smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@@H](O)C[C@@H]2CO)C1 ZINC000683496555 772025914 /nfs/dbraw/zinc/02/59/14/772025914.db2.gz HBPNBILSSDNLSY-CVEARBPZSA-N 1 1 371.481 1.362 20 10 FDCDMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000276232413 776903475 /nfs/dbraw/zinc/90/34/75/776903475.db2.gz KSBBRSKTWLWCKJ-FQEVSTJZSA-N 1 1 372.513 1.846 20 10 FDCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000276220084 776904281 /nfs/dbraw/zinc/90/42/81/776904281.db2.gz WYTFUYPCPGEOLX-GFCCVEGCSA-N 1 1 369.421 1.729 20 10 FDCDMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000276220084 776904284 /nfs/dbraw/zinc/90/42/84/776904284.db2.gz WYTFUYPCPGEOLX-GFCCVEGCSA-N 1 1 369.421 1.729 20 10 FDCDMO COCCC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000891513685 778177444 /nfs/dbraw/zinc/17/74/44/778177444.db2.gz MGOHGMCOWYQWEE-CQSZACIVSA-N 1 1 373.471 1.435 20 10 FDCDMO COCCC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000891513685 778177451 /nfs/dbraw/zinc/17/74/51/778177451.db2.gz MGOHGMCOWYQWEE-CQSZACIVSA-N 1 1 373.471 1.435 20 10 FDCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000066475499 786933048 /nfs/dbraw/zinc/93/30/48/786933048.db2.gz ZDBOIFGMAONQBX-ZIFCJYIRSA-N 1 1 363.502 1.287 20 10 FDCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000066475499 786933050 /nfs/dbraw/zinc/93/30/50/786933050.db2.gz ZDBOIFGMAONQBX-ZIFCJYIRSA-N 1 1 363.502 1.287 20 10 FDCDMO COc1cccc(C[N@@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)c1O ZINC000378353249 793999628 /nfs/dbraw/zinc/99/96/28/793999628.db2.gz YRCPWLXTTZLMGK-UHFFFAOYSA-N 1 1 361.486 1.919 20 10 FDCDMO O=C(NCCCSc1nccs1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893646816 808586291 /nfs/dbraw/zinc/58/62/91/808586291.db2.gz WFPQPPCLJOTPKM-KBPBESRZSA-N 1 1 370.544 1.866 20 10 FDCDMO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NC(CO)(CO)CO)N=[N+]=[N-] ZINC001167926266 810732278 /nfs/dbraw/zinc/73/22/78/810732278.db2.gz GYJFNLXQSVTNKY-MLPAPPSSSA-N 1 1 365.390 1.040 20 10 FDCDMO CN(C)c1ccc([C@@H](CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)[NH+](C)C)cc1 ZINC000894957019 819392152 /nfs/dbraw/zinc/39/21/52/819392152.db2.gz YMDLKLDYJZNCDF-DNVCBOLYSA-N 1 1 370.501 1.935 20 10 FDCDMO COC(=O)c1c(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)c2cc(F)ccc2n1C ZINC000895014972 819464456 /nfs/dbraw/zinc/46/44/56/819464456.db2.gz QRRHZPMXDOBBFY-BZNIZROVSA-N 1 1 350.390 1.279 20 10 FDCDMO COC(=O)c1c(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c2cc(F)ccc2n1C ZINC000895014972 819464459 /nfs/dbraw/zinc/46/44/59/819464459.db2.gz QRRHZPMXDOBBFY-BZNIZROVSA-N 1 1 350.390 1.279 20 10 FDCDMO Cc1nnc(CN2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)[nH]1 ZINC000895268059 822354630 /nfs/dbraw/zinc/35/46/30/822354630.db2.gz ZMJGJHBCKMYIJF-UHFFFAOYSA-N 1 1 356.474 1.268 20 10 FDCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000895606986 822670332 /nfs/dbraw/zinc/67/03/32/822670332.db2.gz ISHXMUCBXHJFBZ-PKOBYXMFSA-N 1 1 365.543 1.884 20 10 FDCDMO Cc1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c(C)n1-c1ccccn1 ZINC000896568608 824609146 /nfs/dbraw/zinc/60/91/46/824609146.db2.gz AYEVHPOQJWWNNT-CRAIPNDOSA-N 1 1 355.486 1.853 20 10 FDCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)c1O ZINC000897061689 826848092 /nfs/dbraw/zinc/84/80/92/826848092.db2.gz NFAZAGRIUYDQFJ-JTQLQIEISA-N 1 1 363.277 1.574 20 10 FDCDMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCCC34CCOCC4)CC2)cc1 ZINC000371417516 829738636 /nfs/dbraw/zinc/73/86/36/829738636.db2.gz WDTNQGODYNNNFM-UHFFFAOYSA-N 1 1 373.497 1.989 20 10 FDCDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc2cc(O)c(O)cc2s1 ZINC000897876071 840529733 /nfs/dbraw/zinc/52/97/33/840529733.db2.gz KFFCVWBOQPUMIT-LBPRGKRZSA-N 1 1 350.440 1.889 20 10 FDCDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842050323 840904221 /nfs/dbraw/zinc/90/42/21/840904221.db2.gz UUDZMIMVOXVGNM-OWCLPIDISA-N 1 1 360.502 1.410 20 10 FDCDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842050325 840904482 /nfs/dbraw/zinc/90/44/82/840904482.db2.gz UUDZMIMVOXVGNM-XHSDSOJGSA-N 1 1 360.502 1.410 20 10 FDCDMO CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000156492848 862507430 /nfs/dbraw/zinc/50/74/30/862507430.db2.gz SUTZTDVEIHZXHF-GOSISDBHSA-N 1 1 360.502 1.511 20 10 FDCDMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1 ZINC000907274965 853977231 /nfs/dbraw/zinc/97/72/31/853977231.db2.gz SNQNSHNCPRAHFA-UKRRQHHQSA-N 1 1 364.442 1.420 20 10 FDCDMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1 ZINC000907274965 853977235 /nfs/dbraw/zinc/97/72/35/853977235.db2.gz SNQNSHNCPRAHFA-UKRRQHHQSA-N 1 1 364.442 1.420 20 10 FDCDMO COc1ccc(N2CC[C@H](CNC(=O)C[C@@]3(O)CCC[N@@H+](C)C3)C2)cc1 ZINC000911277931 858398604 /nfs/dbraw/zinc/39/86/04/858398604.db2.gz YCWNUXLCIAWEJO-UZLBHIALSA-N 1 1 361.486 1.485 20 10 FDCDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000911262628 858414415 /nfs/dbraw/zinc/41/44/15/858414415.db2.gz RGFMGKHPPROWFV-INIZCTEOSA-N 1 1 371.437 1.832 20 10 FDCDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc3cccnc3c2O)C1 ZINC000911262628 858414418 /nfs/dbraw/zinc/41/44/18/858414418.db2.gz RGFMGKHPPROWFV-INIZCTEOSA-N 1 1 371.437 1.832 20 10 FDCDMO Oc1ccccc1C[N@@H+](C[C@H](O)COC[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000916633026 881857197 /nfs/dbraw/zinc/85/71/97/881857197.db2.gz FLTOWHKDHJEOCZ-GBESFXJTSA-N 1 1 365.470 1.930 20 10 FDCDMO COc1ccc(N2CCN(CCCNC(=O)C[N@H+](C)C3CCC3)CC2)cc1 ZINC000173914902 866163522 /nfs/dbraw/zinc/16/35/22/866163522.db2.gz BJLJKESFYDNUKJ-UHFFFAOYSA-N 1 1 374.529 1.808 20 10 FDCDMO COc1ccc(N2CCN(CCCNC(=O)C[N@@H+](C)C3CCC3)CC2)cc1 ZINC000173914902 866163531 /nfs/dbraw/zinc/16/35/31/866163531.db2.gz BJLJKESFYDNUKJ-UHFFFAOYSA-N 1 1 374.529 1.808 20 10 FDCDMO Cc1cc(C(=O)NCC[N@H+](C)CCOCCO)c(C)n1-c1ccccn1 ZINC000922124400 872249239 /nfs/dbraw/zinc/24/92/39/872249239.db2.gz YKJSEANECYCITM-UHFFFAOYSA-N 1 1 360.458 1.160 20 10 FDCDMO C[N@H+]1CC[C@H]1CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000922823410 879420648 /nfs/dbraw/zinc/42/06/48/879420648.db2.gz LZQGZDXGCYZQKC-ZDUSSCGKSA-N 1 1 354.401 1.305 20 10 FDCDMO CS(=O)(=O)NC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000703117838 884444645 /nfs/dbraw/zinc/44/46/45/884444645.db2.gz FMCXCUUBZAOYTF-UHFFFAOYSA-N 1 1 363.277 1.668 20 10 FDCDMO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCc4n[nH]nc43)cc2)CC1 ZINC000918847051 884967472 /nfs/dbraw/zinc/96/74/72/884967472.db2.gz XBWHANKDGXIXHR-MRXNPFEDSA-N 1 1 354.458 1.293 20 10 FDCDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785424560 902710664 /nfs/dbraw/zinc/71/06/64/902710664.db2.gz PVNJRUVWVIYAMI-QGZVFWFLSA-N 1 1 360.502 1.750 20 10 FDCDMO COc1ccc(O)c(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000734064955 922880151 /nfs/dbraw/zinc/88/01/51/922880151.db2.gz OCMSCYYMJMJBQQ-INIZCTEOSA-N 1 1 351.447 1.557 20 10 FDCDMO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000739049019 925222203 /nfs/dbraw/zinc/22/22/03/925222203.db2.gz LYQDURVSCNUXDU-UONOGXRCSA-N 1 1 351.447 1.729 20 10 FDCDMO S=C(NCCC[NH+]1CCOCC1)NCc1ccc(N2CC=CC2)cc1 ZINC000740632442 925407368 /nfs/dbraw/zinc/40/73/68/925407368.db2.gz RNPJGMJUUFDSJF-UHFFFAOYSA-N 1 1 360.527 1.749 20 10 FDCDMO COC[C@H](C)NC(=S)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000742910804 926207260 /nfs/dbraw/zinc/20/72/60/926207260.db2.gz OWWZWKHHRWHCII-HNNXBMFYSA-N 1 1 366.531 1.316 20 10 FDCDMO COc1ccc(N2CC[NH+](CCNC(=O)COC3(C)CCC3)CC2)cc1 ZINC000746148024 927640251 /nfs/dbraw/zinc/64/02/51/927640251.db2.gz LKNWZDLBEWATQF-UHFFFAOYSA-N 1 1 361.486 1.893 20 10 FDCDMO O=S1(=O)CCC(O)(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000767426897 929275418 /nfs/dbraw/zinc/27/54/18/929275418.db2.gz VKARUPOKAKCPQF-INIZCTEOSA-N 1 1 369.483 1.313 20 10 FDCDMO NC(=O)C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000771054593 930403379 /nfs/dbraw/zinc/40/33/79/930403379.db2.gz AHCIZRJMPGNZHH-CYBMUJFWSA-N 1 1 351.834 1.392 20 10 FDCDMO CN1CCN(c2ccc(C[NH2+]C3CCN(C(=O)C4CC4)CC3)cc2)CC1 ZINC000771823768 930927493 /nfs/dbraw/zinc/92/74/93/930927493.db2.gz QTYRSBQDUNBIDN-UHFFFAOYSA-N 1 1 356.514 1.929 20 10 FDCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788560023 932731850 /nfs/dbraw/zinc/73/18/50/932731850.db2.gz ANXBWMABSQQTSX-IRXDYDNUSA-N 1 1 359.470 1.874 20 10 FDCDMO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000788583422 932747282 /nfs/dbraw/zinc/74/72/82/932747282.db2.gz KEZPFKQNVZWBHA-IEBWSBKVSA-N 1 1 368.481 1.422 20 10 FDCDMO C[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC000788929114 932865324 /nfs/dbraw/zinc/86/53/24/932865324.db2.gz HDAHZPBZKRLNDV-DOTOQJQBSA-N 1 1 358.486 1.502 20 10 FDCDMO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000788954994 932887537 /nfs/dbraw/zinc/88/75/37/932887537.db2.gz OQENHPMWLODKOG-WBVHZDCISA-N 1 1 360.502 1.748 20 10 FDCDMO CCN1CC[NH+](CCC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000804738053 938561034 /nfs/dbraw/zinc/56/10/34/938561034.db2.gz AHYSOSMQNSCTCW-UHFFFAOYSA-N 1 1 370.291 1.799 20 10 FDCDMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807290066 940304042 /nfs/dbraw/zinc/30/40/42/940304042.db2.gz CPNHBJPJLFBTTB-SFHVURJKSA-N 