smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc2c1C[C@]1(CCCC[N@H+]1CCCC[NH3+])CO2 ZINC000039004138 398557930 /nfs/dbraw/zinc/55/79/30/398557930.db2.gz TXCIYSXYJGGUBU-GOSISDBHSA-N 2 1 304.434 2.594 10 0 DFAEMP C[NH+](C)CCCNC(=O)c1cc2c(s1)C[N@H+](C1CCCC1)C2 ZINC000065238963 184317195 /nfs/dbraw/zinc/31/71/95/184317195.db2.gz HREJJWZJVFGWRT-UHFFFAOYSA-N 2 1 321.490 2.688 10 0 DFAEMP Fc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C[C@H]4CCCO4)C[C@@H]3C2)c1 ZINC000247524098 257119782 /nfs/dbraw/zinc/11/97/82/257119782.db2.gz MNBMJASGVQHPBW-YQVWRLOYSA-N 2 1 318.436 2.758 10 0 DFAEMP Fc1cccc(C[N@H+]2C[C@@H]3CC[NH+](C[C@H]4CCCO4)C[C@@H]3C2)c1 ZINC000247524098 257119783 /nfs/dbraw/zinc/11/97/83/257119783.db2.gz MNBMJASGVQHPBW-YQVWRLOYSA-N 2 1 318.436 2.758 10 0 DFAEMP Fc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@@H]3C2)c1 ZINC000247524098 257119784 /nfs/dbraw/zinc/11/97/84/257119784.db2.gz MNBMJASGVQHPBW-YQVWRLOYSA-N 2 1 318.436 2.758 10 0 DFAEMP Fc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C2)c1 ZINC000247524098 257119785 /nfs/dbraw/zinc/11/97/85/257119785.db2.gz MNBMJASGVQHPBW-YQVWRLOYSA-N 2 1 318.436 2.758 10 0 DFAEMP Cc1nc(C[NH+]2CC[C@@H]3CO[C@@H](C[N@H+](C)C(C)C)[C@H]3C2)cs1 ZINC000503720319 257207663 /nfs/dbraw/zinc/20/76/63/257207663.db2.gz SBUFHSUMCABGFK-PVAVHDDUSA-N 2 1 323.506 2.629 10 0 DFAEMP Cc1nc(C[N@H+]2CC[C@@H]3CO[C@@H](C[NH+](C)C(C)C)[C@H]3C2)cs1 ZINC000503720319 257207665 /nfs/dbraw/zinc/20/76/65/257207665.db2.gz SBUFHSUMCABGFK-PVAVHDDUSA-N 2 1 323.506 2.629 10 0 DFAEMP Cc1nc(C[N@@H+]2CC[C@@H]3CO[C@@H](C[NH+](C)C(C)C)[C@H]3C2)cs1 ZINC000503720319 257207666 /nfs/dbraw/zinc/20/76/66/257207666.db2.gz SBUFHSUMCABGFK-PVAVHDDUSA-N 2 1 323.506 2.629 10 0 DFAEMP Fc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCCO4)C[C@H]3C2)c1 ZINC000503716642 257210032 /nfs/dbraw/zinc/21/00/32/257210032.db2.gz MNBMJASGVQHPBW-LNLFQRSKSA-N 2 1 318.436 2.758 10 0 DFAEMP Fc1cccc(C[N@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCCO4)C[C@H]3C2)c1 ZINC000503716642 257210033 /nfs/dbraw/zinc/21/00/33/257210033.db2.gz MNBMJASGVQHPBW-LNLFQRSKSA-N 2 1 318.436 2.758 10 0 DFAEMP Fc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@H]3C2)c1 ZINC000503716642 257210034 /nfs/dbraw/zinc/21/00/34/257210034.db2.gz MNBMJASGVQHPBW-LNLFQRSKSA-N 2 1 318.436 2.758 10 0 DFAEMP Fc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@H]3C2)c1 ZINC000503716642 257210035 /nfs/dbraw/zinc/21/00/35/257210035.db2.gz MNBMJASGVQHPBW-LNLFQRSKSA-N 2 1 318.436 2.758 10 0 DFAEMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000261558174 146240813 /nfs/dbraw/zinc/24/08/13/146240813.db2.gz XYKXIEPRFXKXEO-NJAFHUGGSA-N 2 1 317.477 2.531 10 0 DFAEMP Cc1ccc2c(C[N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)cc(=O)oc2c1 ZINC000262561529 146373086 /nfs/dbraw/zinc/37/30/86/146373086.db2.gz