smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCOc2cc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC001235063677 769757947 /nfs/dbraw/zinc/75/79/47/769757947.db2.gz PRBHAPJMESLVOQ-QGZVFWFLSA-N 2 2 302.422 0.653 20 10 DCCDLP CN1CCOc2cc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC001235063677 769757958 /nfs/dbraw/zinc/75/79/58/769757958.db2.gz PRBHAPJMESLVOQ-QGZVFWFLSA-N 2 2 302.422 0.653 20 10 DCCDLP O=C(N1CCCc2cc(O)c(O)cc2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160924284 772138555 /nfs/dbraw/zinc/13/85/55/772138555.db2.gz HHBQDCPRPVBLTM-SUMWQHHRSA-N 2 2 317.389 0.324 20 10 DCCDLP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3cccc(F)c3O)C[C@H](C1)O2 ZINC001276538070 944201037 /nfs/dbraw/zinc/20/10/37/944201037.db2.gz RWELWSNGDZFWQX-GASCZTMLSA-N 2 2 323.412 0.978 20 10 DCCDLP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3cccc(F)c3O)C[C@H](C1)O2 ZINC001276538070 944201044 /nfs/dbraw/zinc/20/10/44/944201044.db2.gz RWELWSNGDZFWQX-GASCZTMLSA-N 2 2 323.412 0.978 20 10 DCCDLP COc1cccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1O ZINC000846141480 672297117 /nfs/dbraw/zinc/29/71/17/672297117.db2.gz JTWAHPFJILWHEK-GFCCVEGCSA-N 2 2 307.394 0.825 20 10 DCCDLP COc1cc(O)c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(OC)c1 ZINC001235064702 769757976 /nfs/dbraw/zinc/75/79/76/769757976.db2.gz SYRQOIIORLIEOU-INIZCTEOSA-N 2 2 307.394 0.547 20 10 DCCDLP COc1cc(O)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(OC)c1 ZINC001235064702 769757984 /nfs/dbraw/zinc/75/79/84/769757984.db2.gz SYRQOIIORLIEOU-INIZCTEOSA-N 2 2 307.394 0.547 20 10 DCCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000916739679 665091919 /nfs/dbraw/zinc/09/19/19/665091919.db2.gz GOSPLHZECKSQQU-HOTGVXAUSA-N 2 2 316.449 0.862 20 10 DCCDLP COCC1(O)C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839142432 667734232 /nfs/dbraw/zinc/73/42/32/667734232.db2.gz GGBKSMCYWRMNPP-UHFFFAOYSA-N 2 2 305.422 0.632 20 10 DCCDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000762555388 668366649 /nfs/dbraw/zinc/36/66/49/668366649.db2.gz IDSXTSDMMBMVQV-SFHVURJKSA-N 3 2 318.465 0.595 20 10 DCCDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000762555388 668366652 /nfs/dbraw/zinc/36/66/52/668366652.db2.gz IDSXTSDMMBMVQV-SFHVURJKSA-N 3 2 318.465 0.595 20 10 DCCDLP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001603664436 1169346364 /nfs/dbraw/zinc/34/63/64/1169346364.db2.gz MOLIFJWIONGIKQ-NSHDSACASA-N 2 2 320.397 0.801 20 10 DCCDLP [NH3+]C1(C(=O)N2CCCc3cc(O)c(O)cc3C2)CC[NH2+]CC1 ZINC001160925318 772138303 /nfs/dbraw/zinc/13/83/03/772138303.db2.gz WWLLXSKUVJIQNT-UHFFFAOYSA-N 2 2 305.378 0.454 20 10 DCCDLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001220212572 774735902 /nfs/dbraw/zinc/73/59/02/774735902.db2.gz ORFUDBXZAHWESU-CABZTGNLSA-N 2 2 320.780 0.899 20 10 DCCDLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccccc1O ZINC000281286333 396233960 /nfs/dbraw/zinc/23/39/60/396233960.db2.gz ORFJXSRVZUDMOO-UHFFFAOYSA-N 2 2 321.421 0.615 20 10 DCCDLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccccc1O ZINC000281286333 396233964 /nfs/dbraw/zinc/23/39/64/396233964.db2.gz ORFJXSRVZUDMOO-UHFFFAOYSA-N 2 2 321.421 0.615 20 10 DCCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(CC[NH3+])CC2)cc1 ZINC000904354447 663509905 /nfs/dbraw/zinc/50/99/05/663509905.db2.gz YQDWCAYMOYJSGY-QGZVFWFLSA-N 3 2 305.470 0.765 20 10 DCCDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000843065791 672058388 /nfs/dbraw/zinc/05/83/88/672058388.db2.gz PTTSTWVPJHSCIF-CQSZACIVSA-N 2 2 307.369 0.928 20 10 DCCDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000843065791 672058391 /nfs/dbraw/zinc/05/83/91/672058391.db2.gz PTTSTWVPJHSCIF-CQSZACIVSA-N 2 2 307.369 0.928 20 10 DCCDLP COc1cc(O)c(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c(OC)c1 ZINC001141030962 768562541 /nfs/dbraw/zinc/56/25/41/768562541.db2.gz SJVZRLPSNFVXQH-UHFFFAOYSA-N 2 2 321.421 0.841 20 10 DCCDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)C[C@H]1O ZINC001206470272 773079508 /nfs/dbraw/zinc/07/95/08/773079508.db2.gz VVXGSISBCMCQIQ-XJKSGUPXSA-N 2 2 309.385 0.414 20 10 DCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C[C@H]1O ZINC001206470272 773079513 /nfs/dbraw/zinc/07/95/13/773079513.db2.gz VVXGSISBCMCQIQ-XJKSGUPXSA-N 2 2 309.385 0.414 20 10 DCCDLP CC[N@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320676850 945972215 /nfs/dbraw/zinc/97/22/15/945972215.db2.gz KWUAGJHWERETGJ-UHFFFAOYSA-N 2 2 308.401 0.885 20 10 DCCDLP CC[N@@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320676850 945972221 /nfs/dbraw/zinc/97/22/21/945972221.db2.gz KWUAGJHWERETGJ-UHFFFAOYSA-N 2 2 308.401 0.885 20 10 DCCDLP C[NH2+]CC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000281400756 277264232 /nfs/dbraw/zinc/26/42/32/277264232.db2.gz FKRZPQXOXLDRAN-UHFFFAOYSA-N 2 2 306.410 0.153 20 10 DCCDLP COc1ccc(N2CC[NH+](CCC[NH2+]CCC(N)=O)CC2)cc1 ZINC000818943562 671079294 /nfs/dbraw/zinc/07/92/94/671079294.db2.gz VNFZYWRKTKDLSD-UHFFFAOYSA-N 2 2 320.437 0.672 20 10 DCCDLP COc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)cc(C[NH+](C)C)c1O ZINC001139252918 768463045 /nfs/dbraw/zinc/46/30/45/768463045.db2.gz FINKSGGMBAYLOK-ZDUSSCGKSA-N 2 2 307.394 0.912 20 10 DCCDLP COc1cc(C[N@H+]2CCC[C@H]2C(N)=O)cc(C[NH+](C)C)c1O ZINC001139252918 768463049 /nfs/dbraw/zinc/46/30/49/768463049.db2.gz FINKSGGMBAYLOK-ZDUSSCGKSA-N 2 2 307.394 0.912 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@@H](O)C3)c(F)c2)CC1 ZINC001236937313 770024496 /nfs/dbraw/zinc/02/44/96/770024496.db2.gz YYZNSVLLNCTCMC-INIZCTEOSA-N 2 2 323.412 0.771 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H](O)C3)c(F)c2)CC1 ZINC001236937313 770024510 /nfs/dbraw/zinc/02/45/10/770024510.db2.gz YYZNSVLLNCTCMC-INIZCTEOSA-N 2 2 323.412 0.771 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](O)C3)cc2F)CC1 ZINC001331082947 950887123 /nfs/dbraw/zinc/88/71/23/950887123.db2.gz JDSZNJWCJBJOLL-SJORKVTESA-N 2 2 323.412 0.505 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](O)C3)cc2F)CC1 ZINC001331082947 950887138 /nfs/dbraw/zinc/88/71/38/950887138.db2.gz JDSZNJWCJBJOLL-SJORKVTESA-N 2 2 323.412 0.505 20 10 DCCDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(O)c3O)C2)CC1 ZINC000377048481 530049740 /nfs/dbraw/zinc/04/97/40/530049740.db2.gz SJZVWKDUMPQFKA-GFCCVEGCSA-N 2 2 319.405 0.996 20 10 DCCDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(O)c3O)C2)CC1 ZINC000377048481 530049741 /nfs/dbraw/zinc/04/97/41/530049741.db2.gz SJZVWKDUMPQFKA-GFCCVEGCSA-N 2 2 319.405 0.996 20 10 DCCDLP COc1ccc(O)c(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000846012056 672289540 /nfs/dbraw/zinc/28/95/40/672289540.db2.gz UXELSTJCXPVHBG-UHFFFAOYSA-N 2 2 307.394 0.607 20 10 DCCDLP COc1ccc(O)c(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000846012056 672289543 /nfs/dbraw/zinc/28/95/43/672289543.db2.gz UXELSTJCXPVHBG-UHFFFAOYSA-N 2 2 307.394 0.607 20 10 DCCDLP Cc1ccc(O)c(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001579723556 1165382436 /nfs/dbraw/zinc/38/24/36/1165382436.db2.gz OFSNUPWRCIPTAB-UHFFFAOYSA-N 2 2 306.410 0.923 20 10 DCCDLP COc1cc(C)c(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(O)c1 ZINC001660184124 1173957635 /nfs/dbraw/zinc/95/76/35/1173957635.db2.gz IHJWFVPQAYOXCF-UHFFFAOYSA-N 2 2 321.421 0.915 20 10 DCCDLP COc1cc(C)c(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(O)c1 ZINC001660184124 1173957639 /nfs/dbraw/zinc/95/76/39/1173957639.db2.gz IHJWFVPQAYOXCF-UHFFFAOYSA-N 2 2 321.421 0.915 20 10 DCCDLP COc1ccc(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)c(O)c1 ZINC001336963128 952789356 /nfs/dbraw/zinc/78/93/56/952789356.db2.gz IHXQZOYKBJRSDB-UHFFFAOYSA-N 2 2 322.409 0.623 20 10 DCCDLP C[NH+]1CCN(c2ccc(CN3CC[N@H+](C)C[C@@H]3CO)cc2)CC1 ZINC000877644428 668634944 /nfs/dbraw/zinc/63/49/44/668634944.db2.gz PLJJGTOCOLWVIH-GOSISDBHSA-N 2 2 318.465 0.547 20 10 DCCDLP C[NH+]1CCN(c2ccc(CN3CC[N@@H+](C)C[C@@H]3CO)cc2)CC1 ZINC000877644428 668634949 /nfs/dbraw/zinc/63/49/49/668634949.db2.gz PLJJGTOCOLWVIH-GOSISDBHSA-N 2 2 318.465 0.547 20 10 DCCDLP CN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](CO)C1 ZINC000877644428 668634951 /nfs/dbraw/zinc/63/49/51/668634951.db2.gz PLJJGTOCOLWVIH-GOSISDBHSA-N 2 2 318.465 0.547 20 10 DCCDLP CN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](CO)C1 ZINC000877644428 668634954 /nfs/dbraw/zinc/63/49/54/668634954.db2.gz PLJJGTOCOLWVIH-GOSISDBHSA-N 2 2 318.465 0.547 20 10 DCCDLP COc1cccc(O)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858224728 670981361 /nfs/dbraw/zinc/98/13/61/670981361.db2.gz PWYNYWYRRLNPNI-ZDUSSCGKSA-N 2 2 307.394 0.830 20 10 DCCDLP COc1cccc(O)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858224728 670981366 /nfs/dbraw/zinc/98/13/66/670981366.db2.gz PWYNYWYRRLNPNI-ZDUSSCGKSA-N 2 2 307.394 0.830 20 10 DCCDLP COc1cccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1O ZINC000846141481 672296882 /nfs/dbraw/zinc/29/68/82/672296882.db2.gz JTWAHPFJILWHEK-LBPRGKRZSA-N 2 2 307.394 0.825 20 10 DCCDLP COc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(O)c1OC ZINC000892714803 685433482 /nfs/dbraw/zinc/43/34/82/685433482.db2.gz TURDUSYILMXPII-UHFFFAOYSA-N 2 2 323.393 0.273 20 10 DCCDLP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CC[NH2+]C1 ZINC001235969289 769964804 /nfs/dbraw/zinc/96/48/04/769964804.db2.gz BCFKHFHMYRTLNN-INIZCTEOSA-N 3 2 304.438 0.986 20 10 DCCDLP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CC[NH2+]C1 ZINC001235969289 769964813 /nfs/dbraw/zinc/96/48/13/769964813.db2.gz BCFKHFHMYRTLNN-INIZCTEOSA-N 3 2 304.438 0.986 20 10 DCCDLP