1 1 356.470 1.280 20 10 FDCDMO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000807676634 940453152 /nfs/dbraw/zinc/45/31/52/940453152.db2.gz HZRGJFCTNOGQKW-OFQRWUPVSA-N 1 1 358.486 1.671 20 10 FDCDMO C[C@H](NC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000807676632 940453290 /nfs/dbraw/zinc/45/32/90/940453290.db2.gz HZRGJFCTNOGQKW-DZKIICNBSA-N 1 1 358.486 1.671 20 10 FDCDMO C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000807677423 940453567 /nfs/dbraw/zinc/45/35/67/940453567.db2.gz OPCCVNUWCKXWHX-MPGHIAIKSA-N 1 1 360.502 1.871 20 10 FDCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](C(=O)N4CCCC4)C3)cc2)CC1 ZINC000809770960 940893114 /nfs/dbraw/zinc/89/31/14/940893114.db2.gz BWRAXQCBFISEIU-IBGZPJMESA-N 1 1 356.514 1.883 20 10 FDCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H](C(=O)N4CCCC4)C3)cc2)CC1 ZINC000809770960 940893117 /nfs/dbraw/zinc/89/31/17/940893117.db2.gz BWRAXQCBFISEIU-IBGZPJMESA-N 1 1 356.514 1.883 20 10 FDCDMO CCOc1ccc(C[N@H+]2CCCN(S(=O)(=O)N(C)C)CC2)c(O)c1 ZINC000811516666 941137779 /nfs/dbraw/zinc/13/77/79/941137779.db2.gz RWSMCQKVIBWONU-UHFFFAOYSA-N 1 1 357.476 1.105 20 10 FDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](O)CC13CCC3)cc2=O ZINC000817290274 942661453 /nfs/dbraw/zinc/66/14/53/942661453.db2.gz IIFFGUYPCQXHGU-CYBMUJFWSA-N 1 1 360.414 1.491 20 10 FDCDMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000817705864 942900696 /nfs/dbraw/zinc/90/06/96/942900696.db2.gz MJOZRYBFHJAWOZ-GOSISDBHSA-N 1 1 372.513 1.751 20 10 FDCDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCCCSc1nccs1 ZINC000817822869 943028227 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361.486 1.842 20 10 FDCDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)[C@H]2C1 ZINC000272508421 537288075 /nfs/dbraw/zinc/28/80/75/537288075.db2.gz WZGOGPFZNCJGLK-HKUYNNGSSA-N 1 1 358.486 1.759 20 10 FDCDMO COc1c(O)c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000278279443 537291214 /nfs/dbraw/zinc/29/12/14/537291214.db2.gz SUAQEHAMMMYKOH-AWEZNQCLSA-N 1 1 351.403 1.606 20 10 FDCDMO COc1c(O)c(C[N@H+]2CCC[C@H]2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000278279443 537291222 /nfs/dbraw/zinc/29/12/22/537291222.db2.gz SUAQEHAMMMYKOH-AWEZNQCLSA-N 1 1 351.403 1.606 20 10 FDCDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278568973 537339931 /nfs/dbraw/zinc/33/99/31/537339931.db2.gz BSFMLTMBKJQBKQ-JSGCOSHPSA-N 1 1 370.402 1.155 20 10 FDCDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000283670131 537385145 /nfs/dbraw/zinc/38/51/45/537385145.db2.gz YSSHCNVPIMTJOP-KRWDZBQOSA-N 1 1 360.502 1.463 20 10 FDCDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cccc(O)c3O)CC2)CC1 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FDCDMO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893053629 792669927 /nfs/dbraw/zinc/66/99/27/792669927.db2.gz OSVMBVPDOIDPCY-OALUTQOASA-N 1 1 360.502 1.802 20 10 FDCDMO Cc1cc(C[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000124050441 800052345 /nfs/dbraw/zinc/05/23/45/800052345.db2.gz KZBYOPGDNWKFOK-UHFFFAOYSA-N 1 1 373.497 1.921 20 10 FDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)CCCNC(=O)C2CCC2)cc1 ZINC000760001008 810640082 /nfs/dbraw/zinc/64/00/82/810640082.db2.gz YACOAOJSAAZJFV-UHFFFAOYSA-N 1 1 374.529 1.949 20 10 FDCDMO COc1ccc(N2CC[NH+](CCN3C(=O)N4CCC[C@@]4(C)C3=O)CC2)cc1 ZINC000272442895 814706231 /nfs/dbraw/zinc/70/62/31/814706231.db2.gz OLSDKVXPCNQQOE-FQEVSTJZSA-N 1 1 372.469 1.634 20 10 FDCDMO COC(=O)c1c(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)c2cc(F)ccc2n1C ZINC000895014976 819464250 /nfs/dbraw/zinc/46/42/50/819464250.db2.gz QRRHZPMXDOBBFY-MEDUHNTESA-N 1 1 350.390 1.279 20 10 FDCDMO COC(=O)c1c(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c2cc(F)ccc2n1C ZINC000895014976 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/nfs/dbraw/zinc/07/17/18/796071718.db2.gz SCVSWHLPGQDUKE-UYAOXDASSA-N 1 1 363.502 1.025 20 10 FDCDMO COc1ccc(N2CC[NH+](CCN3C(=O)N[C@H](CC(C)C)C3=O)CC2)cc1 ZINC000272348855 814666240 /nfs/dbraw/zinc/66/62/40/814666240.db2.gz FLRMROALLYKPAI-GOSISDBHSA-N 1 1 374.485 1.784 20 10 FDCDMO COCCC(=O)N1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273510295 814795928 /nfs/dbraw/zinc/79/59/28/814795928.db2.gz RPBCFPDIIVARQG-CYBMUJFWSA-N 1 1 364.442 1.857 20 10 FDCDMO O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729497818 819864457 /nfs/dbraw/zinc/86/44/57/819864457.db2.gz CUQFRFRVVWBDNB-MOPGFXCFSA-N 1 1 374.485 1.186 20 10 FDCDMO Cc1nnc(CN2CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)CC2)[nH]1 ZINC000895263039 822298395 /nfs/dbraw/zinc/29/83/95/822298395.db2.gz PNNQDTHRMNTCKE-UHFFFAOYSA-N 1 1 370.501 1.392 20 10 FDCDMO C[C@H]1CC[N@@H+](CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000895876379 822777032 /nfs/dbraw/zinc/77/70/32/822777032.db2.gz FBDDYGOKNHINAK-INIZCTEOSA-N 1 1 360.502 1.789 20 10 FDCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000897063915 826868435 /nfs/dbraw/zinc/86/84/35/826868435.db2.gz WSVLGPOFJGTTTG-NSHDSACASA-N 1 1 365.421 1.882 20 10 FDCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000527160410 828974673 /nfs/dbraw/zinc/97/46/73/828974673.db2.gz GBLJYQMGVJQHRB-HNNXBMFYSA-N 1 1 357.502 1.922 20 10 FDCDMO O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245747694 835644748 /nfs/dbraw/zinc/64/47/48/835644748.db2.gz SVUWNABIBMVMOZ-AZGCOUAMSA-N 1 1 368.433 1.863 20 10 FDCDMO CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000898086118 840770235 /nfs/dbraw/zinc/77/02/35/840770235.db2.gz JZZMHEUOBZHDOW-CRAIPNDOSA-N 1 1 360.502 1.319 20 10 FDCDMO CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000898086118 840770243 /nfs/dbraw/zinc/77/02/43/840770243.db2.gz JZZMHEUOBZHDOW-CRAIPNDOSA-N 1 1 360.502 1.319 20 10 FDCDMO Cc1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c(C)n1-c1ccc(F)cc1 ZINC000913195614 861653597 /nfs/dbraw/zinc/65/35/97/861653597.db2.gz HFBKVHUIUJGGNJ-LJQANCHMSA-N 1 1 361.417 1.314 20 10 FDCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000906432914 852866185 /nfs/dbraw/zinc/86/61/85/852866185.db2.gz DCYXOCDJOQOVEB-LPHOPBHVSA-N 1 1 361.486 1.749 20 10 FDCDMO CN(C)c1ccc([C@H](CNc2nccc(S(C)(=O)=O)n2)[NH+](C)C)cc1 ZINC000912359387 859647361 /nfs/dbraw/zinc/64/73/61/859647361.db2.gz NTHRIUUXZAGTIR-HNNXBMFYSA-N 1 1 363.487 1.661 20 10 FDCDMO C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000914242468 871993661 /nfs/dbraw/zinc/99/36/61/871993661.db2.gz LAXICRNWWDIPBS-BBRMVZONSA-N 1 1 350.438 1.554 20 10 FDCDMO C[C@@H]1C[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[N@@H+]1C1CC1 ZINC000765981593 877404068 /nfs/dbraw/zinc/40/40/68/877404068.db2.gz XBVJYOKTWKWWNZ-NVXWUHKLSA-N 1 1 363.527 1.636 20 10 FDCDMO C[C@@H]1C[C@@H](NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C[N@H+]1C1CC1 ZINC000765981593 877404070 /nfs/dbraw/zinc/40/40/70/877404070.db2.gz XBVJYOKTWKWWNZ-NVXWUHKLSA-N 1 1 363.527 1.636 20 10 FDCDMO CCCOc1ccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1C ZINC000922488486 878323623 /nfs/dbraw/zinc/32/36/23/878323623.db2.gz DDEUFIQMXCFJCP-UHFFFAOYSA-N 1 1 362.517 1.931 20 10 FDCDMO CN(C)c1ccc(/C=C/C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000922492883 878356326 /nfs/dbraw/zinc/35/63/26/878356326.db2.gz HCBZUPWSUNTKCC-AATRIKPKSA-N 1 1 359.517 1.413 20 10 FDCDMO O=C(NCc1c(O)cccc1F)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000921493135 888035674 /nfs/dbraw/zinc/03/56/74/888035674.db2.gz IPPAHWQRVIAHCX-HOTGVXAUSA-N 1 1 351.422 1.974 20 10 FDCDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@@]34CCOC4)CC2)cc1 ZINC000763753163 899523865 /nfs/dbraw/zinc/52/38/65/899523865.db2.gz GFLMEXUIFNZEGJ-AZUAARDMSA-N 1 1 359.470 1.360 20 10 FDCDMO C[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1ccc(N2CCOCC2)cc1 ZINC000764000341 901946727 /nfs/dbraw/zinc/94/67/27/901946727.db2.gz XJEULJSEKUAMKN-LPHOPBHVSA-N 1 1 358.486 1.090 20 10 FDCDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cccnn3)CC2)cc1 ZINC000764206253 904031909 /nfs/dbraw/zinc/03/19/09/904031909.db2.gz PXFPYDHWAHZNJI-UHFFFAOYSA-N 1 1 356.430 1.429 20 10 FDCDMO CCC[N@H+](C)CC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730286654 916478193 /nfs/dbraw/zinc/47/81/93/916478193.db2.gz UEKPERZCAQNSDH-UHFFFAOYSA-N 1 1 350.482 1.926 20 10 FDCDMO CCC[N@@H+](C)CC(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000730286654 916478196 /nfs/dbraw/zinc/47/81/96/916478196.db2.gz UEKPERZCAQNSDH-UHFFFAOYSA-N 1 1 350.482 1.926 20 10 FDCDMO COC[C@@H](C)NC(=O)NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000732204896 919246695 /nfs/dbraw/zinc/24/66/95/919246695.db2.gz VRXYEFGATXECNJ-CQSZACIVSA-N 1 1 363.458 1.998 20 10 FDCDMO COC[C@H](C)NC(=O)NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000732204893 919247407 /nfs/dbraw/zinc/24/74/07/919247407.db2.gz VRXYEFGATXECNJ-AWEZNQCLSA-N 1 1 363.458 1.998 20 10 FDCDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000732464210 919642136 /nfs/dbraw/zinc/64/21/36/919642136.db2.gz ZTLZCINIUFUZOS-ZIAGYGMSSA-N 1 1 351.447 1.872 20 10 FDCDMO COC(=O)/C=C\c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000770437743 930028306 /nfs/dbraw/zinc/02/83/06/930028306.db2.gz XAVBENZBAWGQJD-UYWPIULCSA-N 1 1 361.398 1.692 