfs/dbraw/zinc/37/69/76/295376976.db2.gz JLGNAWJGALMVGR-HUUCEWRRSA-N 2 1 313.486 2.563 20 70 DFIDMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000160164275 295387376 /nfs/dbraw/zinc/38/73/76/295387376.db2.gz HDFVQLMQHZAWJS-CQSZACIVSA-N 2 1 324.490 2.615 20 70 DFIDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCn2ccnc2)CC1 ZINC000159796132 197365193 /nfs/dbraw/zinc/36/51/93/197365193.db2.gz GKUKFGXXWHNMHM-UHFFFAOYSA-N 2 1 312.461 2.727 20 70 DFIDMP COc1cc(C)c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000161308080 286205534 /nfs/dbraw/zinc/20/55/34/286205534.db2.gz KVFCAFVCFGGBRQ-HNNXBMFYSA-N 2 1 306.450 2.786 20 70 DFIDMP COc1cc(C)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000161308080 286205535 /nfs/dbraw/zinc/20/55/35/286205535.db2.gz KVFCAFVCFGGBRQ-HNNXBMFYSA-N 2 1 306.450 2.786 20 70 DFIDMP COc1cc(C)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000161308080 286205536 /nfs/dbraw/zinc/20/55/36/286205536.db2.gz KVFCAFVCFGGBRQ-HNNXBMFYSA-N 2 1 306.450 2.786 20 70 DFIDMP COc1cc(C)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000161308080 286205537 /nfs/dbraw/zinc/20/55/37/286205537.db2.gz KVFCAFVCFGGBRQ-HNNXBMFYSA-N 2 1 306.450 2.786 20 70 DFIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccnc1Cl ZINC000160693704 425992287 /nfs/dbraw/zinc/99/22/87/425992287.db2.gz ZKKYZRQCKKLOHI-ZIAGYGMSSA-N 2 1 311.857 2.623 20 70 DFIDMP CC[C@](C)(O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000160857693 425999015 /nfs/dbraw/zinc/99/90/15/425999015.db2.gz MVHHCBJVOFLBMQ-IBGZPJMESA-N 2 1 304.478 2.991 20 70 DFIDMP CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000160142754 425975008 /nfs/dbraw/zinc/97/50/08/425975008.db2.gz IDFFYRANPPCONS-YQVWRLOYSA-N 2 1 318.509 2.612 20 70 DFIDMP CC[C@@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000160142754 425975011 /nfs/dbraw/zinc/97/50/11/425975011.db2.gz IDFFYRANPPCONS-YQVWRLOYSA-N 2 1 318.509 2.612 20 70 DFIDMP Cc1nc(C[C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)no1 ZINC000161330822 426019927 /nfs/dbraw/zinc/01/99/27/426019927.db2.gz GPCSSWIWZKLDPB-MRXNPFEDSA-N 2 1 306.454 2.509 20 70 DFIDMP Cc1nc(C[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)no1 ZINC000161330822 426019930 /nfs/dbraw/zinc/01/99/30/426019930.db2.gz GPCSSWIWZKLDPB-MRXNPFEDSA-N 2 1 306.454 2.509 20 70 DFIDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160534949 425986036 /nfs/dbraw/zinc/98/60/36/425986036.db2.gz VMMZMWVDKJNQCU-AEFFLSMTSA-N 2 1 316.493 2.892 20 70 DFIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160534949 425986040 /nfs/dbraw/zinc/98/60/40/425986040.db2.gz VMMZMWVDKJNQCU-AEFFLSMTSA-N 2 1 316.493 2.892 20 70 DFIDMP CCOc1ccccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160743619 425994303 /nfs/dbraw/zinc/99/43/03/425994303.db2.gz HPZIWGBLOYHOPK-DLBZAZTESA-N 2 1 320.477 2.973 20 70 DFIDMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)N2CCc3sccc3C2)[C@H](C)C1 ZINC000159854533 425968474 /nfs/dbraw/zinc/96/84/74/425968474.db2.gz ZLDXVJFBGIPANL-BFYDXBDKSA-N 2 1 321.534 2.815 20 70 DFIDMP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919417 425970307 /nfs/dbraw/zinc/97/03/07/425970307.db2.gz YKXCVOJUKJMIDS-HPFXQQBRSA-N 2 1 301.478 2.756 20 70 DFIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159992882 425971398 /nfs/dbraw/zinc/97/13/98/425971398.db2.gz AVWYKUMWPCTGSD-HIFRSBDPSA-N 2 1 321.431 2.581 20 70 DFIDMP C[NH+]1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000161425174 426022616 /nfs/dbraw/zinc/02/26/16/426022616.db2.gz MXFVXAYZWFKKOX-MRXNPFEDSA-N 2 1 303.406 2.600 20 70 DFIDMP OCC[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCc2ccccc21 ZINC000161429535 426023439 /nfs/dbraw/zinc/02/34/39/426023439.db2.gz XVCPMIJLEFAXFR-IBGZPJMESA-N 2 1 302.462 2.844 20 70 DFIDMP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000161086298 426008045 /nfs/dbraw/zinc/00/80/45/426008045.db2.gz BLKCATVLLWAODY-HDMKZQKVSA-N 2 1 317.477 2.645 20 70 DFIDMP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000161086298 426008049 /nfs/dbraw/zinc/00/80/49/426008049.db2.gz BLKCATVLLWAODY-HDMKZQKVSA-N 2 1 317.477 2.645 20 70 DFIDMP COc1ccc(COCCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000161077794 426008177 /nfs/dbraw/zinc/00/81/77/426008177.db2.gz DAIZODFKFWCUCC-YJBOKZPZSA-N 2 1 306.450 2.532 20 70 DFIDMP CC(=O)NC1CCC([NH2+]C[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC1 ZINC000161280139 426017084 /nfs/dbraw/zinc/01/70/84/426017084.db2.gz IXYCAIPGTFUAAP-ACBHZAAOSA-N 2 1 323.525 2.780 20 70 DFIDMP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000161278348 426017763 /nfs/dbraw/zinc/01/77/63/426017763.db2.gz YWDSOEFGZZTRIL-DLBZAZTESA-N 2 1 323.525 2.865 20 70 DFIDMP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000160228613 295388254 /nfs/dbraw/zinc/38/82/54/295388254.db2.gz IUXNNIPJJBQFKH-HOTGVXAUSA-N 2 1 317.477 2.598 20 70 DFIDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160314930 521489960 /nfs/dbraw/zinc/48/99/60/521489960.db2.gz XXHCYRLBLWXVJH-AWEZNQCLSA-N 2 1 322.449 2.573 20 70 DFIDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160314930 521489968 /nfs/dbraw/zinc/48/99/68/521489968.db2.gz XXHCYRLBLWXVJH-AWEZNQCLSA-N 2 1 322.449 2.573 20 70 DFIDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160314930 521489979 /nfs/dbraw/zinc/48/99/79/521489979.db2.gz XXHCYRLBLWXVJH-AWEZNQCLSA-N 2 1 322.449 2.573 20 70 DFIDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160314930 521489983 /nfs/dbraw/zinc/48/99/83/521489983.db2.gz XXHCYRLBLWXVJH-AWEZNQCLSA-N 2 1 322.449 2.573 20 70 DFIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000161132879 296163830 /nfs/dbraw/zinc/16/38/30/296163830.db2.gz TYJXHXDTJQRWFL-KBMXLJTQSA-N 2 1 324.490 2.614 20 70 DFIDMP CCC[NH+]1CCC(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000159782239 542719613 /nfs/dbraw/zinc/71/96/13/542719613.db2.gz FBGBZLCWRUVXNF-KRWDZBQOSA-N 2 1 315.505 2.897 20 70 DFIDMP CCC[NH+]1CCC(NC[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000159782239 542719615 /nfs/dbraw/zinc/71/96/15/542719615.db2.gz FBGBZLCWRUVXNF-KRWDZBQOSA-N 2 1 315.505 2.897 20 70 DFIDMP Cc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160676111 425992054 /nfs/dbraw/zinc/99/20/54/425992054.db2.gz GPWJIWCVLFSMFG-APWZRJJASA-N 2 1 302.462 2.809 20 70 DFIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000160669922 425992485 /nfs/dbraw/zinc/99/24/85/425992485.db2.gz WPNJMTXFDBFPMM-UXHICEINSA-N 2 1 316.489 2.834 20 70 DFIDMP CCOc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160756900 425995493 /nfs/dbraw/zinc/99/54/93/425995493.db2.gz PHWCMJPQBNJVOD-SJLPKXTDSA-N 2 1 320.477 2.973 20 70 DFIDMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000159816829 425969620 /nfs/dbraw/zinc/96/96/20/425969620.db2.gz XVAFJCUFDVKXTR-UHFFFAOYSA-N 2 1 324.432 2.504 20 70 DFIDMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000159914724 425970902 /nfs/dbraw/zinc/97/09/02/425970902.db2.gz JIPLQTHWIHISBU-JFIYKMOQSA-N 2 1 301.478 2.758 20 70 DFIDMP C[C@@H]1C[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)CC[N@H+]1C ZINC000159960689 425972004 /nfs/dbraw/zinc/97/20/04/425972004.db2.gz CFMACYLPVFCWKT-HIFRSBDPSA-N 2 1 321.431 2.723 20 70 DFIDMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161463114 426024953 /nfs/dbraw/zinc/02/49/53/426024953.db2.gz XQWCUNFMRSJVBS-ABHNRTSZSA-N 2 1 309.498 2.678 20 70 DFIDMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161463114 426024956 /nfs/dbraw/zinc/02/49/56/426024956.db2.gz XQWCUNFMRSJVBS-ABHNRTSZSA-N 2 1 309.498 2.678 20 70 DFIDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161460790 426025840 /nfs/dbraw/zinc/02/58/40/426025840.db2.gz RMYXBILOMOUSGY-UHFFFAOYSA-N 2 1 318.461 2.914 20 70 DFIDMP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000161255032 426014552 /nfs/dbraw/zinc/01/45/52/426014552.db2.gz YJGISHMVMAVELA-HNNXBMFYSA-N 2 1 313.486 2.610 20 70 DFIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000161132504 278272278 /nfs/dbraw/zinc/27/22/78/278272278.db2.gz TYJXHXDTJQRWFL-IMJJTQAJSA-N 2 1 324.490 2.614 20 70 DFIDMP CC[N@@H+](C)C[C@@H]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000160021116 279036842 /nfs/dbraw/zinc/03/68/42/279036842.db2.gz XXGMQLSASYSDBA-KRWDZBQOSA-N 2 1 307.457 2.531 20 70 DFIDMP CC[NH+](C)C[C@@H]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000160021116 279036843 /nfs/dbraw/zinc/03/68/43/279036843.db2.gz XXGMQLSASYSDBA-KRWDZBQOSA-N 2 1 307.457 2.531 20 70 DFIDMP CC[NH+](C)C[C@@H]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000160021116 279036844 /nfs/dbraw/zinc/03/68/44/279036844.db2.gz XXGMQLSASYSDBA-KRWDZBQOSA-N 2 1 307.457 2.531 20 70 DFIDMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](CCC)[NH+](C)C)CC1 ZINC000160991099 295397255 /nfs/dbraw/zinc/39/72/55/295397255.db2.gz QXNRXRUOLHKSIE-KRWDZBQOSA-N 2 1 311.514 2.687 20 70 DFIDMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160488710 521041104 /nfs/dbraw/zinc/04/11/04/521041104.db2.gz KOCGFNMHBAKTJD-FUHWJXTLSA-N 2 1 316.493 2.748 20 70 DFIDMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160488710 521041110 /nfs/dbraw/zinc/04/11/10/521041110.db2.gz KOCGFNMHBAKTJD-FUHWJXTLSA-N 2 1 316.493 2.748 20 70 DFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160121472 197387578 /nfs/dbraw/zinc/38/75/78/197387578.db2.gz FWSVAERJFUFAIT-IIDMSEBBSA-N 2 1 307.457 2.576 20 70 DFIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160121193 197386854 /nfs/dbraw/zinc/38/68/54/197386854.db2.gz FWSVAERJFUFAIT-RKVPGOIHSA-N 2 1 307.457 2.576 20 70 DFIDMP CCC[NH+]1CCC(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000160848873 542725597 /nfs/dbraw/zinc/72/55/97/542725597.db2.gz RJQADSHKPGVQKJ-QGZVFWFLSA-N 2 1 303.494 2.971 20 70 DFIDMP CCC[NH+]1CCC([NH2+]C[C@@H](C)N(C)Cc2ccccc2)CC1 ZINC000160848873 542725601 /nfs/dbraw/zinc/72/56/01/542725601.db2.gz RJQADSHKPGVQKJ-QGZVFWFLSA-N 2 1 303.494 2.971 20 70 DFIDMP CC(C)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccn1 ZINC000160671049 425992574 /nfs/dbraw/zinc/99/25/74/425992574.db2.gz RJCPJEYUKUIRPM-IEBWSBKVSA-N 2 1 319.493 2.995 20 70 DFIDMP COc1ccc(COCCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000161062974 426007714 /nfs/dbraw/zinc/00/77/14/426007714.db2.gz KYMYCLSTCHUOHQ-RDJZCZTQSA-N 2 1 306.450 2.674 20 70 DFIDMP CC(=O)NC1CCC([NH2+]CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000161346699 426019717 /nfs/dbraw/zinc/01/97/17/426019717.db2.gz OUOJYJRNUWEYOJ-BXXOZEPKSA-N 2 1 323.525 2.780 20 70 DFIDMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](CCC)[NH+](C)C)CC1 ZINC000160990996 295397310 /nfs/dbraw/zinc/39/73/10/295397310.db2.gz QXNRXRUOLHKSIE-QGZVFWFLSA-N 2 1 311.514 2.687 20 70 DFIDMP CCN1CC[C@H]([NH2+]C[C@@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000159802965 197365210 /nfs/dbraw/zinc/36/52/10/197365210.db2.gz XZNSYDBVDMKYOI-HLIPFELVSA-N 2 1 315.505 2.753 20 70 DFIDMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000159802965 197365209 /nfs/dbraw/zinc/36/52/09/197365209.db2.gz XZNSYDBVDMKYOI-HLIPFELVSA-N 2 1 315.505 2.753 20 70 DFIDMP Cc1cccc2c1CC[C@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160676247 425992304 /nfs/dbraw/zinc/99/23/04/425992304.db2.gz GPWJIWCVLFSMFG-VQIMIIECSA-N 2 1 302.462 2.809 20 70 DFIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OC)cc1 ZINC000160700675 425993520 /nfs/dbraw/zinc/99/35/20/425993520.db2.gz CCLLFEFSDDULEJ-MJGOQNOKSA-N 2 1 320.477 2.973 20 70 DFIDMP COc1ccc(C#N)cc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000159968292 425972095 /nfs/dbraw/zinc/97/20/95/425972095.db2.gz LHBFZPLHYYSJPI-UHFFFAOYSA-N 2 1 324.428 2.755 20 70 DFIDMP C[C@H]1C[C@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1C ZINC000160000279 425973117 /nfs/dbraw/zinc/97/31/17/425973117.db2.gz CYJJNKKOMBVYIG-DOTOQJQBSA-N 2 1 323.525 2.686 20 70 DFIDMP C[C@H]1C[C@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1C ZINC000160000279 425973119 /nfs/dbraw/zinc/97/31/19/425973119.db2.gz CYJJNKKOMBVYIG-DOTOQJQBSA-N 2 1 323.525 2.686 20 70 DFIDMP C[C@H]1C[C@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1C ZINC000160000279 425973122 /nfs/dbraw/zinc/97/31/22/425973122.db2.gz CYJJNKKOMBVYIG-DOTOQJQBSA-N 2 1 323.525 2.686 20 70 DFIDMP C[C@H]1C[C@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1C ZINC000160000279 425973123 /nfs/dbraw/zinc/97/31/23/425973123.db2.gz CYJJNKKOMBVYIG-DOTOQJQBSA-N 2 1 323.525 2.686 20 70 DFIDMP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000161086565 426007830 /nfs/dbraw/zinc/00/78/30/426007830.db2.gz BLKCATVLLWAODY-DAYGRLMNSA-N 2 1 317.477 2.645 20 70 DFIDMP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000161086565 426007832 /nfs/dbraw/zinc/00/78/32/426007832.db2.gz BLKCATVLLWAODY-DAYGRLMNSA-N 2 1 317.477 2.645 20 70 DFIDMP Cc1nc(C[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)no1 ZINC000161330723 426020199 /nfs/dbraw/zinc/02/01/99/426020199.db2.gz GPCSSWIWZKLDPB-INIZCTEOSA-N 2 1 306.454 2.509 20 70 DFIDMP Cc1nc(C[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)no1 ZINC000161330723 426020201 /nfs/dbraw/zinc/02/02/01/426020201.db2.gz GPCSSWIWZKLDPB-INIZCTEOSA-N 2 1 306.454 2.509 20 70 DFIDMP CC(=O)NC1CCC([NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000161293612 277024347 /nfs/dbraw/zinc/02/43/47/277024347.db2.gz WQVUEPBNPJQGCL-ZLPCBKJTSA-N 2 1 309.498 2.678 20 70 DFIDMP CCOC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160320479 286161739 /nfs/dbraw/zinc/16/17/39/286161739.db2.gz NCRBLQCNTSRSIQ-YESZJQIVSA-N 2 1 320.477 2.810 20 70 DFIDMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cn2)CC1 ZINC000160467714 425983992 /nfs/dbraw/zinc/98/39/92/425983992.db2.gz OKWFORDJPVGFRN-SJLPKXTDSA-N 2 1 316.493 2.890 20 70 DFIDMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cn2)CC1 ZINC000160467714 425983994 /nfs/dbraw/zinc/98/39/94/425983994.db2.gz