VPBFMYWVZIYXKB-INIZCTEOSA-N 2 1 300.402 2.661 10 0 DFAEMP Cc1ccc2c(C[N@H+]3CC[C@H]([NH3+])C(C)(C)C3)cc(=O)oc2c1 ZINC000262561529 146373089 /nfs/dbraw/zinc/37/30/89/146373089.db2.gz VPBFMYWVZIYXKB-INIZCTEOSA-N 2 1 300.402 2.661 10 0 DFAEMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261617317 146247960 /nfs/dbraw/zinc/24/79/60/146247960.db2.gz FZFOGUYBZWUEIO-CHWSQXEVSA-N 2 1 300.324 2.627 10 0 DFAEMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261617317 146247963 /nfs/dbraw/zinc/24/79/63/146247963.db2.gz FZFOGUYBZWUEIO-CHWSQXEVSA-N 2 1 300.324 2.627 10 0 DFAEMP CC(C)c1[nH+]ccn1CCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000261960222 534916897 /nfs/dbraw/zinc/91/68/97/534916897.db2.gz HEHLKIHDJCGWFB-UHFFFAOYSA-N 2 1 311.389 2.758 10 0 DFAEMP c1nc2c([nH]1)[C@H](c1cc(C[NH+]3CCCCC3)cs1)[NH2+]CC2 ZINC000065434708 184344922 /nfs/dbraw/zinc/34/49/22/184344922.db2.gz ALZLADKFNTUGCK-INIZCTEOSA-N 2 1 302.447 2.692 10 0 DFAEMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1cccc(Cl)c1 ZINC000262055129 289271932 /nfs/dbraw/zinc/27/19/32/289271932.db2.gz RGOASDLTTXWSGO-LSDHHAIUSA-N 2 1 323.868 2.529 10 0 DFAEMP CC1(C)C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000261600589 146243673 /nfs/dbraw/zinc/24/36/73/146243673.db2.gz BNTXRZGSEZURTI-AWEZNQCLSA-N 2 1 309.841 2.728 10 0 DFAEMP Cn1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000261608572 146245063 /nfs/dbraw/zinc/24/50/63/146245063.db2.gz AZUHHQZUZVUQPA-KRWDZBQOSA-N 2 1 318.852 2.911 10 0 DFAEMP Cn1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000261608572 146245065 /nfs/dbraw/zinc/24/50/65/146245065.db2.gz AZUHHQZUZVUQPA-KRWDZBQOSA-N 2 1 318.852 2.911 10 0 DFAEMP CC1(C)C[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[C@@H]1[NH3+] ZINC000261605069 146245075 /nfs/dbraw/zinc/24/50/75/146245075.db2.gz BAPRJWMNJKBNBN-ROUUACIJSA-N 2 1 318.461 2.804 10 0 DFAEMP CC1(C)C[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[C@@H]1[NH3+] ZINC000261605069 146245077 /nfs/dbraw/zinc/24/50/77/146245077.db2.gz BAPRJWMNJKBNBN-ROUUACIJSA-N 2 1 318.461 2.804 10 0 DFAEMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261758112 146272189 /nfs/dbraw/zinc/27/21/89/146272189.db2.gz LPONZOLXFBNKCB-HNNXBMFYSA-N 2 1 307.413 2.522 10 0 DFAEMP CCCOc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000262493775 146364920 /nfs/dbraw/zinc/36/49/20/146364920.db2.gz LEQRPRZXURFUQR-QGZVFWFLSA-N 2 1 306.450 2.913 10 0 DFAEMP CCC(CC)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000164387812 535107362 /nfs/dbraw/zinc/10/73/62/535107362.db2.gz HGTJZONBVZBOPQ-MSOLQXFVSA-N 2 1 317.477 2.703 10 0 DFAEMP CC[NH+]1CCN(c2nc(C(C)C)c(C[NH2+]C3CC3)s2)CC1 ZINC000082434911 185182288 /nfs/dbraw/zinc/18/22/88/185182288.db2.gz YQXKQBAOOVNZAL-UHFFFAOYSA-N 2 1 308.495 2.660 10 0 DFAEMP