20 10 FDCDMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000787668184 932363045 /nfs/dbraw/zinc/36/30/45/932363045.db2.gz DSYWICJGLVZEAK-ZDUSSCGKSA-N 1 1 370.544 1.590 20 10 FDCDMO O=C(NCCCSc1nccs1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000790277406 933442687 /nfs/dbraw/zinc/44/26/87/933442687.db2.gz XHJOVUVGYOKXKT-STQMWFEESA-N 1 1 368.528 1.485 20 10 FDCDMO O=C(NCc1cc(Br)ccc1O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000804735863 938559222 /nfs/dbraw/zinc/55/92/22/938559222.db2.gz KGLHRHRAGXAGGJ-CYBMUJFWSA-N 1 1 354.248 1.161 20 10 FDCDMO CC(=O)NCC[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000805821991 938832680 /nfs/dbraw/zinc/83/26/80/938832680.db2.gz HLTRDABEMJNFHU-SFHVURJKSA-N 1 1 374.529 1.949 20 10 FDCDMO CCCCC[C@@H](O)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000822823102 945260723 /nfs/dbraw/zinc/26/07/23/945260723.db2.gz AEJHDSAUVSNTEI-LJQANCHMSA-N 1 1 363.502 1.875 20 10 FDCDMO CN1CCCc2cc(CNC(=O)N3CC[N@@H+](CCO)C(C)(C)C3)ccc21 ZINC000806635808 939993583 /nfs/dbraw/zinc/99/35/83/939993583.db2.gz VPXGWYUJWMIPKG-UHFFFAOYSA-N 1 1 360.502 1.667 20 10 FDCDMO C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H](C)C1 ZINC000806636301 939993608 /nfs/dbraw/zinc/99/36/08/939993608.db2.gz YHUXRSRVFWHETG-JKSUJKDBSA-N 1 1 360.502 1.666 20 10 FDCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000807100645 940249579 /nfs/dbraw/zinc/24/95/79/940249579.db2.gz MLJFPPPNCVWOGL-ZBFHGGJFSA-N 1 1 358.486 1.419 20 10 FDCDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807673750 940451904 /nfs/dbraw/zinc/45/19/04/940451904.db2.gz YJLTXIPSDXLWKG-QAPCUYQASA-N 1 1 360.502 1.728 20 10 FDCDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807673750 940451907 /nfs/dbraw/zinc/45/19/07/940451907.db2.gz YJLTXIPSDXLWKG-QAPCUYQASA-N 1 1 360.502 1.728 20 10 FDCDMO CC(C)n1cc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nn1 ZINC000808381631 940543634 /nfs/dbraw/zinc/54/36/34/940543634.db2.gz RKWGUGWFUUWWDK-MRXNPFEDSA-N 1 1 356.474 1.851 20 10 FDCDMO COc1cccc(O)c1C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000809785165 940902122 /nfs/dbraw/zinc/90/21/22/940902122.db2.gz RPZNSIUEQYRERF-CYBMUJFWSA-N 1 1 354.472 1.695 20 10 FDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H](CO)C[C@H](C)C3)CC2)cc1 ZINC000817277414 942677849 /nfs/dbraw/zinc/67/78/49/942677849.db2.gz HWNCGAJEJHKSRV-DLBZAZTESA-N 1 1 361.486 1.294 20 10 FDCDMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000817705867 942900769 /nfs/dbraw/zinc/90/07/69/942900769.db2.gz MJOZRYBFHJAWOZ-SFHVURJKSA-N 1 1 372.513 1.751 20 10 FDCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000817763077 942953852 /nfs/dbraw/zinc/95/38/52/942953852.db2.gz ZAPQBPLIRXXDTR-SFHVURJKSA-N 1 1 360.502 1.654 20 10 FDCDMO CCN1CCN(c2ccc(C[NH2+]CCS(=O)(=O)CC)cc2F)CC1 ZINC000819033047 943409677 /nfs/dbraw/zinc/40/96/77/943409677.db2.gz LHLRQSNFOCNWKY-UHFFFAOYSA-N 1 1 357.495 1.492 20 10 FDCDMO C[NH+]1CCN(C[C@@H](O)CNc2ccccc2OC[C@@H]2CCCCO2)CC1 ZINC000819427306 943582674 /nfs/dbraw/zinc/58/26/74/943582674.db2.gz SESJKONJCBSLAV-ROUUACIJSA-N 1 1 363.502 1.655 20 10 FDCDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823523467 945796560 /nfs/dbraw/zinc/79/65/60/945796560.db2.gz FWYHYAFEFYDXLQ-KRWDZBQOSA-N 1 1 360.502 1.883 20 10 FDCDMO CCCn1nccc1C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000824285286 946342645 /nfs/dbraw/zinc/34/26/45/946342645.db2.gz DJSACBWIVRROSN-UHFFFAOYSA-N 1 1 371.485 1.854 20 10 FDCDMO C[N@@H+](CCN1CCCS1(=O)=O)Cc1ccc(Br)cc1O ZINC000824912852 946854145 /nfs/dbraw/zinc/85/41/45/946854145.db2.gz BKTUHPJNSLSTEV-UHFFFAOYSA-N 1 1 363.277 1.622 20 10 FDCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000856719612 971346729 /nfs/dbraw/zinc/34/67/29/971346729.db2.gz 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350.438 1.554 20 10 FDCDMO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCCS2(=O)=O)[NH+](C)C)cc1 ZINC000891247994 774099850 /nfs/dbraw/zinc/09/98/50/774099850.db2.gz JSSLLWGVCNTMSJ-IRXDYDNUSA-N 1 1 367.515 1.439 20 10 FDCDMO Cc1nnc(SCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[nH]1 ZINC000891254616 774147771 /nfs/dbraw/zinc/14/77/71/774147771.db2.gz ZNFAKTSCYHKMQK-OAHLLOKOSA-N 1 1 362.503 1.690 20 10 FDCDMO Cc1n[nH]c(SCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891254616 774147777 /nfs/dbraw/zinc/14/77/77/774147777.db2.gz ZNFAKTSCYHKMQK-OAHLLOKOSA-N 1 1 362.503 1.690 20 10 FDCDMO COC1CCN(c2ccc(CN3CCN(C)CC[N@H+](C)CC3)cc2)CC1 ZINC000933990686 780514642 /nfs/dbraw/zinc/51/46/42/780514642.db2.gz OSQGCYDGWQELOO-UHFFFAOYSA-N 1 1 360.546 1.981 20 10 FDCDMO