OKWFORDJPVGFRN-SJLPKXTDSA-N 2 1 316.493 2.890 20 70 DFIDMP CCCNC(=O)c1cccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000160594341 425988864 /nfs/dbraw/zinc/98/88/64/425988864.db2.gz NGTCSEYBRAJSQS-RLFYNMQTSA-N 2 1 317.477 2.645 20 70 DFIDMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000160594341 425988871 /nfs/dbraw/zinc/98/88/71/425988871.db2.gz NGTCSEYBRAJSQS-RLFYNMQTSA-N 2 1 317.477 2.645 20 70 DFIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160607092 425990018 /nfs/dbraw/zinc/99/00/18/425990018.db2.gz BENSAZOIPJEOJZ-KBPBESRZSA-N 2 1 307.507 2.884 20 70 DFIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000160664332 425991437 /nfs/dbraw/zinc/99/14/37/425991437.db2.gz ONYOSNGXVWHGEF-AEFFLSMTSA-N 2 1 306.425 2.640 20 70 DFIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(OC)c1 ZINC000160680795 425992642 /nfs/dbraw/zinc/99/26/42/425992642.db2.gz QQZWFTIKIUQRGK-IEBWSBKVSA-N 2 1 320.477 2.973 20 70 DFIDMP COC[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C)c2)CC1)C1CC1 ZINC000159364908 425959529 /nfs/dbraw/zinc/95/95/29/425959529.db2.gz MKJRCZMKVRNZNX-LJQANCHMSA-N 2 1 302.462 2.974 20 70 DFIDMP C[C@@H]1C[C@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1C ZINC000160000182 425972984 /nfs/dbraw/zinc/97/29/84/425972984.db2.gz CYJJNKKOMBVYIG-NVXWUHKLSA-N 2 1 323.525 2.686 20 70 DFIDMP C[C@@H]1C[C@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1C ZINC000160000182 425972987 /nfs/dbraw/zinc/97/29/87/425972987.db2.gz CYJJNKKOMBVYIG-NVXWUHKLSA-N 2 1 323.525 2.686 20 70 DFIDMP C[C@@H]1C[C@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1C ZINC000160000182 425972988 /nfs/dbraw/zinc/97/29/88/425972988.db2.gz CYJJNKKOMBVYIG-NVXWUHKLSA-N 2 1 323.525 2.686 20 70 DFIDMP C[C@@H]1C[C@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1C ZINC000160000182 425972990 /nfs/dbraw/zinc/97/29/90/425972990.db2.gz CYJJNKKOMBVYIG-NVXWUHKLSA-N 2 1 323.525 2.686 20 70 DFIDMP CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161088537 426007385 /nfs/dbraw/zinc/00/73/85/426007385.db2.gz QJTFGOJTOVTWCP-QGZVFWFLSA-N 2 1 323.525 2.737 20 70 DFIDMP C[NH+](C)[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)c1ccccc1 ZINC000159666513 522004524 /nfs/dbraw/zinc/00/45/24/522004524.db2.gz RGQSPHSEZUFCKZ-GOSISDBHSA-N 2 1 317.477 2.718 20 70 DFIDMP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806398 197365675 /nfs/dbraw/zinc/36/56/75/197365675.db2.gz QLWADWUUINJXJH-YZLZLFLDSA-N 2 1 315.505 2.752 20 70 DFIDMP C[C@H](C[NH2+][C@H]1C[C@H](C)N(C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806398 197365677 /nfs/dbraw/zinc/36/56/77/197365677.db2.gz QLWADWUUINJXJH-YZLZLFLDSA-N 2 1 315.505 2.752 20 70 DFIDMP CCCNC(=O)c1cccc(C[NH2+]C2CC[NH+](CCC)CC2)c1 ZINC000160559619 542723896 /nfs/dbraw/zinc/72/38/96/542723896.db2.gz OFGWAJDTGCANHV-UHFFFAOYSA-N 2 1 317.477 2.790 20 70 DFIDMP COc1ccccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160697571 425993491 /nfs/dbraw/zinc/99/34/91/425993491.db2.gz BZZFSSJRFXYUAU-JKSUJKDBSA-N 2 1 306.450 2.583 20 70 DFIDMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160741857 425994119 /nfs/dbraw/zinc/99/41/19/425994119.db2.gz YXSDLPXEHBWKLD-NVXWUHKLSA-N 2 1 306.450 2.583 20 70 DFIDMP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000160770396 425995787 /nfs/dbraw/zinc/99/57/87/425995787.db2.gz VENZHROBBSBAEP-SNRMKQJTSA-N 2 1 302.462 2.912 20 70 DFIDMP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000160770396 425995789 /nfs/dbraw/zinc/99/57/89/425995789.db2.gz VENZHROBBSBAEP-SNRMKQJTSA-N 2 1 302.462 2.912 20 70 DFIDMP CC[NH+](CC)C[C@H]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000159901432 425970785 /nfs/dbraw/zinc/97/07/85/425970785.db2.gz AJXFFNOEGXDPIT-GOSISDBHSA-N 2 1 321.484 2.921 20 70 DFIDMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919542 425970927 /nfs/dbraw/zinc/97/09/27/425970927.db2.gz YKXCVOJUKJMIDS-YFHUEUNASA-N 2 1 301.478 2.756 20 70 DFIDMP CC[N@H+]1CC[C@@H]([NH2+]CCN(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000160116731 197386801 /nfs/dbraw/zinc/38/68/01/197386801.db2.gz YMSTYUPICRGILS-CRAIPNDOSA-N 2 1 307.457 2.577 20 70 DFIDMP CCOCC[N@H+]1CCN(c2cc(C)nc(C)c2C#N)C[C@@H]1CC ZINC000160655444 425991084 /nfs/dbraw/zinc/99/10/84/425991084.db2.gz CJXBNXUSXNSHRN-INIZCTEOSA-N 2 1 316.449 2.507 20 70 DFIDMP COC[C@H]([NH2+]C1CC[NH+](Cc2cccc(C)c2)CC1)C1CC1 ZINC000159364756 425959310 /nfs/dbraw/zinc/95/93/10/425959310.db2.gz MKJRCZMKVRNZNX-IBGZPJMESA-N 2 1 302.462 2.974 20 70 DFIDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000161511031 426027494 /nfs/dbraw/zinc/02/74/94/426027494.db2.gz