Cc1cccc(O)c1C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311166 769993035 /nfs/dbraw/zinc/99/30/35/769993035.db2.gz FZXAQRVRGIDAKK-UHFFFAOYSA-N 3 2 308.426 0.316 20 10 DCCDLP Cc1cccc(O)c1C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236311166 769993039 /nfs/dbraw/zinc/99/30/39/769993039.db2.gz FZXAQRVRGIDAKK-UHFFFAOYSA-N 3 2 308.426 0.316 20 10 DCCDLP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@H]1C[NH2+]CCO1 ZINC001205377399 772989920 /nfs/dbraw/zinc/98/99/20/772989920.db2.gz WQQTUCSTWQVBAQ-MRXNPFEDSA-N 3 2 320.437 0.222 20 10 DCCDLP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@H]1C[NH2+]CCO1 ZINC001205377399 772989923 /nfs/dbraw/zinc/98/99/23/772989923.db2.gz WQQTUCSTWQVBAQ-MRXNPFEDSA-N 3 2 320.437 0.222 20 10 DCCDLP Nc1ccc(CCNC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC001357462277 957291475 /nfs/dbraw/zinc/29/14/75/957291475.db2.gz DZPHACLCJQSVOC-UHFFFAOYSA-N 2 2 305.426 0.534 20 10 DCCDLP Cn1cnnc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001620716693 1171406106 /nfs/dbraw/zinc/40/61/06/1171406106.db2.gz RIEWWQJYLHQHGF-UHFFFAOYSA-N 2 2 318.400 0.996 20 10 DCCDLP Oc1cc2c(cc1C[N@@H+]1CCO[C@@H]3C[NH2+]C[C@@H]3C1)C[NH2+]CCO2 ZINC001234974245 769729725 /nfs/dbraw/zinc/72/97/25/769729725.db2.gz KEKCSTQGDWRHNB-RHSMWYFYSA-N 3 2 319.405 0.294 20 10 DCCDLP Oc1cc2c(cc1C[N@H+]1CCO[C@@H]3C[NH2+]C[C@@H]3C1)C[NH2+]CCO2 ZINC001234974245 769729730 /nfs/dbraw/zinc/72/97/30/769729730.db2.gz KEKCSTQGDWRHNB-RHSMWYFYSA-N 3 2 319.405 0.294 20 10 DCCDLP CN(C)c1ccc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236309889 769993126 /nfs/dbraw/zinc/99/31/26/769993126.db2.gz OZGZDFISCFEYHH-UHFFFAOYSA-N 3 2 321.469 0.368 20 10 DCCDLP CN(C)c1ccc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236309889 769993131 /nfs/dbraw/zinc/99/31/31/769993131.db2.gz OZGZDFISCFEYHH-UHFFFAOYSA-N 3 2 321.469 0.368 20 10 DCCDLP [NH3+]C[C@]1(F)CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236435223 770011475 /nfs/dbraw/zinc/01/14/75/770011475.db2.gz TXQAUSVRDRFPBW-MRXNPFEDSA-N 3 2 308.401 0.675 20 10 DCCDLP [NH3+]C[C@]1(F)CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236435223 770011486 /nfs/dbraw/zinc/01/14/86/770011486.db2.gz TXQAUSVRDRFPBW-MRXNPFEDSA-N 3 2 308.401 0.675 20 10 DCCDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@H]1O ZINC001206464698 773078961 /nfs/dbraw/zinc/07/89/61/773078961.db2.gz SCVLMFIZJQVAGV-JOYOIKCWSA-N 2 2 301.184 0.906 20 10 DCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@H]1O ZINC001206464698 773078967 /nfs/dbraw/zinc/07/89/67/773078967.db2.gz SCVLMFIZJQVAGV-JOYOIKCWSA-N 2 2 301.184 0.906 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](CO)C3)cc2)CC1 ZINC000775689263 668866574 /nfs/dbraw/zinc/86/65/74/668866574.db2.gz BERIXEDBFLUSLR-KRWDZBQOSA-N 2 2 305.422 0.632 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](CO)C3)cc2)CC1 ZINC000775689263 668866575 /nfs/dbraw/zinc/86/65/75/668866575.db2.gz BERIXEDBFLUSLR-KRWDZBQOSA-N 2 2 305.422 0.632 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCNC(=O)CC3)c(F)c2)CC1 ZINC001236932131 770024593 /nfs/dbraw/zinc/02/45/93/770024593.db2.gz OIRSPWWNTCLWEU-UHFFFAOYSA-N 2 2 320.412 0.899 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCNC(=O)CC3)c(F)c2)CC1 ZINC001236932131 770024605 /nfs/dbraw/zinc/02/46/05/770024605.db2.gz OIRSPWWNTCLWEU-UHFFFAOYSA-N 2 2 320.412 0.899 20 10 DCCDLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001157998823 771709225 /nfs/dbraw/zinc/70/92/25/771709225.db2.gz IGGZDBNYCPDREX-OLZOCXBDSA-N 2 2 321.377 0.146 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222340282 775330084 /nfs/dbraw/zinc/33/00/84/775330084.db2.gz LKGVYGUAOKNIAC-UHFFFAOYSA-N 3 2 316.449 0.987 20 10 DCCDLP C[C@@H]1CNC(=O)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139412336 768472425 /nfs/dbraw/zinc/47/24/25/768472425.db2.gz GUHKESRDLZXVLP-CQSZACIVSA-N 2 2 302.422 0.759 20 10 DCCDLP C[C@@H]1CNC(=O)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139412336 768472428 /nfs/dbraw/zinc/47/24/28/768472428.db2.gz GUHKESRDLZXVLP-CQSZACIVSA-N 2 2 302.422 0.759 20 10 DCCDLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCCc2cc(O)c(O)cc2C1 ZINC001160925388 772138402 /nfs/dbraw/zinc/13/84/02/772138402.db2.gz ZQYJXDZFHUBGKU-FPMFFAJLSA-N 2 2 317.389 0.323 20 10 DCCDLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(O)c(O)c2)CCC1=O ZINC001203878578 772928179 /nfs/dbraw/zinc/92/81/79/772928179.db2.gz DADLZQVYGJHLOW-UHFFFAOYSA-N 2 2 307.394 0.694 20 10 DCCDLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(O)c(O)c2)CCC1=O ZINC001203878578 772928182 /nfs/dbraw/zinc/92/81/82/772928182.db2.gz DADLZQVYGJHLOW-UHFFFAOYSA-N 2 2 307.394 0.694 20 10 DCCDLP COc1ccc(N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)c(OC)c1 ZINC000923413077 667529898 /nfs/dbraw/zinc/52/98/98/667529898.db2.gz CWZOHZHZCCXCRR-RCBQFDQVSA-N 2 2 321.421 0.676 20 10 DCCDLP C[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@H](C[NH3+])C1 ZINC000843120483 672063974 /nfs/dbraw/zinc/06/39/74/672063974.db2.gz MXMBROZTFKLGIR-QGZVFWFLSA-N 2 2 304.438 0.598 20 10 DCCDLP C[N@H+]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@H](C[NH3+])C1 ZINC000843120483 672063978 /nfs/dbraw/zinc/06/39/78/672063978.db2.gz MXMBROZTFKLGIR-QGZVFWFLSA-N 2 2 304.438 0.598 20 10 DCCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H](O)C[NH3+] ZINC001117954535 766175922 /nfs/dbraw/zinc/17/59/22/766175922.db2.gz BUVRVFMQZCFNDU-AWEZNQCLSA-N 3 2 310.417 0.329 20 10 DCCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H](O)C[NH3+] ZINC001117954535 766175925 /nfs/dbraw/zinc/17/59/25/766175925.db2.gz BUVRVFMQZCFNDU-AWEZNQCLSA-N 3 2 310.417 0.329 20 10 DCCDLP COc1ccc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c(O)c1 ZINC001236309911 769993278 /nfs/dbraw/zinc/99/32/78/769993278.db2.gz PLTHBVRJKKRERH-UHFFFAOYSA-N 3 2 324.425 0.017 20 10 DCCDLP COc1ccc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c(O)c1 ZINC001236309911 769993284 /nfs/dbraw/zinc/99/32/84/769993284.db2.gz PLTHBVRJKKRERH-UHFFFAOYSA-N 3 2 324.425 0.017 20 10 DCCDLP C[NH+](C)CCN1CCC12C[NH+](Cc1cc(O)c(O)cc1O)C2 ZINC001276516763 944196383 /nfs/dbraw/zinc/19/63/83/944196383.db2.gz PGTWFFZPIJKCOV-UHFFFAOYSA-N 2 2 307.394 0.625 20 10 DCCDLP COc1cc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)cc(O)c1O ZINC001275962885 952565401 /nfs/dbraw/zinc/56/54/01/952565401.db2.gz MLHFBDWVMPQYIM-UHFFFAOYSA-N 2 2 321.421 0.786 20 10 DCCDLP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]([NH3+])C(F)F)cc1 ZINC000911667975 664097105 /nfs/dbraw/zinc/09/71/05/664097105.db2.gz VVGQBJGABZENNF-NEPJUHHUSA-N 2 2 300.353 0.851 20 10 DCCDLP [NH3+][C@]1(CO)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000923473205 667542464 /nfs/dbraw/zinc/54/24/64/667542464.db2.gz KRMHBOGVUZVPPF-QGZVFWFLSA-N 2 2 305.422 0.809 20 10 DCCDLP [NH3+][C@]1(CO)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000923473205 667542466 /nfs/dbraw/zinc/54/24/66/667542466.db2.gz KRMHBOGVUZVPPF-QGZVFWFLSA-N 2 2 305.422 0.809 20 10 DCCDLP Cc1ccc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c(O)c1 ZINC001236310593 769993428 /nfs/dbraw/zinc/99/34/28/769993428.db2.gz IGRZHHFYKJWAMS-UHFFFAOYSA-N 3 2 308.426 0.316 20 10 DCCDLP Cc1ccc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c(O)c1 ZINC001236310593 769993435 /nfs/dbraw/zinc/99/34/35/769993435.db2.gz IGRZHHFYKJWAMS-UHFFFAOYSA-N 3 2 308.426 0.316 20 10 DCCDLP [NH3+]C[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC001206518656 773083263 /nfs/dbraw/zinc/08/32/63/773083263.db2.gz CUUPAMCTSSSEDU-UFBFGSQYSA-N 2 2 301.184 0.906 20 10 DCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@@H]1O ZINC001206518656 773083266 /nfs/dbraw/zinc/08/32/66/773083266.db2.gz CUUPAMCTSSSEDU-UFBFGSQYSA-N 2 2 301.184 0.906 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c(F)c2)CC1 ZINC001206536122 773085933 /nfs/dbraw/zinc/08/59/33/773085933.db2.gz ZYMBCMGPTDVXLX-YOEHRIQHSA-N 3 2 322.428 0.329 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c(F)c2)CC1 ZINC001206536122 773085936 /nfs/dbraw/zinc/08/59/36/773085936.db2.gz ZYMBCMGPTDVXLX-YOEHRIQHSA-N 3 2 322.428 0.329 20 10 DCCDLP COc1cccc(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)c1O ZINC001262592536 947735795 /nfs/dbraw/zinc/73/57/95/947735795.db2.gz UNPUHYSHRACAKM-UHFFFAOYSA-N 2 2 322.409 0.623 20 10 DCCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000843065143 672057772 /nfs/dbraw/zinc/05/77/72/672057772.db2.gz JMCWRWPUGOZGHL-AWEZNQCLSA-N 2 2 319.405 0.797 20 10 DCCDLP COc1ccc(O)c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000843065143 672057773 /nfs/dbraw/zinc/05/77/73/672057773.db2.gz JMCWRWPUGOZGHL-AWEZNQCLSA-N 2 2 319.405 0.797 20 10 DCCDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144508622 766958996 /nfs/dbraw/zinc/95/89/96/766958996.db2.gz SIISXPVKDJLUBR-MEDUHNTESA-N 2 2 308.378 0.956 20 10 DCCDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144508622 766959000 /nfs/dbraw/zinc/95/90/00/766959000.db2.gz SIISXPVKDJLUBR-MEDUHNTESA-N 2 2 308.378 0.956 20 10 DCCDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144508622 766959006 /nfs/dbraw/zinc/95/90/06/766959006.db2.gz SIISXPVKDJLUBR-MEDUHNTESA-N 2 2 308.378 0.956 20 10 DCCDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144508622 766959009 /nfs/dbraw/zinc/95/90/09/766959009.db2.gz SIISXPVKDJLUBR-MEDUHNTESA-N 2 2 308.378 0.956 20 10 DCCDLP Cc1c(O)ccc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1O ZINC001236310628 769993011 /nfs/dbraw/zinc/99/30/11/769993011.db2.gz KORVOMAAHUVUDX-UHFFFAOYSA-N 3 2 324.425 0.022 20 10 DCCDLP Cc1c(O)ccc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1O ZINC001236310628 769993019 /nfs/dbraw/zinc/99/30/19/769993019.db2.gz