COC1CCN(c2ccc(CN3CCN(C)CC[N@@H+](C)CC3)cc2)CC1 ZINC000933990686 780514654 /nfs/dbraw/zinc/51/46/54/780514654.db2.gz OSQGCYDGWQELOO-UHFFFAOYSA-N 1 1 360.546 1.981 20 10 FDCDMO CN1CCN(c2ccc(CNC(=O)N[C@@H](C[NH3+])C3CCCC3)cc2)CC1 ZINC000892093973 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COc1ccc(N2CCC[N@@H+](CCCOC(=O)NC(N)=O)CC2)cc1 ZINC000378278535 678733944 /nfs/dbraw/zinc/73/39/44/678733944.db2.gz YNNCIQVOILASMJ-UHFFFAOYSA-N 1 1 350.419 1.402 20 10 FDCDMO C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253482 774144190 /nfs/dbraw/zinc/14/41/90/774144190.db2.gz SRJGFXAXIJXRIR-CJNGLKHVSA-N 1 1 355.504 1.152 20 10 FDCDMO CN(C)c1ccc([C@@H](CNC(=O)CN(C)[C@H]2CCSC2)[NH+](C)C)cc1 ZINC000891254625 774147480 /nfs/dbraw/zinc/14/74/80/774147480.db2.gz ZNOFHCLVTHWLPQ-ZWKOTPCHSA-N 1 1 364.559 1.909 20 10 FDCDMO CCN1CCN(c2ccc(CNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2F)CC1 ZINC000891528218 778221920 /nfs/dbraw/zinc/22/19/20/778221920.db2.gz MYRUJKZKLXVPFK-IYBDPMFKSA-N 1 1 363.481 1.504 20 10 FDCDMO C[N@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)[C@@H]2C1 ZINC000892115750 781588264 /nfs/dbraw/zinc/58/82/64/781588264.db2.gz SGWAUUDGXNZNRU-MAUKXSAKSA-N 1 1 362.449 1.508 20 10 FDCDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000892938375 791791245 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361.486 1.639 20 10 FDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC1CCC1)[C@H](C)CO)cc2=O ZINC000280563423 811861722 /nfs/dbraw/zinc/86/17/22/811861722.db2.gz RISKJWOJJFWFRP-GFCCVEGCSA-N 1 1 362.430 1.595 20 10 FDCDMO COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)C2)cc1 ZINC000895435550 822594528 /nfs/dbraw/zinc/59/45/28/822594528.db2.gz IEUAQGUEJYDWSA-MDZRGWNJSA-N 1 1 358.486 1.867 20 10 FDCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCS(=O)(=O)CC3)cc2)CC1 ZINC000895607579 822670320 /nfs/dbraw/zinc/67/03/20/822670320.db2.gz QGFBZARBLPPFGD-QGZVFWFLSA-N 1 1 351.516 1.495 20 10 FDCDMO OCCOCC1(O)CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000895827337 822754624 /nfs/dbraw/zinc/75/46/24/822754624.db2.gz NYHQUJROIAVRSV-UHFFFAOYSA-N 1 1 360.248 1.491 20 10 FDCDMO C[N@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)[C@@H]2C1 ZINC000895876268 822776877 /nfs/dbraw/zinc/77/68/77/822776877.db2.gz DHZWLOZQFQISSW-QFBILLFUSA-N 1 1 358.486 1.493 20 10 FDCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000897063914 826867626 /nfs/dbraw/zinc/86/76/26/826867626.db2.gz WSVLGPOFJGTTTG-LLVKDONJSA-N 1 1 365.421 1.882 20 10 FDCDMO COC(=O)C1([C@]2(O)CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)CCC1 ZINC000897699701 840244191 /nfs/dbraw/zinc/24/41/91/840244191.db2.gz IDDXYVNGVQSQRX-IBGZPJMESA-N 1 1 363.410 1.791 20 10 FDCDMO COC(=O)/C=C/c1ccc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000842046855 840918874 /nfs/dbraw/zinc/91/88/74/840918874.db2.gz HJFFGHJIOFFGMG-CXSYMGSUSA-N 1 1 363.414 1.672 20 10 FDCDMO CN(C)c1ccc([C@H](C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)N(C)C)cc1 ZINC000898447248 844714051 /nfs/dbraw/zinc/71/40/51/844714051.db2.gz IBSMNXYAUFLMRN-PMACEKPBSA-N 1 1 372.517 1.916 20 10 FDCDMO O=C(Cc1ccc(O)c(O)c1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC001142613327 845734219 /nfs/dbraw/zinc/73/42/19/845734219.db2.gz RFUKJSDOAVAIQL-UHFFFAOYSA-N 1 1 370.453 1.364 20 10 FDCDMO Cc1nc([C@H](C)NC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n[nH]1 ZINC000899104930 845778397 /nfs/dbraw/zinc/77/83/97/845778397.db2.gz SVJLSLAVKSUSDG-BLLLJJGKSA-N 1 1 359.478 1.842 20 10 FDCDMO C[N@H+]1CC[C@@H](CC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000899471850 846274041 /nfs/dbraw/zinc/27/40/41/846274041.db2.gz BIPWOCOZOMRBEO-INIZCTEOSA-N 1 1 358.486 1.346 20 10 FDCDMO CN1CCN(c2ccc(C[NH2+]C[C@H](O)COC3CCOCC3)cc2)CC1 ZINC000905426717 851932693 /nfs/dbraw/zinc/93/26/93/851932693.db2.gz ICWSTDAXYXFJLJ-IBGZPJMESA-N 1 1 363.502 1.085 20 10 FDCDMO O=S(=O)(CC[NH2+]Cc1cccc(Br)c1O)N1CCCC1 ZINC000721906950 852896742 /nfs/dbraw/zinc/89/67/42/852896742.db2.gz GVSAPBUYJHBOSP-UHFFFAOYSA-N 1 1 363.277 1.670 20 10 FDCDMO CC(C)N1CC[NH+](CCCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 ZINC000907272601 853974874 /nfs/dbraw/zinc/97/48/74/853974874.db2.gz GNUJXEHSNBXUSE-INIZCTEOSA-N 1 1 363.502 1.951 20 10 FDCDMO COc1ccc(N2CC[C@@H](CNC(=O)C[C@]3(O)CCC[N@@H+](C)C3)C2)cc1 ZINC000911277927 858398324 /nfs/dbraw/zinc/39/83/24/858398324.db2.gz YCWNUXLCIAWEJO-OXJNMPFZSA-N 1 1 361.486 1.485 20 10 FDCDMO CC1CCN(c2ccc(CNC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc2)CC1 ZINC000763049995 877685325 /nfs/dbraw/zinc/68/53/25/877685325.db2.gz