C[NH2+]C[C@@H](C)C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000237268407 202211722 /nfs/dbraw/zinc/21/17/22/202211722.db2.gz RISGJBNVAWFGTH-CQSZACIVSA-N 2 1 303.450 2.842 10 0 DFAEMP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CO[C@@H]3C[N@H+](C)C(C)C)C2)n1 ZINC000503717727 257208110 /nfs/dbraw/zinc/20/81/10/257208110.db2.gz AGQIIPAFGUAVFK-BHIYHBOVSA-N 2 1 317.477 2.567 10 0 DFAEMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000261548160 146240083 /nfs/dbraw/zinc/24/00/83/146240083.db2.gz NFBCHLNNXHECSR-LJDSDSDDSA-N 3 1 313.489 2.614 10 0 DFAEMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000261548160 146240086 /nfs/dbraw/zinc/24/00/86/146240086.db2.gz NFBCHLNNXHECSR-LJDSDSDDSA-N 2 1 313.489 2.614 10 0 DFAEMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000261548160 146240089 /nfs/dbraw/zinc/24/00/89/146240089.db2.gz NFBCHLNNXHECSR-LJDSDSDDSA-N 2 1 313.489 2.614 10 0 DFAEMP CC1(C)C[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC[C@H]1[NH3+] ZINC000261605068 146245012 /nfs/dbraw/zinc/24/50/12/146245012.db2.gz BAPRJWMNJKBNBN-QZTJIDSGSA-N 2 1 318.461 2.804 10 0 DFAEMP CC1(C)C[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC[C@H]1[NH3+] ZINC000261605068 146245015 /nfs/dbraw/zinc/24/50/15/146245015.db2.gz BAPRJWMNJKBNBN-QZTJIDSGSA-N 2 1 318.461 2.804 10 0 DFAEMP CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](C[C@H]2CCC[NH2+]C2)C3)n1 ZINC000261614770 146247497 /nfs/dbraw/zinc/24/74/97/146247497.db2.gz BFAHZABJYMCHCB-HDMKZQKVSA-N 2 1 318.465 2.546 10 0 DFAEMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261617318 146248673 /nfs/dbraw/zinc/24/86/73/146248673.db2.gz FZFOGUYBZWUEIO-OLZOCXBDSA-N 2 1 300.324 2.627 10 0 DFAEMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261617318 146248677 /nfs/dbraw/zinc/24/86/77/146248677.db2.gz FZFOGUYBZWUEIO-OLZOCXBDSA-N 2 1 300.324 2.627 10 0 DFAEMP CCOCc1cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)ccc1OC ZINC000261747089 146269253 /nfs/dbraw/zinc/26/92/53/146269253.db2.gz PUAUANGVMCINRK-KRWDZBQOSA-N 2 1 306.450 2.791 10 0 DFAEMP CCOCc1cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)ccc1OC ZINC000261747089 146269255 /nfs/dbraw/zinc/26/92/55/146269255.db2.gz PUAUANGVMCINRK-KRWDZBQOSA-N 2 1 306.450 2.791 10 0 DFAEMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C(C)(C)C3)s2)cn1 ZINC000261997975 146319151 /nfs/dbraw/zinc/31/91/51/146319151.db2.gz SZQULYVVIFNZHO-HNNXBMFYSA-N 2 1 304.463 2.708 10 0 DFAEMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)s2)cn1 ZINC000261997978 146319602 /nfs/dbraw/zinc/31/96/02/146319602.db2.gz SZQULYVVIFNZHO-OAHLLOKOSA-N 2 1 304.463 2.708 10 0 DFAEMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CC1CC[NH+](C2CCCC2)CC1 ZINC000065404264 282215876 /nfs/dbraw/zinc/21/58/76/282215876.db2.gz VHUYFVQZZGNYBV-HNNXBMFYSA-N 3 1 304.482 2.824 10 0 DFAEMP