KORVOMAAHUVUDX-UHFFFAOYSA-N 3 2 324.425 0.022 20 10 DCCDLP O=C(N1CCCc2cc(O)c(O)cc2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160924282 772138465 /nfs/dbraw/zinc/13/84/65/772138465.db2.gz HHBQDCPRPVBLTM-DYVFJYSZSA-N 2 2 317.389 0.324 20 10 DCCDLP COc1c(O)c(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000278873802 396140412 /nfs/dbraw/zinc/14/04/12/396140412.db2.gz NEJYIAKHDAQYTJ-LBPRGKRZSA-N 2 2 324.381 0.644 20 10 DCCDLP COc1c(O)c(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000278873802 396140413 /nfs/dbraw/zinc/14/04/13/396140413.db2.gz NEJYIAKHDAQYTJ-LBPRGKRZSA-N 2 2 324.381 0.644 20 10 DCCDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771858996 668757948 /nfs/dbraw/zinc/75/79/48/668757948.db2.gz KHFAWYUOFWKOQT-GOSISDBHSA-N 3 2 320.481 0.841 20 10 DCCDLP COc1cc(C)cc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000844713455 672196408 /nfs/dbraw/zinc/19/64/08/672196408.db2.gz CHIZMRSDFWHMDB-UHFFFAOYSA-N 2 2 321.421 0.915 20 10 DCCDLP COc1cc(C)cc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000844713455 672196411 /nfs/dbraw/zinc/19/64/11/672196411.db2.gz CHIZMRSDFWHMDB-UHFFFAOYSA-N 2 2 321.421 0.915 20 10 DCCDLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000237083033 282050810 /nfs/dbraw/zinc/05/08/10/282050810.db2.gz DAJVIMLHYLFHBV-UHFFFAOYSA-N 2 2 304.438 0.954 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235064171 769757293 /nfs/dbraw/zinc/75/72/93/769757293.db2.gz HCNMWTBRONOXGG-QGZVFWFLSA-N 3 2 302.422 0.740 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001235064171 769757302 /nfs/dbraw/zinc/75/73/02/769757302.db2.gz HCNMWTBRONOXGG-QGZVFWFLSA-N 3 2 302.422 0.740 20 10 DCCDLP COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206469057 773079711 /nfs/dbraw/zinc/07/97/11/773079711.db2.gz NPHYZOWPKKYFST-UONOGXRCSA-N 3 2 309.410 0.214 20 10 DCCDLP COc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206469057 773079713 /nfs/dbraw/zinc/07/97/13/773079713.db2.gz NPHYZOWPKKYFST-UONOGXRCSA-N 3 2 309.410 0.214 20 10 DCCDLP COc1cc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)cc1O ZINC001222506738 775371855 /nfs/dbraw/zinc/37/18/55/775371855.db2.gz CXWOGIWJZXWFSJ-STQMWFEESA-N 2 2 307.394 0.632 20 10 DCCDLP COc1cc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)cc1O ZINC001222506738 775371865 /nfs/dbraw/zinc/37/18/65/775371865.db2.gz CXWOGIWJZXWFSJ-STQMWFEESA-N 2 2 307.394 0.632 20 10 DCCDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000850834193 670946408 /nfs/dbraw/zinc/94/64/08/670946408.db2.gz CXUIBTMIYXNTJT-UHFFFAOYSA-N 2 2 321.425 0.207 20 10 DCCDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000850834193 670946410 /nfs/dbraw/zinc/94/64/10/670946410.db2.gz CXUIBTMIYXNTJT-UHFFFAOYSA-N 2 2 321.425 0.207 20 10 DCCDLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944365 670956018 /nfs/dbraw/zinc/95/60/18/670956018.db2.gz ZXBWKEQRXFIZLM-ARFHVFGLSA-N 2 2 320.437 0.636 20 10 DCCDLP COc1cc(O)c(C[NH+]2CC(N3CC[NH+](C)CC3)C2)cc1OC ZINC001236753046 770018403 /nfs/dbraw/zinc/01/84/03/770018403.db2.gz GFFAIFGJRFBWGC-UHFFFAOYSA-N 2 2 321.421 0.841 20 10 DCCDLP COc1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)cc(O)c1O ZINC001204346352 772946278 /nfs/dbraw/zinc/94/62/78/772946278.db2.gz NIYHKMUWURCYHD-UHFFFAOYSA-N 2 2 309.410 0.786 20 10 DCCDLP COc1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc(O)c1O ZINC001204346352 772946280 /nfs/dbraw/zinc/94/62/80/772946280.db2.gz NIYHKMUWURCYHD-UHFFFAOYSA-N 2 2 309.410 0.786 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c(F)c2)CC1 ZINC001206481723 773080752 /nfs/dbraw/zinc/08/07/52/773080752.db2.gz ZYMBCMGPTDVXLX-WMLDXEAASA-N 3 2 322.428 0.329 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c(F)c2)CC1 ZINC001206481723 773080754 /nfs/dbraw/zinc/08/07/54/773080754.db2.gz ZYMBCMGPTDVXLX-WMLDXEAASA-N 3 2 322.428 0.329 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[NH2+]C3(C(N)=O)CC3)cc2F)CC1 ZINC001321076006 946155402 /nfs/dbraw/zinc/15/54/02/946155402.db2.gz QWAYWEHPSWDCOZ-UHFFFAOYSA-N 2 2 306.385 0.685 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(CCO)CC3)cc2)CC1 ZINC000775634402 668866088 /nfs/dbraw/zinc/86/60/88/668866088.db2.gz SGHSSMMVVTYWTK-UHFFFAOYSA-N 2 2 318.465 0.548 20 10 DCCDLP C[N@@H+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C[NH3+])C1 ZINC000843120235 672064015 /nfs/dbraw/zinc/06/40/15/672064015.db2.gz ANSIEKLWZAHIAQ-OAHLLOKOSA-N 2 2 322.428 0.737 20 10 DCCDLP C[N@H+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C[NH3+])C1 ZINC000843120235 672064018 /nfs/dbraw/zinc/06/40/18/672064018.db2.gz ANSIEKLWZAHIAQ-OAHLLOKOSA-N 2 2 322.428 0.737 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)cc2F)CC1 ZINC001578537153 1165051018 /nfs/dbraw/zinc/05/10/18/1165051018.db2.gz PEDNJKVAEWAZCU-WMLDXEAASA-N 3 2 322.428 0.247 20 10 DCCDLP CN1CCN(c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)cc2F)CC1 ZINC001578537153 1165051024 /nfs/dbraw/zinc/05/10/24/1165051024.db2.gz PEDNJKVAEWAZCU-WMLDXEAASA-N 2 2 322.428 0.247 20 10 DCCDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160871951 772129978 /nfs/dbraw/zinc/12/99/78/772129978.db2.gz BYRLMSIETWJETQ-AWEZNQCLSA-N 2 2 300.362 0.580 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000841099424 671912174 /nfs/dbraw/zinc/91/21/74/671912174.db2.gz PSFUTIUMKQZPAH-QGZVFWFLSA-N 3 2 304.438 0.516 20 10 DCCDLP Fc1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)ccc1N1CCOCC1 ZINC000841099409 671912419 /nfs/dbraw/zinc/91/24/19/671912419.db2.gz PDATXDCUHFNWPW-AWEZNQCLSA-N 2 2 309.385 0.740 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235020198 769743285 /nfs/dbraw/zinc/74/32/85/769743285.db2.gz FHROYKPDNPDKJL-WMLDXEAASA-N 3 2 316.449 0.986 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235020198 769743299 /nfs/dbraw/zinc/74/32/99/769743299.db2.gz FHROYKPDNPDKJL-WMLDXEAASA-N 3 2 316.449 0.986 20 10 DCCDLP COc1cc(N(C)C)ccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235066016 769756582 /nfs/dbraw/zinc/75/65/82/769756582.db2.gz ZXWDDQNKOHQEME-QGZVFWFLSA-N 2 2 304.438 0.899 20 10 DCCDLP COc1cc(N(C)C)ccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235066016 769756592 /nfs/dbraw/zinc/75/65/92/769756592.db2.gz ZXWDDQNKOHQEME-QGZVFWFLSA-N 2 2 304.438 0.899 20 10 DCCDLP COc1cccc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1O ZINC001236307943 769991242 /nfs/dbraw/zinc/99/12/42/769991242.db2.gz FNSAFZRITANJCW-UHFFFAOYSA-N 3 2 324.425 0.017 20 10 DCCDLP COc1cccc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1O ZINC001236307943 769991246 /nfs/dbraw/zinc/99/12/46/769991246.db2.gz FNSAFZRITANJCW-UHFFFAOYSA-N 3 2 324.425 0.017 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCNC(=O)CC3)cc2F)CC1 ZINC001254010907 946220216 /nfs/dbraw/zinc/22/02/16/946220216.db2.gz PZJDUIYRUKYMJJ-UHFFFAOYSA-N 2 2 320.412 0.899 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCNC(=O)CC3)cc2F)CC1 ZINC001254010907 946220226 /nfs/dbraw/zinc/22/02/26/946220226.db2.gz PZJDUIYRUKYMJJ-UHFFFAOYSA-N 2 2 320.412 0.899 20 10 DCCDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(O)c3O)C2)CC1 ZINC000377048482 530049920 /nfs/dbraw/zinc/04/99/20/530049920.db2.gz SJZVWKDUMPQFKA-LBPRGKRZSA-N 2 2 319.405 0.996 20 10 DCCDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(O)c3O)C2)CC1 ZINC000377048482 530049921 /nfs/dbraw/zinc/04/99/21/530049921.db2.gz SJZVWKDUMPQFKA-LBPRGKRZSA-N 2 2 319.405 0.996 20 10 DCCDLP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC(=O)N1 ZINC000824908946 671443452 /nfs/dbraw/zinc/44/34/52/671443452.db2.gz FZMWCXJMBGJLSP-CQSZACIVSA-N 2 2 302.422 0.759 20 10 DCCDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC(=O)N1 ZINC000824908946 671443453 /nfs/dbraw/zinc/44/34/53/671443453.db2.gz FZMWCXJMBGJLSP-CQSZACIVSA-N 2 2 302.422 0.759 20 10 DCCDLP COc1cc(O)c(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1OC ZINC001222510891 775371990 /nfs/dbraw/zinc/37/19/90/775371990.db2.gz JGVJJPIUPJCUAT-KBPBESRZSA-N 2 2 321.421 0.935 20 10 DCCDLP COc1cc(O)c(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1OC ZINC001222510891 775372000 /nfs/dbraw/zinc/37/20/00/775372000.db2.gz JGVJJPIUPJCUAT-KBPBESRZSA-N 2 2 321.421 0.935 20 10 DCCDLP C[N@@H+]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C[NH3+])C1 ZINC000843120482 672064345 /nfs/dbraw/zinc/06/43/45/672064345.db2.gz MXMBROZTFKLGIR-KRWDZBQOSA-N 2 2 304.438 0.598 20 10 DCCDLP C[N@H+]1CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C[NH3+])C1 ZINC000843120482 672064347 /nfs/dbraw/zinc/06/43/47/672064347.db2.gz MXMBROZTFKLGIR-KRWDZBQOSA-N 2 2 304.438 0.598 20 10 DCCDLP COc1ccc(N2CC[NH+](CC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000319871683 1190436082 /nfs/dbraw/zinc/43/60/82/1190436082.db2.gz TYQKSDRHJVOOMC-UHFFFAOYSA-N 2 2 318.421 0.249 20 10 DCCDLP COc1ccc(O)c(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236309503 769991312 /nfs/dbraw/zinc/99/13/12/769991312.db2.gz LZCXDGMDJALMKJ-UHFFFAOYSA-N 3 2 324.425 0.017 20 10 DCCDLP COc1ccc(O)c(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236309503 769991321 /nfs/dbraw/zinc/99/13/21/769991321.db2.gz LZCXDGMDJALMKJ-UHFFFAOYSA-N 3 2 324.425 0.017 20 10 DCCDLP [NH3+]C[C@@]1(F)CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236435204 770011262 /nfs/dbraw/zinc/01/12/62/770011262.db2.gz TXQAUSVRDRFPBW-INIZCTEOSA-N 3 2 308.401 0.675 20 10 DCCDLP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236435204 770011271 /nfs/dbraw/zinc/01/12/71/770011271.db2.gz TXQAUSVRDRFPBW-INIZCTEOSA-N 3 2 308.401 0.675 20 10 DCCDLP COc1ccc(N2CC[NH+](CCNC(=O)C3([NH3+])CC3)CC2)cc1 ZINC000269287019 396403689 /nfs/dbraw/zinc/40/36/89/396403689.db2.gz IYCDGKWLYUAHDZ-UHFFFAOYSA-N 