LVFKADRUBBZGIM-CQSZACIVSA-N 2 1 301.434 2.558 20 70 DFIDMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@@H]2CCCOC2)C3)cc1 ZINC000161090880 426009153 /nfs/dbraw/zinc/00/91/53/426009153.db2.gz QEIXJLQUGJNOCV-MVCQKVDPSA-N 2 1 300.446 2.951 20 70 DFIDMP C[C@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000160863566 279354551 /nfs/dbraw/zinc/35/45/51/279354551.db2.gz VXLXETCUIYUADR-MTNOOBJLSA-N 2 1 303.494 2.825 20 70 DFIDMP C[C@H](CN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000160863566 279354553 /nfs/dbraw/zinc/35/45/53/279354553.db2.gz VXLXETCUIYUADR-MTNOOBJLSA-N 2 1 303.494 2.825 20 70 DFIDMP C[C@H](CN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000160863566 279354555 /nfs/dbraw/zinc/35/45/55/279354555.db2.gz VXLXETCUIYUADR-MTNOOBJLSA-N 2 1 303.494 2.825 20 70 DFIDMP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863566 279354558 /nfs/dbraw/zinc/35/45/58/279354558.db2.gz VXLXETCUIYUADR-MTNOOBJLSA-N 2 1 303.494 2.825 20 70 DFIDMP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863566 279354560 /nfs/dbraw/zinc/35/45/60/279354560.db2.gz VXLXETCUIYUADR-MTNOOBJLSA-N 2 1 303.494 2.825 20 70 DFIDMP CC[C@@H](COC)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160322741 522593594 /nfs/dbraw/zinc/59/35/94/522593594.db2.gz MWFCSIKDWKFKNE-FCEWJHQRSA-N 2 1 320.477 2.810 20 70 DFIDMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806639 197365066 /nfs/dbraw/zinc/36/50/66/197365066.db2.gz QLWADWUUINJXJH-AXVVYFOYSA-N 2 1 315.505 2.752 20 70 DFIDMP C[C@H](C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806639 197365068 /nfs/dbraw/zinc/36/50/68/197365068.db2.gz QLWADWUUINJXJH-AXVVYFOYSA-N 2 1 315.505 2.752 20 70 DFIDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2)[C@H](C)C1 ZINC000161282364 542727579 /nfs/dbraw/zinc/72/75/79/542727579.db2.gz JPAMXQAQVQTEMY-QAPCUYQASA-N 2 1 305.466 2.617 20 70 DFIDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2)[C@H](C)C1 ZINC000161282364 542727584 /nfs/dbraw/zinc/72/75/84/542727584.db2.gz JPAMXQAQVQTEMY-QAPCUYQASA-N 2 1 305.466 2.617 20 70 DFIDMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1)C(C)C ZINC000160765419 542724783 /nfs/dbraw/zinc/72/47/83/542724783.db2.gz FTVCGEAMQLNNQK-ZWKOTPCHSA-N 2 1 317.477 2.917 20 70 DFIDMP CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000160530507 425985940 /nfs/dbraw/zinc/98/59/40/425985940.db2.gz UYGMGNRDOQZRDF-KRWDZBQOSA-N 2 1 321.509 2.630 20 70 DFIDMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1F ZINC000160688717 425992034 /nfs/dbraw/zinc/99/20/34/425992034.db2.gz WFFJSULRNCERRF-GDBMZVCRSA-N 2 1 324.440 2.722 20 70 DFIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000160670045 425992547 /nfs/dbraw/zinc/99/25/47/425992547.db2.gz WPNJMTXFDBFPMM-WOJBJXKFSA-N 2 1 316.489 2.834 20 70 DFIDMP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000160689571 425992669 /nfs/dbraw/zinc/99/26/69/425992669.db2.gz KVHWBBYWNGAGAV-APWZRJJASA-N 2 1 318.461 2.509 20 70 DFIDMP COc1ccc(COCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000161062620 426008070 /nfs/dbraw/zinc/00/80/70/426008070.db2.gz KYMYCLSTCHUOHQ-NVXWUHKLSA-N 2 1 306.450 2.674 20 70 DFIDMP CC[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC000161180471 426012828 /nfs/dbraw/zinc/01/28/28/426012828.db2.gz ASLFRIZBISKIRY-FUHWJXTLSA-N 2 1 323.525 2.830 20 70 DFIDMP COc1ccc([C@H](CO)[N@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000161357887 426020915 /nfs/dbraw/zinc/02/09/15/426020915.db2.gz UVCVETMPVRFCBA-SFHVURJKSA-N 2 1 306.450 2.536 20 70 DFIDMP COc1ccc([C@H](CO)[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000161357887 426020916 /nfs/dbraw/zinc/02/09/16/426020916.db2.gz UVCVETMPVRFCBA-SFHVURJKSA-N 2 1 306.450 2.536 20 70 DFIDMP c1ccc(NC[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)nc1 ZINC000161368484 426021414 /nfs/dbraw/zinc/02/14/14/426021414.db2.gz HGBMLAUFIIFLLM-KRWDZBQOSA-N 2 1 302.466 2.691 20 70 DFIDMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000159919680 278210142 /nfs/dbraw/zinc/21/01/42/278210142.db2.gz YKXCVOJUKJMIDS-KYHPRHEASA-N 2 1 301.478 2.756 20 70 DFIDMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000159873307 295383193 /nfs/dbraw/zinc/38/31/93/295383193.db2.gz WMFITVLNSJTKQW-ZBFHGGJFSA-N 2 1 303.450 2.998 20 70 DFIDMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000159873307 295383194 /nfs/dbraw/zinc/38/31/94/295383194.db2.gz WMFITVLNSJTKQW-ZBFHGGJFSA-N 2 1 303.450 2.998 20 70 DFIDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160968491 295396707 /nfs/dbraw/zinc/39/67/07/295396707.db2.gz OHDAABJCWFXIJV-HZPDHXFCSA-N 2 1 317.477 2.598 20 70 DFIDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160315123 521499556 /nfs/dbraw/zinc/49/95/56/521499556.db2.gz XXHCYRLBLWXVJH-CQSZACIVSA-N 2 1 322.449 2.573 20 70 DFIDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160315123 521499562 /nfs/dbraw/zinc/49/95/62/521499562.db2.gz XXHCYRLBLWXVJH-CQSZACIVSA-N 2 1 322.449 2.573 20 70 DFIDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160315123 521499566 /nfs/dbraw/zinc/49/95/66/521499566.db2.gz XXHCYRLBLWXVJH-CQSZACIVSA-N 2 1 322.449 2.573 20 70 DFIDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160315123 521499570 /nfs/dbraw/zinc/49/95/70/521499570.db2.gz XXHCYRLBLWXVJH-CQSZACIVSA-N 2 1 322.449 2.573 20 70 DFIDMP CCCC[C@@H](COC)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160474950 425983686 /nfs/dbraw/zinc/98/36/86/425983686.db2.gz GTBBZGBLOMUFTJ-IBGZPJMESA-N 2 1 320.477 2.814 20 70 DFIDMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160065422 425974750 /nfs/dbraw/zinc/97/47/50/425974750.db2.gz FTLWUVPLPBRMJM-UHFFFAOYSA-N 2 1 309.417 2.523 20 70 DFIDMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000160142894 425974895 /nfs/dbraw/zinc/97/48/95/425974895.db2.gz IDFFYRANPPCONS-JENIJYKNSA-N 2 1 318.509 2.612 20 70 DFIDMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000160142894 425974897 /nfs/dbraw/zinc/97/48/97/425974897.db2.gz IDFFYRANPPCONS-JENIJYKNSA-N 2 1 318.509 2.612 20 70 DFIDMP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000161278464 426017173 /nfs/dbraw/zinc/01/71/73/426017173.db2.gz YWDSOEFGZZTRIL-IRXDYDNUSA-N 2 1 323.525 2.865 20 70 DFIDMP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161369091 398975835 /nfs/dbraw/zinc/97/58/35/398975835.db2.gz IXVYVGVYXQJTRV-CQSZACIVSA-N 2 1 312.373 2.873 20 70 DFIDMP CC[NH+](CC)[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)CC(C)C ZINC000161268209 284773715 /nfs/dbraw/zinc/77/37/15/284773715.db2.gz IGHLYUNPYAROQX-DAWZGUTISA-N 2 1 311.514 2.780 20 70 DFIDMP CCOc1ccccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160743493 425994721 /nfs/dbraw/zinc/99/47/21/425994721.db2.gz HPZIWGBLOYHOPK-IAGOWNOFSA-N 2 1 320.477 2.973 20 70 DFIDMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160741750 425994922 /nfs/dbraw/zinc/99/49/22/425994922.db2.gz YXSDLPXEHBWKLD-DOTOQJQBSA-N 2 1 306.450 2.583 20 70 DFIDMP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000160770272 425995568 /nfs/dbraw/zinc/99/55/68/425995568.db2.gz VENZHROBBSBAEP-MNEFBYGVSA-N 2 1 302.462 2.912 20 70 DFIDMP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000160770272 425995570 /nfs/dbraw/zinc/99/55/70/425995570.db2.gz VENZHROBBSBAEP-MNEFBYGVSA-N 2 1 302.462 2.912 20 70 DFIDMP CC[C@@](C)(O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000160857842 425998705 /nfs/dbraw/zinc/99/87/05/425998705.db2.gz MVHHCBJVOFLBMQ-LJQANCHMSA-N 2 1 304.478 2.991 20 70 DFIDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161483879 426027034 /nfs/dbraw/zinc/02/70/34/426027034.db2.gz PXQDDNSAFQSMCD-WWDZGPRUSA-N 2 1 323.525 2.924 20 70 DFIDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161483879 426027037 /nfs/dbraw/zinc/02/70/37/426027037.db2.gz PXQDDNSAFQSMCD-WWDZGPRUSA-N 2 1 323.525 2.924 20 70 DFIDMP CC[C@@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC000161180346 426012694 /nfs/dbraw/zinc/01/26/94/426012694.db2.gz ASLFRIZBISKIRY-WMZOPIPTSA-N 2 1 323.525 2.830 20 70 DFIDMP CC[C@H](COC)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160322879 522260549 /nfs/dbraw/zinc/26/05/49/522260549.db2.gz MWFCSIKDWKFKNE-JTDSTZFVSA-N 2 1 320.477 2.810 20 70 DFIDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161368965 398975639 /nfs/dbraw/zinc/97/56/39/398975639.db2.gz IXVYVGVYXQJTRV-AWEZNQCLSA-N 2 1 312.373 2.873 20 70 DFIDMP C[NH+]1CCC([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000218094604 268139802 /nfs/dbraw/zinc/13/98/02/268139802.db2.gz ZKKMFADOKIAIGW-UHFFFAOYSA-N 2 1 311.470 2.506 20 70 DFIDMP CCCNC(=O)c1cccc(CN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000160585040 425988809 /nfs/dbraw/zinc/98/88/09/425988809.db2.gz JAWOTQAROGZZSE-MAUKXSAKSA-N 2 1 317.477 2.646 20 70 DFIDMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000160585040 425988813 /nfs/dbraw/zinc/98/88/13/425988813.db2.gz JAWOTQAROGZZSE-MAUKXSAKSA-N 2 1 317.477 2.646 20 70 DFIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(OC)c1 ZINC000160680672 425992416 /nfs/dbraw/zinc/99/24/16/425992416.db2.gz QQZWFTIKIUQRGK-MJGOQNOKSA-N 2 1 320.477 2.973 20 70 DFIDMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160702027 425993691 /nfs/dbraw/zinc/99/36/91/425993691.db2.gz CBWAOHHNBRUWBZ-IAGOWNOFSA-N 2 