CN(CCC[NH+](C)C)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000020919670 182253632 /nfs/dbraw/zinc/25/36/32/182253632.db2.gz IWUDLLLXTYXDOV-HXUWFJFHSA-N 2 1 317.521 2.967 10 0 DFAEMP c1cnn(CCC[NH2+][C@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000022916699 182340753 /nfs/dbraw/zinc/34/07/53/182340753.db2.gz RLZVZXIXVGRHOV-SFHVURJKSA-N 2 1 304.482 2.908 10 0 DFAEMP c1cnn(CCC[NH2+][C@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000022916699 182340756 /nfs/dbraw/zinc/34/07/56/182340756.db2.gz RLZVZXIXVGRHOV-SFHVURJKSA-N 2 1 304.482 2.908 10 0 DFAEMP CCO[C@@H](C[NH3+])CC[N@@H+](C)Cc1cccc(Br)c1 ZINC000062741005 184252208 /nfs/dbraw/zinc/25/22/08/184252208.db2.gz ABPOSSHVMRDUBF-CQSZACIVSA-N 2 1 315.255 2.635 10 0 DFAEMP Cc1ccc(N2C[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)CC2=O)cc1 ZINC000065428328 184343509 /nfs/dbraw/zinc/34/35/09/184343509.db2.gz DMBPZIDHYQRMLZ-KRWDZBQOSA-N 2 1 315.461 2.563 10 0 DFAEMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CC1CC[NH+](C2CCCC2)CC1 ZINC000065404263 184338023 /nfs/dbraw/zinc/33/80/23/184338023.db2.gz VHUYFVQZZGNYBV-OAHLLOKOSA-N 3 1 304.482 2.824 10 0 DFAEMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000261548163 146239989 /nfs/dbraw/zinc/23/99/89/146239989.db2.gz NFBCHLNNXHECSR-VYJAJWGXSA-N 3 1 313.489 2.614 10 0 DFAEMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000261548163 146239993 /nfs/dbraw/zinc/23/99/93/146239993.db2.gz NFBCHLNNXHECSR-VYJAJWGXSA-N 2 1 313.489 2.614 10 0 DFAEMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000261548163 146239996 /nfs/dbraw/zinc/23/99/96/146239996.db2.gz NFBCHLNNXHECSR-VYJAJWGXSA-N 2 1 313.489 2.614 10 0 DFAEMP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C)c(C)o3)C2)C1 ZINC000011878662 425714554 /nfs/dbraw/zinc/71/45/54/425714554.db2.gz VJFYXSZAZYMYST-GOSISDBHSA-N 2 1 306.450 2.831 10 0 DFAEMP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C)c(C)o3)C2)C1 ZINC000011878662 425714557 /nfs/dbraw/zinc/71/45/57/425714557.db2.gz VJFYXSZAZYMYST-GOSISDBHSA-N 2 1 306.450 2.831 10 0 DFAEMP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C)c(C)o3)C2)C1 ZINC000011878662 425714560 /nfs/dbraw/zinc/71/45/60/425714560.db2.gz VJFYXSZAZYMYST-GOSISDBHSA-N 2 1 306.450 2.831 10 0 DFAEMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C)c(C)o3)C2)C1 ZINC000011878662 425714564 /nfs/dbraw/zinc/71/45/64/425714564.db2.gz VJFYXSZAZYMYST-GOSISDBHSA-N 2 1 306.450 2.831 10 0 DFAEMP Brc1c[nH+]ccc1N1CCC2(CC[NH2+]CC2)CC1 ZINC000310631879 426917910 /nfs/dbraw/zinc/91/79/10/426917910.db2.gz OAHVPGFKVIIECN-UHFFFAOYSA-N 2 1 310.239 2.814 10 0 DFAEMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1cccc(Cl)c1 ZINC000262055123 282232731 /nfs/dbraw/zinc/23/27/31/282232731.db2.gz RGOASDLTTXWSGO-CABCVRRESA-N 2 1 323.868 2.529 10 0 DFAEMP CCN(CC)c1nc[nH+]c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040723207 