2 2 318.421 0.425 20 10 DCCDLP CN(C)c1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000780895794 669016642 /nfs/dbraw/zinc/01/66/42/669016642.db2.gz GEMGTSLTYBJIHT-UHFFFAOYSA-N 2 2 304.438 0.958 20 10 DCCDLP CN(C)c1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000780895794 669016648 /nfs/dbraw/zinc/01/66/48/669016648.db2.gz GEMGTSLTYBJIHT-UHFFFAOYSA-N 2 2 304.438 0.958 20 10 DCCDLP CCOc1ccc(O)c(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000846011143 672289266 /nfs/dbraw/zinc/28/92/66/672289266.db2.gz MIAMEAOTSKCDJG-UHFFFAOYSA-N 2 2 321.421 0.997 20 10 DCCDLP CCOc1ccc(O)c(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000846011143 672289269 /nfs/dbraw/zinc/28/92/69/672289269.db2.gz MIAMEAOTSKCDJG-UHFFFAOYSA-N 2 2 321.421 0.997 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235218764 769784439 /nfs/dbraw/zinc/78/44/39/769784439.db2.gz LAGNSPHDLXCDAC-PBHICJAKSA-N 3 2 316.449 0.986 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235218764 769784443 /nfs/dbraw/zinc/78/44/43/769784443.db2.gz LAGNSPHDLXCDAC-PBHICJAKSA-N 3 2 316.449 0.986 20 10 DCCDLP Oc1cc(F)cc(F)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870544 769954469 /nfs/dbraw/zinc/95/44/69/769954469.db2.gz ODKPKZWQQZWBTE-UHFFFAOYSA-N 2 2 314.380 0.255 20 10 DCCDLP Cc1cc(C)c(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c(O)c1 ZINC001236312291 769994752 /nfs/dbraw/zinc/99/47/52/769994752.db2.gz PLENBKKYWPHVAJ-UHFFFAOYSA-N 3 2 322.453 0.625 20 10 DCCDLP Cc1cc(C)c(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c(O)c1 ZINC001236312291 769994758 /nfs/dbraw/zinc/99/47/58/769994758.db2.gz PLENBKKYWPHVAJ-UHFFFAOYSA-N 3 2 322.453 0.625 20 10 DCCDLP COc1ccc(N2CC[NH+](CCNC(=O)C[NH+](C)C)CC2)cc1 ZINC000263911784 396241737 /nfs/dbraw/zinc/24/17/37/396241737.db2.gz VRMOQLUOINNLKB-UHFFFAOYSA-N 2 2 320.437 0.495 20 10 DCCDLP Cc1cc(N(C)C)ccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000840933149 671906868 /nfs/dbraw/zinc/90/68/68/671906868.db2.gz MFCGEUARNQJTMA-UHFFFAOYSA-N 2 2 304.438 0.925 20 10 DCCDLP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(-c2nn[nH]n2)c1O ZINC001603664435 1169345986 /nfs/dbraw/zinc/34/59/86/1169345986.db2.gz MOLIFJWIONGIKQ-LLVKDONJSA-N 2 2 320.397 0.801 20 10 DCCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H](O)C[NH3+] ZINC001117954538 766175814 /nfs/dbraw/zinc/17/58/14/766175814.db2.gz BUVRVFMQZCFNDU-CQSZACIVSA-N 3 2 310.417 0.329 20 10 DCCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H](O)C[NH3+] ZINC001117954538 766175821 /nfs/dbraw/zinc/17/58/21/766175821.db2.gz BUVRVFMQZCFNDU-CQSZACIVSA-N 3 2 310.417 0.329 20 10 DCCDLP COc1cc(O)c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1OC ZINC001235063592 769755468 /nfs/dbraw/zinc/75/54/68/769755468.db2.gz UDFIZHTYMFPQRZ-INIZCTEOSA-N 2 2 307.394 0.547 20 10 DCCDLP COc1cc(O)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1OC ZINC001235063592 769755478 /nfs/dbraw/zinc/75/54/78/769755478.db2.gz UDFIZHTYMFPQRZ-INIZCTEOSA-N 2 2 307.394 0.547 20 10 DCCDLP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3c(O)cccc3F)C[C@H](C1)O2 ZINC001276358793 942100263 /nfs/dbraw/zinc/10/02/63/942100263.db2.gz AZXCNRIYVMWMCL-OKILXGFUSA-N 2 2 323.412 0.978 20 10 DCCDLP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3c(O)cccc3F)C[C@H](C1)O2 ZINC001276358793 942100268 /nfs/dbraw/zinc/10/02/68/942100268.db2.gz AZXCNRIYVMWMCL-OKILXGFUSA-N 2 2 323.412 0.978 20 10 DCCDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(O)c(O)cc1O ZINC001276516782 944196227 /nfs/dbraw/zinc/19/62/27/944196227.db2.gz PVBYJESENXPSEG-BETUJISGSA-N 2 2 307.394 0.624 20 10 DCCDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(O)c(O)cc1O ZINC001276516782 944196232 /nfs/dbraw/zinc/19/62/32/944196232.db2.gz PVBYJESENXPSEG-BETUJISGSA-N 2 2 307.394 0.624 20 10 DCCDLP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H](C1)O2 ZINC001275912890 952518993 /nfs/dbraw/zinc/51/89/93/952518993.db2.gz GTQWENRMGJUBPV-IYBDPMFKSA-N 2 2 323.412 0.978 20 10 DCCDLP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H](C1)O2 ZINC001275912890 952518997 /nfs/dbraw/zinc/51/89/97/952518997.db2.gz GTQWENRMGJUBPV-IYBDPMFKSA-N 2 2 323.412 0.978 20 10 DCCDLP C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775666510 668866332 /nfs/dbraw/zinc/86/63/32/668866332.db2.gz ZODBRQINMCHDEX-CQSZACIVSA-N 2 2 302.422 0.759 20 10 DCCDLP C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775666510 668866333 /nfs/dbraw/zinc/86/63/33/668866333.db2.gz ZODBRQINMCHDEX-CQSZACIVSA-N 2 2 302.422 0.759 20 10 DCCDLP CN1CCOc2cc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc21 ZINC001235063676 769757073 /nfs/dbraw/zinc/75/70/73/769757073.db2.gz PRBHAPJMESLVOQ-KRWDZBQOSA-N 2 2 302.422 0.653 20 10 DCCDLP CN1CCOc2cc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc21 ZINC001235063676 769757081 /nfs/dbraw/zinc/75/70/81/769757081.db2.gz PRBHAPJMESLVOQ-KRWDZBQOSA-N 2 2 302.422 0.653 20 10 DCCDLP O=C(N1CCCc2cc(O)c(O)cc2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160924281 772138684 /nfs/dbraw/zinc/13/86/84/772138684.db2.gz HHBQDCPRPVBLTM-CXAGYDPISA-N 2 2 317.389 0.324 20 10 DCCDLP COc1cc(O)c(C[NH+]2CCC([NH2+]CCO)CC2)cc1OC ZINC000873217640 668066755 /nfs/dbraw/zinc/06/67/55/668066755.db2.gz NATWURIGXJGSJF-UHFFFAOYSA-N 2 2 310.394 0.956 20 10 DCCDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1F ZINC001205896146 773031798 /nfs/dbraw/zinc/03/17/98/773031798.db2.gz XLOOIWODJUNYKH-HUUCEWRRSA-N 3 2 308.401 0.673 20 10 DCCDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1F ZINC001205896146 773031802 /nfs/dbraw/zinc/03/18/02/773031802.db2.gz XLOOIWODJUNYKH-HUUCEWRRSA-N 3 2 308.401 0.673 20 10 DCCDLP Cn1nncc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323453210 947089350 /nfs/dbraw/zinc/08/93/50/947089350.db2.gz GHCQZILGTIHIAQ-UHFFFAOYSA-N 2 2 318.400 0.996 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2F)CC1 ZINC001326075753 948043226 /nfs/dbraw/zinc/04/32/26/948043226.db2.gz SDJHWSQYUFJEML-HALDLXJZSA-N 3 2 304.413 0.885 20 10 DCCDLP Cn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)nn1 ZINC001349534947 954789870 /nfs/dbraw/zinc/78/98/70/954789870.db2.gz XAQDQCVMKYJWAK-UHFFFAOYSA-N 2 2 318.400 0.996 20 10 DCCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000762788715 668377845 /nfs/dbraw/zinc/37/78/45/668377845.db2.gz QBPDYGQSWCVVFT-BDJLRTHQSA-N 2 2 308.378 0.896 20 10 DCCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000762788719 668377901 /nfs/dbraw/zinc/37/79/01/668377901.db2.gz QBPDYGQSWCVVFT-MEDUHNTESA-N 2 2 308.378 0.896 20 10 DCCDLP [NH3+]C1CC[NH+](CCNC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001353467606 956071147 /nfs/dbraw/zinc/07/11/47/956071147.db2.gz OQNUXDHEGMKNCR-UHFFFAOYSA-N 2 2 304.394 0.841 20 10 DCCDLP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]([NH3+])C(F)F)cc1 ZINC000911667977 664097159 /nfs/dbraw/zinc/09/71/59/664097159.db2.gz VVGQBJGABZENNF-RYUDHWBXSA-N 2 2 300.353 0.851 20 10 DCCDLP C[NH2+][C@@H](C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000848414660 670679889 /nfs/dbraw/zinc/67/98/89/670679889.db2.gz AZKGDZVFBAVVIV-AWEZNQCLSA-N 2 2 320.437 0.541 20 10 DCCDLP CCc1ccc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c(O)c1 ZINC001236312193 769994904 /nfs/dbraw/zinc/99/49/04/769994904.db2.gz PPHOGCSTQFEVGV-UHFFFAOYSA-N 3 2 322.453 0.570 20 10 DCCDLP CCc1ccc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c(O)c1 ZINC001236312193 769994912 /nfs/dbraw/zinc/99/49/12/769994912.db2.gz PPHOGCSTQFEVGV-UHFFFAOYSA-N 3 2 322.453 0.570 20 10 DCCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(CC[NH3+])CC2)cc1 ZINC000904354446 663509830 /nfs/dbraw/zinc/50/98/30/663509830.db2.gz YQDWCAYMOYJSGY-KRWDZBQOSA-N 3 2 305.470 0.765 20 10 DCCDLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944368 670956054 /nfs/dbraw/zinc/95/60/54/670956054.db2.gz ZXBWKEQRXFIZLM-OWCLPIDISA-N 2 2 320.437 0.636 20 10 DCCDLP COc1cccc(O)c1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843065039 672057641 /nfs/dbraw/zinc/05/76/41/672057641.db2.gz IIOILGQEQHFPTM-CYBMUJFWSA-N 2 2 319.405 0.797 20 10 DCCDLP COc1cccc(O)c1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843065039 672057643 /nfs/dbraw/zinc/05/76/43/672057643.db2.gz IIOILGQEQHFPTM-CYBMUJFWSA-N 2 2 319.405 0.797 20 10 DCCDLP CN(C)c1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000844381475 672178856 /nfs/dbraw/zinc/17/88/56/672178856.db2.gz MWRPIAJQWVLMDU-UHFFFAOYSA-N 2 2 304.438 0.958 20 10 DCCDLP CN(C)c1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000844381475 672178858 /nfs/dbraw/zinc/17/88/58/672178858.db2.gz MWRPIAJQWVLMDU-UHFFFAOYSA-N 2 2 304.438 0.958 20 10 DCCDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881699 772928134 /nfs/dbraw/zinc/92/81/34/772928134.db2.gz SUKVZRIAGDYLPJ-CYBMUJFWSA-N 2 2 307.394 0.740 20 10 DCCDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881699 772928139 /nfs/dbraw/zinc/92/81/39/772928139.db2.gz SUKVZRIAGDYLPJ-CYBMUJFWSA-N 2 2 307.394 0.740 20 10 DCCDLP Cc1cc(C)c(CNC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)c(O)c1 ZINC001220825629 774926487 /nfs/dbraw/zinc/92/64/87/774926487.db2.gz OVIHQDBILPINST-HNNXBMFYSA-N 2 2 320.437 0.376 20 10 DCCDLP CC(=O)NC1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839100818 667731165 /nfs/dbraw/zinc/73/11/65/667731165.db2.gz BNRYRCUPMHRZRU-UHFFFAOYSA-N 2 2 302.422 0.759 20 10 DCCDLP C[N@@H+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C[NH3+])C1 ZINC000843120234 672064220 /nfs/dbraw/zinc/06/42/20/672064220.db2.gz ANSIEKLWZAHIAQ-HNNXBMFYSA-N 2 2 322.428 0.737 20 10 DCCDLP C[N@H+]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C[NH3+])C1 ZINC000843120234 672064221 /nfs/dbraw/zinc/06/42/21/672064221.db2.gz ANSIEKLWZAHIAQ-HNNXBMFYSA-N 2 2 322.428 0.737 20 10 DCCDLP Cc1cccc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1O ZINC001236312767 769996294 /nfs/dbraw/zinc/99/62/94/769996294.db2.gz ZQLDCFHTCZYFRR-UHFFFAOYSA-N 3 2 308.426 0.316 20 10 DCCDLP Cc1cccc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1O ZINC001236312767 769996301 /nfs/dbraw/zinc/99/63/01/769996301.db2.gz ZQLDCFHTCZYFRR-UHFFFAOYSA-N 3 2 308.426 0.316 20 10 DCCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206519427 773083841 /nfs/dbraw/zinc/08/38/41/773083841.db2.gz LAPNRDLYLPOPDR-HZMBPMFUSA-N 2 2 304.346 0.558 20 10 DCCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206519427 773083846 /nfs/dbraw/zinc/08/38/46/773083846.db2.gz LAPNRDLYLPOPDR-HZMBPMFUSA-N 2 2 304.346 0.558 20 10 DCCDLP Oc1cc2c(cc1C[N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235061464 769755692 /nfs/dbraw/zinc/75/56/92/769755692.db2.gz LSFSAVQQOGLJBK-QGZVFWFLSA-N 3 2 318.421 0.012 20 10 DCCDLP Oc1cc2c(cc1C[N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235061464 769755700 /nfs/dbraw/zinc/75/57/00/769755700.db2.gz LSFSAVQQOGLJBK-QGZVFWFLSA-N 3 2 318.421 0.012 20 10 DCCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206468838 773079450 /nfs/dbraw/zinc/07/94/50/773079450.db2.gz LAPNRDLYLPOPDR-IINYFYTJSA-N 2 2 304.346 0.558 20 10 DCCDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206468838 773079456 /nfs/dbraw/zinc/07/94/56/773079456.db2.gz LAPNRDLYLPOPDR-IINYFYTJSA-N 2 2 304.346 0.558 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](O)[C@@H](O)C3)cc2F)CC1 ZINC001319947777 945701876 /nfs/dbraw/zinc/70/18/76/945701876.db2.gz DEWDFWOUWDQDEC-IYBDPMFKSA-N 2 2 309.385 0.115 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](O)[C@@H](O)C3)cc2F)CC1 ZINC001319947777 945701883 /nfs/dbraw/zinc/70/18/83/945701883.db2.gz DEWDFWOUWDQDEC-IYBDPMFKSA-N 2 2 309.385 0.115 20 10 DCCDLP CN(C)c1ccc(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC001346163469 953810067 /nfs/dbraw/zinc/81/00/67/953810067.db2.gz SKSYBBAXRRNUFK-UHFFFAOYSA-N 2 2 319.453 0.975 20 10 DCCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCNC1=O ZINC001254040334 946223858 /nfs/dbraw/zinc/22/38/58/946223858.db2.gz PERZKBKZJWNCTG-INIZCTEOSA-N 2 2 320.412 0.898 20 10 DCCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCNC1=O ZINC001254040334 946223869 /nfs/dbraw/zinc/22/38/69/946223869.db2.gz PERZKBKZJWNCTG-INIZCTEOSA-N 2 2 320.412 0.898 20 10 DCCDLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000846219731 672301060 /nfs/dbraw/zinc/30/10/60/672301060.db2.gz FSCJAYVZPKAXAF-INIZCTEOSA-N 2 2 311.401 0.927 20 10 DCCDLP CNC(=O)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118608903 766372418 /nfs/dbraw/zinc/37/24/18/766372418.db2.gz LJUOFECFPLINMH-UHFFFAOYSA-N 2 2 308.401 0.755 20 10 DCCDLP CNC(=O)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118608903 766372429 /nfs/dbraw/zinc/37/24/29/766372429.db2.gz LJUOFECFPLINMH-UHFFFAOYSA-N 2 2 308.401 0.755 20 10 DCCDLP COc1cc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c(OC)c1 ZINC001222511143 775373205 /nfs/dbraw/zinc/37/32/05/775373205.db2.gz QABRZUHALBVYBH-GJZGRUSLSA-N 2 2 321.421 0.935 20 10 DCCDLP COc1cc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c(OC)c1 ZINC001222511143 775373218 /nfs/dbraw/zinc/37/32/18/775373218.db2.gz QABRZUHALBVYBH-GJZGRUSLSA-N 2 2 321.421 0.935 20 10 DCCDLP O=C1C[C@H]([NH2+]Cc2ccccc2O)CN1CC[NH+]1CCOCC1 ZINC000172697045 396132936 /nfs/dbraw/zinc/13/29/36/396132936.db2.gz LMXCJKCXZFYPEZ-HNNXBMFYSA-N 2 2 319.405 0.415 20 10 DCCDLP C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775666509 668866278 /nfs/dbraw/zinc/86/62/78/668866278.db2.gz ZODBRQINMCHDEX-AWEZNQCLSA-N 2 2 302.422 0.759 20 10 DCCDLP C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775666509 668866279 /nfs/dbraw/zinc/86/62/79/668866279.db2.gz ZODBRQINMCHDEX-AWEZNQCLSA-N 2 2 302.422 0.759 20 10 DCCDLP COC(=O)c1c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001206530387 773084773 /nfs/dbraw/zinc/08/47/73/773084773.db2.gz IEDFVTRKTCYTBU-NHYWBVRUSA-N 2 2 317.389 0.716 20 10 DCCDLP COC(=O)c1c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001206530387 773084778 /nfs/dbraw/zinc/08/47/78/773084778.db2.gz IEDFVTRKTCYTBU-NHYWBVRUSA-N 2 2 317.389 0.716 20 10 DCCDLP Cn1ncnc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283447 669666425 /nfs/dbraw/zinc/66/64/25/669666425.db2.gz FXTJFZKPQXYFFF-UHFFFAOYSA-N 2 2 300.410 0.857 20 10 DCCDLP COCC[C@@H]([NH3+])C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001579002355 1165185379 /nfs/dbraw/zinc/18/53/79/1165185379.db2.gz AMXYNEUBUGMNOK-MRXNPFEDSA-N 3 2 306.454 0.892 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060960 769977802 /nfs/dbraw/zinc/97/78/02/769977802.db2.gz VSRNKJKUJVFIFP-HOCLYGCPSA-N 3 2 316.449 0.986 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060960 769977812 /nfs/dbraw/zinc/97/78/12/769977812.db2.gz VSRNKJKUJVFIFP-HOCLYGCPSA-N 3 2 316.449 0.986 20 10 DCCDLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc(Cl)c3cccnc3c2O)C1 ZINC001220212573 774735771 /nfs/dbraw/zinc/73/57/71/774735771.db2.gz ORFUDBXZAHWESU-SKDRFNHKSA-N 2 2 320.780 0.899 20 10 DCCDLP C[NH+](C)CC(=O)NCc1cc(NC(=O)C[NH+](C)C)ccc1O ZINC000923123353 667462631 /nfs/dbraw/zinc/46/26/31/667462631.db2.gz WDTTVESWSBUWLP-UHFFFAOYSA-N 2 2 308.382 0.070 20 10 DCCDLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844218957 672164739 /nfs/dbraw/zinc/16/47/39/672164739.db2.gz GLUNMSOWSAYBQY-OAHLLOKOSA-N 2 2 304.438 0.910 20 10 DCCDLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844218957 672164742 /nfs/dbraw/zinc/16/47/42/672164742.db2.gz GLUNMSOWSAYBQY-OAHLLOKOSA-N 2 2 304.438 0.910 20 10 DCCDLP COc1cccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000846010105 672289557 /nfs/dbraw/zinc/28/95/57/672289557.db2.gz BHENWZRBXCYUIU-UHFFFAOYSA-N 2 2 307.394 0.607 20 10 DCCDLP COc1cccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000846010105 672289559 /nfs/dbraw/zinc/28/95/59/672289559.db2.gz BHENWZRBXCYUIU-UHFFFAOYSA-N 2 2 307.394 0.607 20 10 DCCDLP COC(=O)[C@@H]1C[C@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C[NH2+]1 ZINC001218176054 774214957 /nfs/dbraw/zinc/21/49/57/774214957.db2.gz COGKCQIIGXVFRT-GJZGRUSLSA-N 2 2 305.378 0.379 20 10 DCCDLP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246173346 945355852 /nfs/dbraw/zinc/35/58/52/945355852.db2.gz LRMOOEHCXXIXJV-ALOPSCKCSA-N 3 2 316.449 0.705 20 10 DCCDLP COC(=O)NC1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001324747019 947521244 /nfs/dbraw/zinc/52/12/44/947521244.db2.gz JWLUKLOXELFLLU-UHFFFAOYSA-N 2 2 318.421 0.979 20 10 DCCDLP [NH3+][C@@]1(CO)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000923473203 667542546 /nfs/dbraw/zinc/54/25/46/667542546.db2.gz KRMHBOGVUZVPPF-KRWDZBQOSA-N 2 2 305.422 0.809 20 10 DCCDLP [NH3+][C@@]1(CO)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000923473203 667542548 /nfs/dbraw/zinc/54/25/48/667542548.db2.gz KRMHBOGVUZVPPF-KRWDZBQOSA-N 2 2 305.422 0.809 20 10 DCCDLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000846219732 672301226 /nfs/dbraw/zinc/30/12/26/672301226.db2.gz FSCJAYVZPKAXAF-MRXNPFEDSA-N 2 2 311.401 0.927 20 10 DCCDLP COC(=O)c1c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001206480694 773080795 /nfs/dbraw/zinc/08/07/95/773080795.db2.gz IEDFVTRKTCYTBU-XHDPSFHLSA-N 2 2 317.389 0.716 20 10 DCCDLP COC(=O)c1c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c2ccccc2n1C ZINC001206480694 773080799 /nfs/dbraw/zinc/08/07/99/773080799.db2.gz IEDFVTRKTCYTBU-XHDPSFHLSA-N 2 2 317.389 0.716 20 10 DCCDLP COc1c(O)c(C[NH2+]C2(C[NH3+])CCOCC2)ccc1[N+](=O)[O-] ZINC001579136597 1165220933 /nfs/dbraw/zinc/22/09/33/1165220933.db2.gz OUXDVUNAQLAJOO-UHFFFAOYSA-N 2 2 311.338 0.907 20 10 DCCDLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944366 670955551 /nfs/dbraw/zinc/95/55/51/670955551.db2.gz ZXBWKEQRXFIZLM-BZUAXINKSA-N 2 2 320.437 0.636 20 10 DCCDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000843065790 672058336 /nfs/dbraw/zinc/05/83/36/672058336.db2.gz PTTSTWVPJHSCIF-AWEZNQCLSA-N 2 2 307.369 0.928 20 10 DCCDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000843065790 672058337 /nfs/dbraw/zinc/05/83/37/672058337.db2.gz PTTSTWVPJHSCIF-AWEZNQCLSA-N 2 2 307.369 0.928 20 10 DCCDLP CCOc1cccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000846010568 672289330 /nfs/dbraw/zinc/28/93/30/672289330.db2.gz FIDATKBGUDOTTM-UHFFFAOYSA-N 2 2 321.421 0.997 20 10 DCCDLP CCOc1cccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1O ZINC000846010568 672289332 /nfs/dbraw/zinc/28/93/32/672289332.db2.gz FIDATKBGUDOTTM-UHFFFAOYSA-N 2 2 321.421 0.997 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235064166 769756827 /nfs/dbraw/zinc/75/68/27/769756827.db2.gz HCNMWTBRONOXGG-KRWDZBQOSA-N 3 2 302.422 0.740 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001235064166 769756834 /nfs/dbraw/zinc/75/68/34/769756834.db2.gz HCNMWTBRONOXGG-KRWDZBQOSA-N 3 2 302.422 0.740 20 10 DCCDLP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@@H]1CCC[NH2+]1 ZINC001236122717 769979688 /nfs/dbraw/zinc/97/96/88/769979688.db2.gz YSMQUYAYVSNNKV-HNNXBMFYSA-N 3 2 304.438 0.986 20 10 DCCDLP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@@H]1CCC[NH2+]1 ZINC001236122717 769979690 /nfs/dbraw/zinc/97/96/90/769979690.db2.gz YSMQUYAYVSNNKV-HNNXBMFYSA-N 3 2 304.438 0.986 20 10 DCCDLP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@@H]1C[NH2+]CCO1 ZINC001205377395 772990013 /nfs/dbraw/zinc/99/00/13/772990013.db2.gz WQQTUCSTWQVBAQ-INIZCTEOSA-N 3 2 320.437 0.222 20 10 DCCDLP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)C[C@@H]1C[NH2+]CCO1 