1 320.477 2.891 20 70 DFIDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000160101471 425974326 /nfs/dbraw/zinc/97/43/26/425974326.db2.gz JQBUJBFJGLMUSE-MRXNPFEDSA-N 2 1 319.493 2.984 20 70 DFIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000160101471 425974331 /nfs/dbraw/zinc/97/43/31/425974331.db2.gz JQBUJBFJGLMUSE-MRXNPFEDSA-N 2 1 319.493 2.984 20 70 DFIDMP CCN(CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000159458858 295376825 /nfs/dbraw/zinc/37/68/25/295376825.db2.gz KCJPFXZQVVQVGK-SOUVJXGZSA-N 2 1 313.486 2.562 20 70 DFIDMP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000160228483 295388507 /nfs/dbraw/zinc/38/85/07/295388507.db2.gz IUXNNIPJJBQFKH-CVEARBPZSA-N 2 1 317.477 2.598 20 70 DFIDMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000160416412 295390693 /nfs/dbraw/zinc/39/06/93/295390693.db2.gz VQCIDCFLAMKIPS-DOTOQJQBSA-N 2 1 311.514 2.734 20 70 DFIDMP CC[N@H+]1CC[C@H]([NH2+]CCCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000161071351 295398197 /nfs/dbraw/zinc/39/81/97/295398197.db2.gz IOQJAYNNKZPYBS-APWZRJJASA-N 2 1 320.477 2.922 20 70 DFIDMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160488802 521041577 /nfs/dbraw/zinc/04/15/77/521041577.db2.gz KOCGFNMHBAKTJD-WMZOPIPTSA-N 2 1 316.493 2.748 20 70 DFIDMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160488802 521041583 /nfs/dbraw/zinc/04/15/83/521041583.db2.gz KOCGFNMHBAKTJD-WMZOPIPTSA-N 2 1 316.493 2.748 20 70 DFIDMP CC[N@H+]1CC[C@H]([NH2+]CCN(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000160116609 197387198 /nfs/dbraw/zinc/38/71/98/197387198.db2.gz YMSTYUPICRGILS-QAPCUYQASA-N 2 1 307.457 2.577 20 70 DFIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN(C)Cc1ccc(F)cc1 ZINC000160121600 197386774 /nfs/dbraw/zinc/38/67/74/197386774.db2.gz FWSVAERJFUFAIT-RVKKMQEKSA-N 2 1 307.457 2.576 20 70 DFIDMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806510 197365372 /nfs/dbraw/zinc/36/53/72/197365372.db2.gz QLWADWUUINJXJH-WOCWXWTJSA-N 2 1 315.505 2.752 20 70 DFIDMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000159806510 197365373 /nfs/dbraw/zinc/36/53/73/197365373.db2.gz QLWADWUUINJXJH-WOCWXWTJSA-N 2 1 315.505 2.752 20 70 DFIDMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC2 ZINC000160732288 425994557 /nfs/dbraw/zinc/99/45/57/425994557.db2.gz UPHMDEXOSSRUPH-IEBWSBKVSA-N 2 1 302.462 2.809 20 70 DFIDMP C[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000160863747 425999098 /nfs/dbraw/zinc/99/90/98/425999098.db2.gz VXLXETCUIYUADR-YWTNHNAXSA-N 2 1 303.494 2.825 20 70 DFIDMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000160863747 425999106 /nfs/dbraw/zinc/99/91/06/425999106.db2.gz VXLXETCUIYUADR-YWTNHNAXSA-N 2 1 303.494 2.825 20 70 DFIDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000159789973 425967465 /nfs/dbraw/zinc/96/74/65/425967465.db2.gz YSFBCRQXCGFIOV-GPMSIDNRSA-N 2 1 301.478 2.506 20 70 DFIDMP C[NH+](CC1CCN(C(=O)C(C)(C)C)CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000159796693 425967625 /nfs/dbraw/zinc/96/76/25/425967625.db2.gz NACHQSFBUPOQEG-QGZVFWFLSA-N 2 1 323.525 2.545 20 70 DFIDMP C[NH+](CC1CCN(C(=O)C(C)(C)C)CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000159796693 425967627 /nfs/dbraw/zinc/96/76/27/425967627.db2.gz NACHQSFBUPOQEG-QGZVFWFLSA-N 2 1 323.525 2.545 20 70 DFIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000159790273 425968256 /nfs/dbraw/zinc/96/82/56/425968256.db2.gz YSFBCRQXCGFIOV-MDZRGWNJSA-N 2 1 301.478 2.506 20 70 DFIDMP CC[NH+](CC)[C@H]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000159908414 425970741 /nfs/dbraw/zinc/97/07/41/425970741.db2.gz QYEXDDHOXZGCEN-SFHVURJKSA-N 2 1 307.457 2.674 20 70 DFIDMP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161088403 426007909 /nfs/dbraw/zinc/00/79/09/426007909.db2.gz QJTFGOJTOVTWCP-KRWDZBQOSA-N 2 1 323.525 2.737 20 70 DFIDMP CC(=O)NC1CCC([NH2+]CCC[N@H+](C)Cc2ccccc2)CC1 ZINC000161234347 426015424 /nfs/dbraw/zinc/01/54/24/426015424.db2.gz ZOGLKRGSRJXIJB-UHFFFAOYSA-N 2 1 317.477 2.545 20 70 DFIDMP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000161274845 282070189 /nfs/dbraw/zinc/07/01/89/282070189.db2.gz FTWUYRROIKPLAZ-GASCZTMLSA-N 2 1 311.514 2.624 20 70 DFIDMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1)C(C)C ZINC000160765572 542724291 /nfs/dbraw/zinc/72/42/91/542724291.db2.gz FTVCGEAMQLNNQK-ROUUACIJSA-N 2 1 317.477 2.917 20 70 DFIDMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cn2)CC1 ZINC000160467833 425983717 /nfs/dbraw/zinc/98/37/17/425983717.db2.gz OKWFORDJPVGFRN-AEFFLSMTSA-N 2 1 316.493 2.890 20 70 DFIDMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cn2)CC1 ZINC000160467833 425983719 /nfs/dbraw/zinc/98/37/19/425983719.db2.gz OKWFORDJPVGFRN-AEFFLSMTSA-N 2 1 316.493 2.890 20 70 DFIDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)[C@H](C)C1 ZINC000159560590 425963188 /nfs/dbraw/zinc/96/31/88/425963188.db2.gz OXYWOUFXTWPSHG-OAGGEKHMSA-N 2 1 300.512 2.609 20 70 DFIDMP C[C@H]1C[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@@H+]1C ZINC000160000537 425973334 /nfs/dbraw/zinc/97/33/34/425973334.db2.gz CYJJNKKOMBVYIG-RDJZCZTQSA-N 2 1 323.525 2.686 20 70 DFIDMP C[C@H]1C[C@@H]([NH+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[N@H+]1C ZINC000160000537 425973335 /nfs/dbraw/zinc/97/33/35/425973335.db2.gz CYJJNKKOMBVYIG-RDJZCZTQSA-N 2 1 323.525 2.686 20 70 DFIDMP C[C@H]1C[C@@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1C ZINC000160000537 425973337 /nfs/dbraw/zinc/97/33/37/425973337.db2.gz CYJJNKKOMBVYIG-RDJZCZTQSA-N 2 1 323.525 2.686 20 70 DFIDMP C[C@H]1C[C@@H]([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC[NH+]1C ZINC000160000537 425973340 /nfs/dbraw/zinc/97/33/40/425973340.db2.gz CYJJNKKOMBVYIG-RDJZCZTQSA-N 2 1 323.525 2.686 20 70 DFIDMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000160101599 425974373 /nfs/dbraw/zinc/97/43/73/425974373.db2.gz JQBUJBFJGLMUSE-INIZCTEOSA-N 2 1 319.493 2.984 20 70 DFIDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000160101599 425974375 /nfs/dbraw/zinc/97/43/75/425974375.db2.gz JQBUJBFJGLMUSE-INIZCTEOSA-N 2 1 319.493 2.984 20 70 DFIDMP Cc1nc2ccccn2c1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000160065584 425974414 /nfs/dbraw/zinc/97/44/14/425974414.db2.gz GWSWUNNPKABLBO-UHFFFAOYSA-N 2 1 323.444 2.831 20 70 DFIDMP C[NH+]1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000161425034 426022627 /nfs/dbraw/zinc/02/26/27/426022627.db2.gz MXFVXAYZWFKKOX-INIZCTEOSA-N 2 1 303.406 2.600 20 70 DFIDMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000161344226 426020102 /nfs/dbraw/zinc/02/01/02/426020102.db2.gz KPLMPAHXFPBHPY-LJQANCHMSA-N 2 1 312.461 2.960 20 70 DFIDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000161344226 426020105 /nfs/dbraw/zinc/02/01/05/426020105.db2.gz KPLMPAHXFPBHPY-LJQANCHMSA-N 2 1 312.461 2.960 20 70 DFIDMP CC(=O)NC1CCC([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000161295674 277024510 /nfs/dbraw/zinc/02/45/10/277024510.db2.gz NVNJEIBNMZUQSS-CCZBSFLLSA-N 2 1 323.525 2.781 20 70 DFIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160607002 425990113 /nfs/dbraw/zinc/99/01/13/425990113.db2.gz BENSAZOIPJEOJZ-KGLIPLIRSA-N 2 1 307.507 2.884 20 70 DFIDMP CC[N@H+]1CC[C@@H](NC[C@@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000160860907 425999128 /nfs/dbraw/zinc/99/91/28/425999128.db2.gz AZXZTMMQXRTYOE-ZHALLVOQSA-N 2 1 303.494 2.827 20 70 DFIDMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000160860907 425999136 /nfs/dbraw/zinc/99/91/36/425999136.db2.gz AZXZTMMQXRTYOE-ZHALLVOQSA-N 2 1 303.494 2.827 20 70 DFIDMP CC[NH+](CC)C[C@@H]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000159901321 425970598 /nfs/dbraw/zinc/97/05/98/425970598.db2.gz AJXFFNOEGXDPIT-SFHVURJKSA-N 2 1 321.484 2.921 20 70 DFIDMP OCC[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCc2ccccc21 ZINC000161429644 426024058 /nfs/dbraw/zinc/02/40/58/426024058.db2.gz XVCPMIJLEFAXFR-LJQANCHMSA-N 2 1 302.462 2.844 20 70 DFIDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161442475 426024787 /nfs/dbraw/zinc/02/47/87/426024787.db2.gz YFUPUNPCVHUVEP-GFCCVEGCSA-N 2 1 301.434 2.661 20 70 DFIDMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000161086432 426007592 /nfs/dbraw/zinc/00/75/92/426007592.db2.gz BLKCATVLLWAODY-RLFYNMQTSA-N 2 1 317.477 2.645 20 70 DFIDMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000161086432 426007593 /nfs/dbraw/zinc/00/75/93/426007593.db2.gz BLKCATVLLWAODY-RLFYNMQTSA-N 2 1 317.477 2.645 20 70 DFIDMP CC(=O)NC1CCC([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000161302384 426018736 /nfs/dbraw/zinc/01/87/36/426018736.db2.gz OIKTWWYMEZHBGT-ABHNRTSZSA-N 2 1 309.498 2.534 20 70 DFIDMP CC(=O)NC1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000161341141 277024455 /nfs/dbraw/zinc/02/44/55/277024455.db2.gz NWGCNIZGKCLFBJ-AGERRDQYSA-N 2 1 309.498 2.534 20 70 DFIDMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000160416170 295390821 /nfs/dbraw/zinc/39/08/21/295390821.db2.gz VQCIDCFLAMKIPS-RDJZCZTQSA-N 2 1 311.514 2.734 20 70 DFIDMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160968611 295396958 /nfs/dbraw/zinc/39/69/58/295396958.db2.gz OHDAABJCWFXIJV-JKSUJKDBSA-N 2 1 317.477 2.598 20 70 DFIDMP