JXEXUYZEPZKDCE-FQEVSTJZSA-N 1 1 360.502 1.789 20 10 FDCDMO COc1ccc(-n2nnnc2C[NH2+][C@@H]2CCCC[C@H]2NC(=O)C2CC2)cc1 ZINC001085113617 921336989 /nfs/dbraw/zinc/33/69/89/921336989.db2.gz KJFRLJVSGRXGEW-IAGOWNOFSA-N 1 1 370.457 1.598 20 10 FDCDMO CN(C)c1ccc(CNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000734515423 923411960 /nfs/dbraw/zinc/41/19/60/923411960.db2.gz YWDUTLNEFDUICM-IBGZPJMESA-N 1 1 359.518 1.674 20 10 FDCDMO CN(C)c1ccc(C[N@H+](CC(=O)NCC(=O)NC(C)(C)C)C2CC2)cc1 ZINC000771791624 930891934 /nfs/dbraw/zinc/89/19/34/930891934.db2.gz PPEOETZDEIDMEB-UHFFFAOYSA-N 1 1 360.502 1.748 20 10 FDCDMO CN(C)c1ccc(C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)C2CC2)cc1 ZINC000771791624 930891939 /nfs/dbraw/zinc/89/19/39/930891939.db2.gz PPEOETZDEIDMEB-UHFFFAOYSA-N 1 1 360.502 1.748 20 10 FDCDMO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000785985830 931699792 /nfs/dbraw/zinc/69/97/92/931699792.db2.gz RHJFKJVUHYCCNH-QGZVFWFLSA-N 1 1 362.451 1.834 20 10 FDCDMO CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000787670907 932363861 /nfs/dbraw/zinc/36/38/61/932363861.db2.gz NTNULZUISOBNEX-MRXNPFEDSA-N 1 1 361.486 1.979 20 10 FDCDMO COCC1(C)CN(C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000788439989 932694011 /nfs/dbraw/zinc/69/40/11/932694011.db2.gz ZPJHHTKDLLNZRD-SFHVURJKSA-N 1 1 363.502 1.146 20 10 FDCDMO CCCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788913688 932877049 /nfs/dbraw/zinc/87/70/49/932877049.db2.gz YDFJNAQDJQKYAB-UHFFFAOYSA-N 1 1 360.502 1.751 20 10 FDCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000804430120 938431653 /nfs/dbraw/zinc/43/16/53/938431653.db2.gz VEXSROWZLOFVMT-HNNXBMFYSA-N 1 1 360.502 1.700 20 10 FDCDMO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000804733436 938557970 /nfs/dbraw/zinc/55/79/70/938557970.db2.gz HRKYYTPVPPFTHD-SFHVURJKSA-N 1 1 368.481 1.280 20 10 FDCDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCCCSc2nccs2)C[N@H+]1C1CC1 ZINC000806279905 939878402 /nfs/dbraw/zinc/87/84/02/939878402.db2.gz DRJKGFMUPWLHJH-NEPJUHHUSA-N 1 1 368.528 1.483 20 10 FDCDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000806280507 939879912 /nfs/dbraw/zinc/87/99/12/939879912.db2.gz PPJDKNKWIZHPJM-AAEUAGOBSA-N 1 1 368.528 1.340 20 10 FDCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000807101135 940250033 /nfs/dbraw/zinc/25/00/33/940250033.db2.gz QMSBEDAMZWOGAF-DOTOQJQBSA-N 1 1 374.529 1.914 20 10 FDCDMO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809700651 940879921 /nfs/dbraw/zinc/87/99/21/940879921.db2.gz LGKDDRNEGYCBHD-RXVVDRJESA-N 1 1 358.530 1.733 20 10 FDCDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809700651 940879923 /nfs/dbraw/zinc/87/99/23/940879923.db2.gz LGKDDRNEGYCBHD-RXVVDRJESA-N 1 1 358.530 1.733 20 10 FDCDMO CC[C@@H](CNC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)OC ZINC000811869481 941169392 /nfs/dbraw/zinc/16/93/92/941169392.db2.gz PAYGNASHOJSEQG-KRWDZBQOSA-N 1 1 364.490 1.541 20 10 FDCDMO COC[C@H](C)[C@H](C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000812508171 941222662 /nfs/dbraw/zinc/22/26/62/941222662.db2.gz QAMZXHHXBMFIAD-IRXDYDNUSA-N 1 1 363.502 1.852 20 10 FDCDMO Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cn2cc[nH+]c12 ZINC000815328668 941833289 /nfs/dbraw/zinc/83/32/89/941833289.db2.gz CIWULRFSFQDZEH-UHFFFAOYSA-N 1 1 351.410 1.964 20 10 FDCDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(N4CCOCC4)c(F)c3)[C@H]2C1 ZINC000816639095 942282924 /nfs/dbraw/zinc/28/29/24/942282924.db2.gz HPJADPWVLSVVPL-VQTJNVASSA-N 1 1 363.477 1.957 20 10 FDCDMO C[C@@H]1CC[C@H](O)C[N@H+]1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000817286656 942658432 /nfs/dbraw/zinc/65/84/32/942658432.db2.gz XCPTUNGXJPMZQU-ZBFHGGJFSA-N 1 1 365.449 1.124 20 10 FDCDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000817825339 943030292 /nfs/dbraw/zinc/03/02/92/943030292.db2.gz YVTBKYWJVBBUIK-ZDUSSCGKSA-N 1 1 370.544 1.683 20 10 FDCDMO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000817828350 943035857 /nfs/dbraw/zinc/03/58/57/943035857.db2.gz DZUVJDWWEZSVMW-MRXNPFEDSA-N 1 1 360.502 1.525 20 10 FDCDMO Fc1cc(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(F)c1N1CCOCC1 ZINC000817934359 943085474 /nfs/dbraw/zinc/08/54/74/943085474.db2.gz DPAYYCAFLMXJEQ-QZTJIDSGSA-N 1 1 367.440 1.658 20 10 FDCDMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3cnccc3C)CC2)cc1 ZINC000824285814 946295632 /nfs/dbraw/zinc/29/56/32/946295632.db2.gz WIQFNVMAUQSIOX-UHFFFAOYSA-N 1 1 368.481 1.880 20 10 FDCDMO C[N@H+](Cc1ccc(Br)cc1O)C[C@@H](O)CN1CCOCC1 ZINC000824850353 946808217 /nfs/dbraw/zinc/80/82/17/946808217.db2.gz MHPAIKCFQGYHCR-CQSZACIVSA-N 1 1 359.264 1.280 20 10 FDCDMO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000824913776 946856057 /nfs/dbraw/zinc/85/60/57/946856057.db2.gz FLLRNLJYFMJWPQ-GOSISDBHSA-N 1 1 352.500 1.922 20 10 FDCDMO CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000824913776 946856069 /nfs/dbraw/zinc/85/60/69/946856069.db2.gz FLLRNLJYFMJWPQ-GOSISDBHSA-N 1 1 352.500 1.922 20 10 FDCDMO CCC[NH2+][C@H](C)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000844190540 947826163 /nfs/dbraw/zinc/82/61/63/947826163.db2.gz BIQIPFFJNQHJCB-QGZVFWFLSA-N 1 1 362.518 1.712 20 10 FDCDMO COc1ccc(N2CCN(CCCNC(=O)C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000844190995 947826859 /nfs/dbraw/zinc/82/68/59/947826859.db2.gz IKNUBHCLPAWKSI-KRWDZBQOSA-N 1 1 360.502 1.323 20 10 FDCDMO O=C1N(c2cccnc2)CC[C@@]12CC[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509706 949786857 /nfs/dbraw/zinc/78/68/57/949786857.db2.gz JCEPSNSKIHRBIJ-LJQANCHMSA-N 1 1 355.394 1.827 20 10 FDCDMO COc1ccc(N2CCN(C(=O)C[NH+]3CCC(C(C)=O)CC3)CC2)cc1 ZINC000846951763 951722635 /nfs/dbraw/zinc/72/26/35/951722635.db2.gz ADSCXIOJBNJKSY-UHFFFAOYSA-N 1 1 359.470 1.645 20 10 FDCDMO CCOC(=O)c1ccc(C)c(N(C(N)=[NH2+])C(=O)c2cc(O)c(O)c(O)c2)c1 ZINC001148589759 952760314 /nfs/dbraw/zinc/76/03/14/952760314.db2.gz JZADLJWSRKLCGW-UHFFFAOYSA-N 1 1 373.365 1.829 20 10 FDCDMO COc1ccc(N2CCN(C(=O)C[N@H+](C)CCOCC3CC3)CC2)cc1 ZINC000088599837 1013213848 /nfs/dbraw/zinc/21/38/48/1013213848.db2.gz MFFFPGITHMPGLI-UHFFFAOYSA-N 1 1 361.486 1.702 20 10 FDCDMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)CCOCC3CC3)CC2)cc1 ZINC000088599837 1013213862 /nfs/dbraw/zinc/21/38/62/1013213862.db2.gz MFFFPGITHMPGLI-UHFFFAOYSA-N 1 1 361.486 1.702 20 10 FDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](C(C)(C)O)C1)cc2=O ZINC001175975747 963337166 /nfs/dbraw/zinc/33/71/66/963337166.db2.gz ZDMAULMFHMRJPR-GFCCVEGCSA-N 1 1 362.430 1.595 20 10 FDCDMO COc1ccc(N2CC[NH+](CCCNC(=O)C[C@H](C)C(C)=O)CC2)cc1 ZINC001184344392 963556935 /nfs/dbraw/zinc/55/69/35/963556935.db2.gz HLSXVULVKBPXJW-INIZCTEOSA-N 1 1 361.486 1.939 20 10 FDCDMO CC[N@H+]1CCCN(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000852166699 967043010 /nfs/dbraw/zinc/04/30/10/967043010.db2.gz WVZHGXAYSBTCJH-GOSISDBHSA-N 1 1 374.529 1.760 20 10 FDCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000852314257 967211737 /nfs/dbraw/zinc/21/17/37/967211737.db2.gz FHLHHGYFBCNKNN-KRWDZBQOSA-N 1 1 356.474 1.325 20 10 FDCDMO COc1ccc(N2CC[C@H](NC(=O)NCC[N@H+]3CCCOCC3)C2)cc1 ZINC000852355597 967247707 /nfs/dbraw/zinc/24/77/07/967247707.db2.gz JNOSFZYXZKNQRM-INIZCTEOSA-N 1 1 362.474 1.295 20 10 FDCDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H](C)[C@@H]1CCO)cc2=O ZINC000852458654 967340040 /nfs/dbraw/zinc/34/00/40/967340040.db2.gz JOKDOVSNSOONOU-DOMZBBRYSA-N 1 1 362.430 1.595 20 10 FDCDMO COc1ccc(N2CCN(C[C@@H](O)C[N@H+]3CCC[C@@H]3[C@@H](C)O)CC2)cc1 ZINC000852557896 967424856 /nfs/dbraw/zinc/42/48/56/967424856.db2.gz BKBNQTRGCTZTTH-YVWKXTFCSA-N 1 1 363.502 1.023 20 10 FDCDMO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC3(CCCC3=O)CC1)cc2=O ZINC000852631224 967485455 /nfs/dbraw/zinc/48/54/55/967485455.db2.gz NGTZSHAKHGOTDY-UHFFFAOYSA-N 1 1 372.425 1.947 20 10 FDCDMO CCOC(=O)c1cnn2c1[nH]c(C[NH+]1CCC(c3ccon3)CC1)cc2=O ZINC000852673191 967524397 /nfs/dbraw/zinc/52/43/97/967524397.db2.gz MRIUGCCPUFISAL-UHFFFAOYSA-N 1 1 371.397 1.979 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C[C@@H](NC(=O)CNC(=O)C[N@H+](C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000072629593 522338548 /nfs/dbraw/zinc/33/85/48/522338548.db2.gz MVQCTDFXHBFWOC-CQSZACIVSA-N 1 1 373.428 1.957 20 10 FDCDMO C[C@@H](NC(=O)CNC(=O)C[N@@H+](C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000072629593 522338553 /nfs/dbraw/zinc/33/85/53/522338553.db2.gz MVQCTDFXHBFWOC-CQSZACIVSA-N 1 1 373.428 1.957 20 10 FDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000085546148 524362094 /nfs/dbraw/zinc/36/20/94/524362094.db2.gz DWGLPLSZYVSCKL-CQSZACIVSA-N 1 1 357.248 1.834 20 10 FDCDMO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000085546148 524362102 /nfs/dbraw/zinc/36/21/02/524362102.db2.gz DWGLPLSZYVSCKL-CQSZACIVSA-N 1 1 357.248 1.834 20 10 FDCDMO O=C([C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1)N1CCOCC1 ZINC000124459731 524993404 /nfs/dbraw/zinc/99/34/04/524993404.db2.gz PUPPHPSRCYBIAJ-IBGZPJMESA-N 1 1 373.497 1.594 20 10 FDCDMO CCC[N@H+](Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)Cc1ccccc1O ZINC000161530297 525122665 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