ZINC001205377395 772990015 /nfs/dbraw/zinc/99/00/15/772990015.db2.gz WQQTUCSTWQVBAQ-INIZCTEOSA-N 3 2 320.437 0.222 20 10 DCCDLP C[NH+](C)CCN1CC2(C[NH+](Cc3ccccc3O)C2)OCC1=O ZINC001272618500 942871066 /nfs/dbraw/zinc/87/10/66/942871066.db2.gz JSNYCSPQKMOXEM-UHFFFAOYSA-N 2 2 319.405 0.367 20 10 DCCDLP CN(Cc1ccccc1O)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336942171 952787092 /nfs/dbraw/zinc/78/70/92/952787092.db2.gz NCLYOCBOPMJDGA-UHFFFAOYSA-N 2 2 306.410 0.957 20 10 DCCDLP Nc1ccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC001345160126 953602582 /nfs/dbraw/zinc/60/25/82/953602582.db2.gz RNRJJFUAZHFGRK-UHFFFAOYSA-N 2 2 303.410 0.412 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@H](O)C3)c(F)c2)CC1 ZINC001236937314 770025620 /nfs/dbraw/zinc/02/56/20/770025620.db2.gz YYZNSVLLNCTCMC-MRXNPFEDSA-N 2 2 323.412 0.771 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H](O)C3)c(F)c2)CC1 ZINC001236937314 770025633 /nfs/dbraw/zinc/02/56/33/770025633.db2.gz YYZNSVLLNCTCMC-MRXNPFEDSA-N 2 2 323.412 0.771 20 10 DCCDLP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])C(F)F)cc1 ZINC000911667978 664097208 /nfs/dbraw/zinc/09/72/08/664097208.db2.gz VVGQBJGABZENNF-VXGBXAGGSA-N 2 2 300.353 0.851 20 10 DCCDLP COc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1O ZINC000858224329 670981579 /nfs/dbraw/zinc/98/15/79/670981579.db2.gz BWJXLAOPWQBIRM-ZDUSSCGKSA-N 2 2 307.394 0.830 20 10 DCCDLP COc1cccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1O ZINC000858224329 670981581 /nfs/dbraw/zinc/98/15/81/670981581.db2.gz BWJXLAOPWQBIRM-ZDUSSCGKSA-N 2 2 307.394 0.830 20 10 DCCDLP COc1cc(O)c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(OC)c1 ZINC001235064706 769756531 /nfs/dbraw/zinc/75/65/31/769756531.db2.gz SYRQOIIORLIEOU-MRXNPFEDSA-N 2 2 307.394 0.547 20 10 DCCDLP COc1cc(O)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(OC)c1 ZINC001235064706 769756536 /nfs/dbraw/zinc/75/65/36/769756536.db2.gz SYRQOIIORLIEOU-MRXNPFEDSA-N 2 2 307.394 0.547 20 10 DCCDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)C[C@@H]1O ZINC001206525629 773084222 /nfs/dbraw/zinc/08/42/22/773084222.db2.gz VVXGSISBCMCQIQ-BBRMVZONSA-N 2 2 309.385 0.414 20 10 DCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)C[C@@H]1O ZINC001206525629 773084223 /nfs/dbraw/zinc/08/42/23/773084223.db2.gz VVXGSISBCMCQIQ-BBRMVZONSA-N 2 2 309.385 0.414 20 10 DCCDLP Cn1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001347803348 954166780 /nfs/dbraw/zinc/16/67/80/954166780.db2.gz XTVDFYSKWUHFQT-UHFFFAOYSA-N 2 2 318.400 0.996 20 10 DCCDLP O=C1C[C@@H]([NH2+]Cc2ccccc2O)CN1CC[NH+]1CCOCC1 ZINC000172697041 396132816 /nfs/dbraw/zinc/13/28/16/396132816.db2.gz LMXCJKCXZFYPEZ-OAHLLOKOSA-N 2 2 319.405 0.415 20 10 DCCDLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235167850 769772064 /nfs/dbraw/zinc/77/20/64/769772064.db2.gz BTVVNVORJDLQIZ-WMLDXEAASA-N 3 2 302.422 0.725 20 10 DCCDLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001235167850 769772070 /nfs/dbraw/zinc/77/20/70/769772070.db2.gz BTVVNVORJDLQIZ-WMLDXEAASA-N 3 2 302.422 0.725 20 10 DCCDLP COc1cc(C[NH+]2CCOCC2)ccc1N(CC[NH3+])CCO ZINC001163836108 772579990 /nfs/dbraw/zinc/57/99/90/772579990.db2.gz MRFQTJGTRSNKNU-UHFFFAOYSA-N 2 2 309.410 0.285 20 10 DCCDLP Cc1cc(C)c(CNC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)c(O)c1 ZINC001220825630 774926879 /nfs/dbraw/zinc/92/68/79/774926879.db2.gz OVIHQDBILPINST-OAHLLOKOSA-N 2 2 320.437 0.376 20 10 DCCDLP CN(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000193306784 396448563 /nfs/dbraw/zinc/44/85/63/396448563.db2.gz SGFIREAFHOKKQW-UHFFFAOYSA-N 2 2 304.438 0.958 20 10 DCCDLP COc1cccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1O ZINC000843065536 672058144 /nfs/dbraw/zinc/05/81/44/672058144.db2.gz MXAIVYFISNVNAJ-AWEZNQCLSA-N 2 2 319.405 0.797 20 10 DCCDLP COc1cccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1O ZINC000843065536 672058146 /nfs/dbraw/zinc/05/81/46/672058146.db2.gz MXAIVYFISNVNAJ-AWEZNQCLSA-N 2 2 319.405 0.797 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[NH+]3CC(C(N)=O)C3)c(F)c2)CC1 ZINC001236934095 770024258 /nfs/dbraw/zinc/02/42/58/770024258.db2.gz CKYKTZOZQRYHFW-UHFFFAOYSA-N 2 2 306.385 0.495 20 10 DCCDLP Oc1cc2c(cc1C[N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235061460 769755124 /nfs/dbraw/zinc/75/51/24/769755124.db2.gz LSFSAVQQOGLJBK-KRWDZBQOSA-N 3 2 318.421 0.012 20 10 DCCDLP Oc1cc2c(cc1C[N@H+]1CCN[C@]3(CC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235061460 769755133 /nfs/dbraw/zinc/75/51/33/769755133.db2.gz LSFSAVQQOGLJBK-KRWDZBQOSA-N 3 2 318.421 0.012 20 10 DCCDLP CN(C)c1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1F ZINC001177525089 770470687 /nfs/dbraw/zinc/47/06/87/770470687.db2.gz NGQHPDIIDAPTRX-UHFFFAOYSA-N 2 2 308.401 0.755 20 10 DCCDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921609567 667278163 /nfs/dbraw/zinc/27/81/63/667278163.db2.gz OSXGYIUGZJDTBS-UHFFFAOYSA-N 2 2 303.406 0.875 20 10 DCCDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000857308354 670909236 /nfs/dbraw/zinc/90/92/36/670909236.db2.gz NGKJAGBXWLFAAI-UHFFFAOYSA-N 2 2 313.373 0.850 20 10 DCCDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000857308354 670909238 /nfs/dbraw/zinc/90/92/38/670909238.db2.gz NGKJAGBXWLFAAI-UHFFFAOYSA-N 2 2 313.373 0.850 20 10 DCCDLP COc1cccc(O)c1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000843065041 672057886 /nfs/dbraw/zinc/05/78/86/672057886.db2.gz IIOILGQEQHFPTM-ZDUSSCGKSA-N 2 2 319.405 0.797 20 10 DCCDLP COc1cccc(O)c1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000843065041 672057888 /nfs/dbraw/zinc/05/78/88/672057888.db2.gz IIOILGQEQHFPTM-ZDUSSCGKSA-N 2 2 319.405 0.797 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005031 769740636 /nfs/dbraw/zinc/74/06/36/769740636.db2.gz FWJNHHFPYYYOJQ-XJKSGUPXSA-N 3 2 302.422 0.596 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005031 769740643 /nfs/dbraw/zinc/74/06/43/769740643.db2.gz FWJNHHFPYYYOJQ-XJKSGUPXSA-N 3 2 302.422 0.596 20 10 DCCDLP Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c(O)c1 ZINC001220825603 774926834 /nfs/dbraw/zinc/92/68/34/774926834.db2.gz NZJMSHZBWCSOAV-AWEZNQCLSA-N 2 2 302.378 0.929 20 10 DCCDLP CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653123831 418032241 /nfs/dbraw/zinc/03/22/41/418032241.db2.gz JELYZFMSDDVCDW-ZDUSSCGKSA-N 2 2 306.410 0.757 20 10 DCCDLP Fc1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)ccc1N1CCOCC1 ZINC000841099410 671912239 /nfs/dbraw/zinc/91/22/39/671912239.db2.gz PDATXDCUHFNWPW-CQSZACIVSA-N 2 2 309.385 0.740 20 10 DCCDLP COc1ccc(N2CCN(C(=O)C[N@H+](C)CCC[NH3+])CC2)cc1 ZINC000844218538 672165020 /nfs/dbraw/zinc/16/50/20/672165020.db2.gz CCUUFGGITBUDMG-UHFFFAOYSA-N 2 2 320.437 0.624 20 10 DCCDLP COc1ccc(N2CCN(C(=O)C[N@@H+](C)CCC[NH3+])CC2)cc1 ZINC000844218538 672165021 /nfs/dbraw/zinc/16/50/21/672165021.db2.gz CCUUFGGITBUDMG-UHFFFAOYSA-N 2 2 320.437 0.624 20 10 DCCDLP COc1cc(N(C)C)ccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235066014 769756503 /nfs/dbraw/zinc/75/65/03/769756503.db2.gz ZXWDDQNKOHQEME-KRWDZBQOSA-N 2 2 304.438 0.899 20 10 DCCDLP COc1cc(N(C)C)ccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235066014 769756509 /nfs/dbraw/zinc/75/65/09/769756509.db2.gz ZXWDDQNKOHQEME-KRWDZBQOSA-N 2 2 304.438 0.899 20 10 DCCDLP Oc1ccccc1C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001203556643 772913568 /nfs/dbraw/zinc/91/35/68/772913568.db2.gz SHFQWDGMHNNJMK-UHFFFAOYSA-N 2 2 305.422 0.842 20 10 DCCDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nnnn1C ZINC001474290251 1017014895 /nfs/dbraw/zinc/01/48/95/1017014895.db2.gz VHTQKNYOEQRFNI-ZDUSSCGKSA-N 2 2 315.425 0.813 20 10 DCCDLP COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000182344426 659116893 /nfs/dbraw/zinc/11/68/93/659116893.db2.gz RCDCPPUFLYQAFQ-LBPRGKRZSA-N 2 2 307.394 0.825 20 10 DCCDLP CC[NH2+]CC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000844190186 672160571 /nfs/dbraw/zinc/16/05/71/672160571.db2.gz FLHSSSQSXRVCLJ-UHFFFAOYSA-N 2 2 320.437 0.543 20 10 DCCDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001584194667 1166314074 /nfs/dbraw/zinc/31/40/74/1166314074.db2.gz DBKRXQCBXHSLGQ-UHFFFAOYSA-N 2 2 309.410 0.640 20 10 DCCDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(O)c(O)c1 ZINC001584194667 1166314079 /nfs/dbraw/zinc/31/40/79/1166314079.db2.gz DBKRXQCBXHSLGQ-UHFFFAOYSA-N 2 2 309.410 0.640 20 10 DCCDLP COc1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c(OC)c1 ZINC001235059938 769755642 /nfs/dbraw/zinc/75/56/42/769755642.db2.gz DAABAGWJHJIRNK-INIZCTEOSA-N 2 2 307.394 0.547 20 10 DCCDLP COc1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c(OC)c1 ZINC001235059938 769755651 /nfs/dbraw/zinc/75/56/51/769755651.db2.gz DAABAGWJHJIRNK-INIZCTEOSA-N 2 2 307.394 0.547 20 10 DCCDLP Oc1c(F)ccc(F)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869327 769953839 /nfs/dbraw/zinc/95/38/39/769953839.db2.gz BAJPOMQFYQHMOY-UHFFFAOYSA-N 2 2 314.380 0.255 20 10 DCCDLP COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218350620 774222116 /nfs/dbraw/zinc/22/21/16/774222116.db2.gz NPJJRCWUJZONCQ-CABCVRRESA-N 2 2 305.378 0.379 20 10 DCCDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771859009 668757525 /nfs/dbraw/zinc/75/75/25/668757525.db2.gz KHFAWYUOFWKOQT-SFHVURJKSA-N 3 2 320.481 0.841 20 10 DCCDLP C[NH+]1CCN(c2ccc(CN3CC[N@H+](C)C[C@@H]3C[NH3+])cc2)CC1 ZINC000843121318 672064196 /nfs/dbraw/zinc/06/41/96/672064196.db2.gz DBWOQFOVCVTSNM-SFHVURJKSA-N 3 2 317.481 0.513 20 10 DCCDLP C[NH+]1CCN(c2ccc(CN3CC[N@@H+](C)C[C@@H]3C[NH3+])cc2)CC1 ZINC000843121318 672064199 /nfs/dbraw/zinc/06/41/99/672064199.db2.gz DBWOQFOVCVTSNM-SFHVURJKSA-N 3 2 317.481 0.513 20 10 DCCDLP [NH3+][C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC12CC2 ZINC001204912322 772968494 /nfs/dbraw/zinc/96/84/94/772968494.db2.gz UESVEUWQHZARIG-MRXNPFEDSA-N 3 2 302.422 0.725 20 10 DCCDLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC12CC2 ZINC001204912322 772968497 /nfs/dbraw/zinc/96/84/97/772968497.db2.gz UESVEUWQHZARIG-MRXNPFEDSA-N 3 2 302.422 0.725 20 10 DCCDLP COc1cc(C)cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1O ZINC000894207192 661658395 /nfs/dbraw/zinc/65/83/95/661658395.db2.gz SHJSORSKOLDOLT-UHFFFAOYSA-N 2 2 307.394 0.573 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187890 769774563 /nfs/dbraw/zinc/77/45/63/769774563.db2.gz GUGNOPHDUJTGAK-XJKSGUPXSA-N 3 2 302.422 0.596 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187890 769774568 /nfs/dbraw/zinc/77/45/68/769774568.db2.gz GUGNOPHDUJTGAK-XJKSGUPXSA-N 3 2 302.422 0.596 20 10 DCCDLP Oc1c(CN2CC[NH2+]CCNCC[NH2+]CC2)ccc(F)c1F ZINC001235871231 769956372 /nfs/dbraw/zinc/95/63/72/769956372.db2.gz SMKZNLFDHPAYLJ-UHFFFAOYSA-N 2 2 314.380 0.255 20 10 DCCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H](O)CO)CC2)cc1 ZINC001252068680 945864787 /nfs/dbraw/zinc/86/47/87/945864787.db2.gz QOUIUGXDYKRWGX-INIZCTEOSA-N 2 2 323.437 0.150 20 10 DCCDLP COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000182344446 665788417 /nfs/dbraw/zinc/78/84/17/665788417.db2.gz RCDCPPUFLYQAFQ-GFCCVEGCSA-N 2 2 307.394 0.825 20 10 DCCDLP C[NH+]1CCN(c2ccc(CN3CC[NH2+]CC[NH2+]CC3)cc2)CC1 ZINC000904396739 663511578 /nfs/dbraw/zinc/51/15/78/663511578.db2.gz OWTHZJPDMAZUAU-UHFFFAOYSA-N 3 2 317.481 0.433 20 10 DCCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000762788722 668377484 /nfs/dbraw/zinc/37/74/84/668377484.db2.gz QBPDYGQSWCVVFT-ZBEGNZNMSA-N 2 2 308.378 0.896 20 10 DCCDLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccccc1O ZINC001275266584 952037526 /nfs/dbraw/zinc/03/75/26/952037526.db2.gz BCHJGKXRODEXKG-IYBDPMFKSA-N 2 2 305.422 0.839 20 10 DCCDLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccccc1O ZINC001275266584 952037530 /nfs/dbraw/zinc/03/75/30/952037530.db2.gz BCHJGKXRODEXKG-IYBDPMFKSA-N 2 2 305.422 0.839 20 10 DCCDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923517373 667552419 /nfs/dbraw/zinc/55/24/19/667552419.db2.gz KOBYHTRYKHOEPY-JKSUJKDBSA-N 2 2 316.449 0.910 20 10 DCCDLP CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000923517373 667552424 /nfs/dbraw/zinc/55/24/24/667552424.db2.gz KOBYHTRYKHOEPY-JKSUJKDBSA-N 2 2 316.449 0.910 20 10 DCCDLP CN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000775703799 668866828 /nfs/dbraw/zinc/86/68/28/668866828.db2.gz YSSWBLUOUYPWQJ-UHFFFAOYSA-N 2 2 302.422 0.712 20 10 DCCDLP CN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000775703799 668866829 /nfs/dbraw/zinc/86/68/29/668866829.db2.gz YSSWBLUOUYPWQJ-UHFFFAOYSA-N 2 2 302.422 0.712 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[NH2+]CCc3nc[nH]n3)cc2)CC1 ZINC001657360730 1173910985 /nfs/dbraw/zinc/91/09/85/1173910985.db2.gz SVLMGFBLLHFSAL-UHFFFAOYSA-N 2 2 300.410 0.889 20 10 DCCDLP Cc1ccc(C)c(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1O ZINC001236310652 769993357 /nfs/dbraw/zinc/99/33/57/769993357.db2.gz LHYJRLCCCDWCDZ-UHFFFAOYSA-N 3 2 322.453 0.625 20 10 DCCDLP Cc1ccc(C)c(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1O ZINC001236310652 769993363 /nfs/dbraw/zinc/99/33/63/769993363.db2.gz LHYJRLCCCDWCDZ-UHFFFAOYSA-N 3 2 322.453 0.625 20 10 DCCDLP COc1cc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c(O)c(OC)c1 ZINC001237686453 770073009 /nfs/dbraw/zinc/07/30/09/770073009.db2.gz ZRZMWSAYLROBRQ-UHFFFAOYSA-N 2 2 321.421 0.841 20 10 DCCDLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160925092 772138792 /nfs/dbraw/zinc/13/87/92/772138792.db2.gz UJWVRMHHCMXUKA-ZDUSSCGKSA-N 2 2 316.361 0.666 20 10 DCCDLP Cn1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000808416627 670410600 /nfs/dbraw/zinc/41/06/00/670410600.db2.gz KLCRSWQGLKDHTJ-UHFFFAOYSA-N 2 2 300.410 0.857 20 10 DCCDLP C[NH+]1CCN(c2ccc(CNc3nc(N)nc(N)[nH+]3)cc2)CC1 ZINC001640335671 1171876645 /nfs/dbraw/zinc/87/66/45/1171876645.db2.gz FOOQSKDRSDFYAM-UHFFFAOYSA-N 2 2 314.397 0.400 20 10 DCCDLP CN(C)c1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222507170 775372812 /nfs/dbraw/zinc/37/28/12/775372812.db2.gz OVIJNWWQVSELKP-HOTGVXAUSA-N 2 2 304.438 0.984 20 10 DCCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000844222483 672165471 /nfs/dbraw/zinc/16/54/71/672165471.db2.gz GOSPLHZECKSQQU-IYBDPMFKSA-N 2 2 316.449 0.862 20 10 DCCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000844222483 672165472 /nfs/dbraw/zinc/16/54/72/672165472.db2.gz GOSPLHZECKSQQU-IYBDPMFKSA-N 2 2 316.449 0.862 20 10 DCCDLP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235346520 769819971 /nfs/dbraw/zinc/81/99/71/769819971.db2.gz HKWBPLXSPCREPD-INIZCTEOSA-N 3 2 304.438 0.986 20 10 DCCDLP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235346520 769819985 /nfs/dbraw/zinc/81/99/85/769819985.db2.gz HKWBPLXSPCREPD-INIZCTEOSA-N 3 2 304.438 0.986 20 10 DCCDLP [NH3+]C[C@H]1C[N@H+](Cc2c(O)cccc2Br)C[C@H]1O ZINC001206467881 773078939 /nfs/dbraw/zinc/07/89/39/773078939.db2.gz CUUPAMCTSSSEDU-QPUJVOFHSA-N 2 2 301.184 0.906 20 10 DCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)cccc2Br)C[C@H]1O ZINC001206467881 773078944 /nfs/dbraw/zinc/07/89/44/773078944.db2.gz CUUPAMCTSSSEDU-QPUJVOFHSA-N 2 2 301.184 0.906 20 10 DCCDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H]1O ZINC001206512641 773082831 /nfs/dbraw/zinc/08/28/31/773082831.db2.gz SCVLMFIZJQVAGV-CABZTGNLSA-N 2 2 301.184 0.906 20 10 DCCDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@@H]1O ZINC001206512641 773082836 /nfs/dbraw/zinc/08/28/36/773082836.db2.gz SCVLMFIZJQVAGV-CABZTGNLSA-N 2 2 301.184 0.906 20 10 DCCDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000762555386 668366625 /nfs/dbraw/zinc/36/66/25/668366625.db2.gz IDSXTSDMMBMVQV-GOSISDBHSA-N 3 2 318.465 0.595 20 10 DCCDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000762555386 668366630 /nfs/dbraw/zinc/36/66/30/668366630.db2.gz IDSXTSDMMBMVQV-GOSISDBHSA-N 3 2 318.465 0.595 20 10 DCCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000843065145 672057730 /nfs/dbraw/zinc/05/77/30/672057730.db2.gz JMCWRWPUGOZGHL-CQSZACIVSA-N 2 2 319.405 0.797 20 10 DCCDLP COc1ccc(O)c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000843065145 672057732 /nfs/dbraw/zinc/05/77/32/672057732.db2.gz JMCWRWPUGOZGHL-CQSZACIVSA-N 2 2 319.405 0.797 20 10 DCCDLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160925090 772138501 /nfs/dbraw/zinc/13/85/01/772138501.db2.gz UJWVRMHHCMXUKA-CYBMUJFWSA-N 2 2 316.361 0.666 20 10 DCCDLP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]([NH3+])C(F)F)cc1 ZINC000911667976 664097081 /nfs/dbraw/zinc/09/70/81/664097081.db2.gz VVGQBJGABZENNF-NWDGAFQWSA-N 2 2 300.353 0.851 20 10 DCCDLP CN1CCOc2cc(C[NH+]3CC(N4CC[NH+](C)CC4)C3)ccc21 ZINC001141146360 768569955 /nfs/dbraw/zinc/56/99/55/768569955.db2.gz UIYKXEGCHKHPKR-UHFFFAOYSA-N 2 2 316.449 0.947 20 10 DCCDLP COc1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c(OC)c1 ZINC001235059940 769755048 /nfs/dbraw/zinc/75/50/48/769755048.db2.gz DAABAGWJHJIRNK-MRXNPFEDSA-N 2 2 307.394 0.547 20 10 DCCDLP COc1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(O)c(OC)c1 ZINC001235059940 769755054 /nfs/dbraw/zinc/75/50/54/769755054.db2.gz DAABAGWJHJIRNK-MRXNPFEDSA-N 2 2 307.394 0.547 20 10 DCCDLP C[NH+]1CCN(c2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)CC1 ZINC000918846632 665185953 /nfs/dbraw/zinc/18/59/53/665185953.db2.gz UCDHKLUPKOJVDS-UHFFFAOYSA-N 2 2 313.405 0.951 20 10 DCCDLP C[NH+]1CCN(c2ccc(CN3CC[N@H+](C)C[C@H]3C[NH3+])cc2)CC1 ZINC000843121317 672064131 /nfs/dbraw/zinc/06/41/31/672064131.db2.gz DBWOQFOVCVTSNM-GOSISDBHSA-N 3 2 317.481 0.513 20 10 DCCDLP C[NH+]1CCN(c2ccc(CN3CC[N@@H+](C)C[C@H]3C[NH3+])cc2)CC1 ZINC000843121317 672064136 /nfs/dbraw/zinc/06/41/36/672064136.db2.gz DBWOQFOVCVTSNM-GOSISDBHSA-N 3 2 317.481 0.513 20 10 DCCDLP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235346521 769820668 /nfs/dbraw/zinc/82/06/68/769820668.db2.gz HKWBPLXSPCREPD-MRXNPFEDSA-N 3 2 304.438 0.986 20 10 DCCDLP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235346521 769820683 /nfs/dbraw/zinc/82/06/83/769820683.db2.gz HKWBPLXSPCREPD-MRXNPFEDSA-N 3 2 304.438 0.986 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](O)C[C@H](O)C3)cc2F)CC1 ZINC001324751364 947522700 /nfs/dbraw/zinc/52/27/00/947522700.db2.gz LWXRTSZXMFIBPL-GASCZTMLSA-N 2 2 323.412 0.505 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](O)C[C@H](O)C3)cc2F)CC1 ZINC001324751364 947522709 /nfs/dbraw/zinc/52/27/09/947522709.db2.gz LWXRTSZXMFIBPL-GASCZTMLSA-N 2 2 323.412 0.505 20 10 DCCDLP CO[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1O ZINC001330534133 950490976 /nfs/dbraw/zinc/49/09/76/950490976.db2.gz VLFCWNSGHVMCRT-IAGOWNOFSA-N 2 2 323.412 0.769 20 10 DCCDLP CO[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1O ZINC001330534133 950490992 /nfs/dbraw/zinc/49/09/92/950490992.db2.gz VLFCWNSGHVMCRT-IAGOWNOFSA-N 2 2 323.412 0.769 20 10 DCCDLP CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CC[NH2+]C1 ZINC001235969290 769965528 /nfs/dbraw/zinc/96/55/28/769965528.db2.gz BCFKHFHMYRTLNN-MRXNPFEDSA-N 3 2 304.438 0.986 20 10 DCCDLP CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CC[NH2+]C1 ZINC001235969290 769965542 /nfs/dbraw/zinc/96/55/42/769965542.db2.gz BCFKHFHMYRTLNN-MRXNPFEDSA-N 3 2 304.438 0.986 20 10 DCCDLP Cc1ccc(O)c(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236310855 769993143 /nfs/dbraw/zinc/99/31/43/769993143.db2.gz MNGWOTWWMVLRIL-UHFFFAOYSA-N 3 2 308.426 0.316 20 10 DCCDLP Cc1ccc(O)c(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236310855 769993149 /nfs/dbraw/zinc/99/31/49/769993149.db2.gz MNGWOTWWMVLRIL-UHFFFAOYSA-N 3 2 308.426 0.316 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[NH+]3CC(C)(C(N)=O)C3)cc2F)CC1 ZINC001326615789 948218884 /nfs/dbraw/zinc/21/88/84/948218884.db2.gz YVGFVXDBBQVCRK-UHFFFAOYSA-N 2 2 320.412 0.885 20 10 DCCDLP CNC(=O)C1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001328219128 948751748 /nfs/dbraw/zinc/75/17/48/948751748.db2.gz FDQWLJBGKNXMIY-UHFFFAOYSA-N 2 2 320.412 0.755 20 10 DCCDLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944367 670955557 /nfs/dbraw/zinc/95/55/57/670955557.db2.gz ZXBWKEQRXFIZLM-HRCADAONSA-N 2 2 320.437 0.636 20 10 DCCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CC[NH2+]3)CC2)cc1 ZINC000829504243 671578375 /nfs/dbraw/zinc/57/83/75/671578375.db2.gz CDFVQRNXRQNINJ-MRXNPFEDSA-N 2 2 318.421 0.295 20 10 DCCDLP COc1cc(C[N@@H+]2CCNC(=O)CC2)cc(C[NH+](C)C)c1O ZINC001139253119 768463418 /nfs/dbraw/zinc/46/34/18/768463418.db2.gz MOCOAGVPVSBHGB-UHFFFAOYSA-N 2 2 307.394 0.784 20 10 DCCDLP COc1cc(C[N@H+]2CCNC(=O)CC2)cc(C[NH+](C)C)c1O ZINC001139253119 768463422 /nfs/dbraw/zinc/46/34/22/768463422.db2.gz MOCOAGVPVSBHGB-UHFFFAOYSA-N 2 2 307.394 0.784 20 10 DCCDLP COc1cc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c(O)cc1O ZINC001231639598 769271619 /nfs/dbraw/zinc/27/16/19/769271619.db2.gz WBRXJUPFPMXHJC-UHFFFAOYSA-N 2 2 307.394 0.538 20 10 DCCDLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001157998822 771709484 /nfs/dbraw/zinc/70/94/84/771709484.db2.gz IGGZDBNYCPDREX-CHWSQXEVSA-N 2 2 321.377 0.146 20 10 DCCDLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001220212649 774736366 /nfs/dbraw/zinc/73/63/66/774736366.db2.gz RAYNYFGIVIZLDE-JQWIXIFHSA-N 2 2 320.780 0.757 20 10 DCCDLP CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653123830 418032622 /nfs/dbraw/zinc/03/26/22/418032622.db2.gz JELYZFMSDDVCDW-CYBMUJFWSA-N 2 2 306.410 0.757 20 10 DCCDLP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC(=O)N1 ZINC000824908943 671443434 /nfs/dbraw/zinc/44/34/34/671443434.db2.gz FZMWCXJMBGJLSP-AWEZNQCLSA-N 2 2 302.422 0.759 20 10 DCCDLP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC(=O)N1 ZINC000824908943 671443437 /nfs/dbraw/zinc/44/34/37/671443437.db2.gz FZMWCXJMBGJLSP-AWEZNQCLSA-N 2 2 302.422 0.759 20 10 DCCDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@@H]1F ZINC001235910607 769960207 /nfs/dbraw/zinc/96/02/07/769960207.db2.gz XLOOIWODJUNYKH-LSDHHAIUSA-N 3 2 308.401 0.673 20 10 DCCDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@@H]1F ZINC001235910607 769960208 /nfs/dbraw/zinc/96/02/08/769960208.db2.gz XLOOIWODJUNYKH-LSDHHAIUSA-N 3 2 308.401 0.673 20 10 DCCDLP O=C(N1CCCc2cc(O)c(O)cc2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160924283 772138619 /nfs/dbraw/zinc/13/86/19/772138619.db2.gz HHBQDCPRPVBLTM-GUYCJALGSA-N 2 2 317.389 0.324 20 10 DCCDLP COC(=O)[C@@H]1C[C@@H](Oc2ccc(N3CC[NH2+]CC3)cc2)C[NH2+]1 ZINC001218175588 774214773 /nfs/dbraw/zinc/21/47/73/774214773.db2.gz COGKCQIIGXVFRT-CABCVRRESA-N 2 2 305.378 0.379 20 10 DCCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000762788717 668377632 /nfs/dbraw/zinc/37/76/32/668377632.db2.gz QBPDYGQSWCVVFT-BZNIZROVSA-N 2 2 308.378 0.896 20 10 DCCDLP COc1cccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1O ZINC000843065538 672058269 /nfs/dbraw/zinc/05/82/69/672058269.db2.gz MXAIVYFISNVNAJ-CQSZACIVSA-N 2 2 319.405 0.797 20 10 DCCDLP COc1cccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1O ZINC000843065538 672058271 /nfs/dbraw/zinc/05/82/71/672058271.db2.gz MXAIVYFISNVNAJ-CQSZACIVSA-N 2 2 319.405 0.797 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000841099423 671912055 /nfs/dbraw/zinc/91/20/55/671912055.db2.gz PSFUTIUMKQZPAH-KRWDZBQOSA-N 3 2 304.438 0.516 20 10 DCCDLP COc1cc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(O)cc1C ZINC000844714262 672196431 /nfs/dbraw/zinc/19/64/31/672196431.db2.gz KPWYYGOIKHXYFD-UHFFFAOYSA-N 2 2 321.421 0.915 20 10 DCCDLP COc1cc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(O)cc1C ZINC000844714262 672196434 /nfs/dbraw/zinc/19/64/34/672196434.db2.gz KPWYYGOIKHXYFD-UHFFFAOYSA-N 2 2 321.421 0.915 20 10 DCCDLP Oc1cc2c(cc1CN1CC[NH2+]CC(F)(F)C1)C[NH2+]CCO2 ZINC001211348347 747199092 /nfs/dbraw/zinc/19/90/92/747199092.db2.gz XYMAXYRXZRVIGZ-UHFFFAOYSA-N 2 2 313.348 0.915 20 10 DCCDLP COc1cc(O)c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC001235063593 769755300 /nfs/dbraw/zinc/75/53/00/769755300.db2.gz UDFIZHTYMFPQRZ-MRXNPFEDSA-N 2 2 307.394 0.547 20 10 DCCDLP COc1cc(O)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC001235063593 769755310 /nfs/dbraw/zinc/75/53/10/769755310.db2.gz UDFIZHTYMFPQRZ-MRXNPFEDSA-N 2 2 307.394 0.547 20 10 DCCDLP Cc1cc(=O)oc2cc(O)c(C[N@H+](C)CC(=O)NCC[NH3+])cc12 ZINC001219870538 774633263 /nfs/dbraw/zinc/63/32/63/774633263.db2.gz ITFZSOVCXFRROZ-UHFFFAOYSA-N 2 2 319.361 0.314 20 10 DCCDLP Cc1cc(=O)oc2cc(O)c(C[N@@H+](C)CC(=O)NCC[NH3+])cc12 ZINC001219870538 774633270 /nfs/dbraw/zinc/63/32/70/774633270.db2.gz ITFZSOVCXFRROZ-UHFFFAOYSA-N 2 2 319.361 0.314 20 10 DCCDLP COc1c(O)c(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000278873800 396140213 /nfs/dbraw/zinc/14/02/13/396140213.db2.gz NEJYIAKHDAQYTJ-GFCCVEGCSA-N 2 2 324.381 0.644 20 10 DCCDLP COc1c(O)c(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000278873800 396140214 /nfs/dbraw/zinc/14/02/14/396140214.db2.gz NEJYIAKHDAQYTJ-GFCCVEGCSA-N 2 2 324.381 0.644 20 10 DCCDLP COc1ccc(O)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000862464876 667045663 /nfs/dbraw/zinc/04/56/63/667045663.db2.gz KYTLDJSPBFVUOR-AWEZNQCLSA-N 2 2 307.394 0.830 20 10 DCCDLP COc1ccc(O)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000862464876 667045668 /nfs/dbraw/zinc/04/56/68/667045668.db2.gz KYTLDJSPBFVUOR-AWEZNQCLSA-N 2 2 307.394 0.830 20 10 DCCDLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844218955 672164881 /nfs/dbraw/zinc/16/48/81/672164881.db2.gz GLUNMSOWSAYBQY-HNNXBMFYSA-N 2 2 304.438 0.910 20 10 DCCDLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000844218955 672164883 /nfs/dbraw/zinc/16/48/83/672164883.db2.gz GLUNMSOWSAYBQY-HNNXBMFYSA-N 2 2 304.438 0.910 20 10 DCCDLP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206519601 773083794 /nfs/dbraw/zinc/08/37/94/773083794.db2.gz NPHYZOWPKKYFST-KBPBESRZSA-N 3 2 309.410 0.214 20 10 DCCDLP COc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206519601 773083799 /nfs/dbraw/zinc/08/37/99/773083799.db2.gz NPHYZOWPKKYFST-KBPBESRZSA-N 3 2 309.410 0.214 20 10 DCCDLP C[NH+]1CCN(c2ccc(CN3CC[N@H+](C)C[C@H]3CO)cc2)CC1 ZINC000877644435 668635056 /nfs/dbraw/zinc/63/50/56/668635056.db2.gz PLJJGTOCOLWVIH-SFHVURJKSA-N 2 2 318.465 0.547 20 10 DCCDLP C[NH+]1CCN(c2ccc(CN3CC[N@@H+](C)C[C@H]3CO)cc2)CC1 ZINC000877644435 668635059 /nfs/dbraw/zinc/63/50/59/668635059.db2.gz PLJJGTOCOLWVIH-SFHVURJKSA-N 2 2 318.465 0.547 20 10 DCCDLP CN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](CO)C1 ZINC000877644435 668635065 /nfs/dbraw/zinc/63/50/65/668635065.db2.gz PLJJGTOCOLWVIH-SFHVURJKSA-N 2 2 318.465 0.547 20 10 DCCDLP CN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](CO)C1 ZINC000877644435 668635069 /nfs/dbraw/zinc/63/50/69/668635069.db2.gz PLJJGTOCOLWVIH-SFHVURJKSA-N 2 2 318.465 0.547 20 10 DCCDLP CCOc1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(O)c1 ZINC000846011604 672289351 /nfs/dbraw/zinc/28/93/51/672289351.db2.gz OYBAGJUBTVHZTR-UHFFFAOYSA-N 2 2 321.421 0.997 20 10 DCCDLP CCOc1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c(O)c1 ZINC000846011604 672289353 /nfs/dbraw/zinc/28/93/53/672289353.db2.gz OYBAGJUBTVHZTR-UHFFFAOYSA-N 2 2 321.421 0.997 20 10 DCCDLP COCC[C@H]([NH3+])C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001579002354 1165185004 /nfs/dbraw/zinc/18/50/04/1165185004.db2.gz AMXYNEUBUGMNOK-INIZCTEOSA-N 3 2 306.454 0.892 20 10 DCCDLP COc1cc(C[N@H+](C)CC(=O)N(C)C)cc(C[NH+](C)C)c1O ZINC001139256459 768463988 /nfs/dbraw/zinc/46/39/88/768463988.db2.gz CGKQYJDVRRFPDT-UHFFFAOYSA-N 2 2 309.410 0.982 20 10 DCCDLP COc1cc(C[N@@H+](C)CC(=O)N(C)C)cc(C[NH+](C)C)c1O ZINC001139256459 768463990 /nfs/dbraw/zinc/46/39/90/768463990.db2.gz CGKQYJDVRRFPDT-UHFFFAOYSA-N 2 2 309.410 0.982 20 10 DCCDLP Oc1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222379870 775338846 /nfs/dbraw/zinc/33/88/46/775338846.db2.gz LZQHCQUDMKCULZ-UHFFFAOYSA-N 3 2 302.422 0.597 20 10 DCCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCNC1=O ZINC001254040337 946222932 /nfs/dbraw/zinc/22/29/32/946222932.db2.gz PERZKBKZJWNCTG-MRXNPFEDSA-N 2 2 320.412 0.898 20 10 DCCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCNC1=O ZINC001254040337 946222943 /nfs/dbraw/zinc/22/29/43/946222943.db2.gz PERZKBKZJWNCTG-MRXNPFEDSA-N 2 2 320.412 0.898 20 10 DCCDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nnnn1C ZINC001474290250 1017014235 /nfs/dbraw/zinc/01/42/35/1017014235.db2.gz VHTQKNYOEQRFNI-CYBMUJFWSA-N 2 2 315.425 0.813 20 10 DCCDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000916739681 665091645 /nfs/dbraw/zinc/09/16/45/665091645.db2.gz GOSPLHZECKSQQU-HZPDHXFCSA-N 2 2 316.449 0.862 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](CO)C3)cc2)CC1 ZINC000775689265 668866656 /nfs/dbraw/zinc/86/66/56/668866656.db2.gz BERIXEDBFLUSLR-QGZVFWFLSA-N 2 2 305.422 0.632 20 10 DCCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](CO)C3)cc2)CC1 ZINC000775689265 668866658 /nfs/dbraw/zinc/86/66/58/668866658.db2.gz BERIXEDBFLUSLR-QGZVFWFLSA-N 2 2 305.422 0.632 20 10 DCCDLP