183124858 /nfs/dbraw/zinc/12/48/58/183124858.db2.gz JKAJXLARKAZSEW-UHFFFAOYSA-N 2 1 320.485 2.626 10 0 DFAEMP Cn1cc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(-c2cccs2)n1 ZINC000261914507 146300194 /nfs/dbraw/zinc/30/01/94/146300194.db2.gz XYFCCDANTQLRGM-CQSZACIVSA-N 2 1 304.463 2.708 10 0 DFAEMP Cn1cc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(-c2cccs2)n1 ZINC000261914507 146300197 /nfs/dbraw/zinc/30/01/97/146300197.db2.gz XYFCCDANTQLRGM-CQSZACIVSA-N 2 1 304.463 2.708 10 0 DFAEMP C[NH2+]C[C@H](C)C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000237089107 202150341 /nfs/dbraw/zinc/15/03/41/202150341.db2.gz RISGJBNVAWFGTH-AWEZNQCLSA-N 2 1 303.450 2.842 10 0 DFAEMP COc1ccc(C[N@H+](C)[C@@H](C)CC(N)=[NH2+])cc1Br ZINC000063092173 184270370 /nfs/dbraw/zinc/27/03/70/184270370.db2.gz XZFQUUJKFNKJNW-VIFPVBQESA-N 2 1 314.227 2.604 10 0 DFAEMP COc1ccc(C[N@@H+](C)[C@@H](C)CC(N)=[NH2+])cc1Br ZINC000063092173 184270371 /nfs/dbraw/zinc/27/03/71/184270371.db2.gz XZFQUUJKFNKJNW-VIFPVBQESA-N 2 1 314.227 2.604 10 0 DFAEMP Cc1nc(C[NH+]2CC[C@@H]3CO[C@@H](C[N@H+](C)C(C)C)[C@@H]3C2)cs1 ZINC000248024833 257110829 /nfs/dbraw/zinc/11/08/29/257110829.db2.gz SBUFHSUMCABGFK-OIISXLGYSA-N 2 1 323.506 2.629 10 0 DFAEMP Cc1nc(C[N@H+]2CC[C@@H]3CO[C@@H](C[NH+](C)C(C)C)[C@@H]3C2)cs1 ZINC000248024833 257110831 /nfs/dbraw/zinc/11/08/31/257110831.db2.gz SBUFHSUMCABGFK-OIISXLGYSA-N 2 1 323.506 2.629 10 0 DFAEMP Cc1nc(C[N@@H+]2CC[C@@H]3CO[C@@H](C[NH+](C)C(C)C)[C@@H]3C2)cs1 ZINC000248024833 257110833 /nfs/dbraw/zinc/11/08/33/257110833.db2.gz SBUFHSUMCABGFK-OIISXLGYSA-N 2 1 323.506 2.629 10 0 DFAEMP CC1(C)C[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC[C@@H]1[NH3+] ZINC000261605067 146246015 /nfs/dbraw/zinc/24/60/15/146246015.db2.gz BAPRJWMNJKBNBN-MSOLQXFVSA-N 2 1 318.461 2.804 10 0 DFAEMP CC1(C)C[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC[C@@H]1[NH3+] ZINC000261605067 146246016 /nfs/dbraw/zinc/24/60/16/146246016.db2.gz BAPRJWMNJKBNBN-MSOLQXFVSA-N 2 1 318.461 2.804 10 0 DFAEMP Cc1ccc(N2C[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)CC2=O)cc1 ZINC000065428324 184343673 /nfs/dbraw/zinc/34/36/73/184343673.db2.gz DMBPZIDHYQRMLZ-QGZVFWFLSA-N 2 1 315.461 2.563 10 0 DFAEMP c1nc2c([nH]1)[C@@H](c1cc(C[NH+]3CCCCC3)cs1)[NH2+]CC2 ZINC000065434706 184344577 /nfs/dbraw/zinc/34/45/77/184344577.db2.gz ALZLADKFNTUGCK-MRXNPFEDSA-N 2 1 302.447 2.692 10 0 DFAEMP CN(CC[NH2+]Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000307409624 398511644 /nfs/dbraw/zinc/51/16/44/398511644.db2.gz IFYNQLPJACJCAM-NRFANRHFSA-N 2 1 323.484 2.983 10 0 DFAEMP C[C@@H](C[N@H+](C)Cc1ccc(F)c(Br)c1)C(N)=[NH2+] ZINC000042459879 183272822 /nfs/dbraw/zinc/27/28/22/183272822.db2.gz LYAITNWWAWKBJX-QMMMGPOBSA-N 2 1 302.191 2.592 10 0 DFAEMP C[C@@H](C[N@@H+](C)Cc1ccc(F)c(Br)c1)C(N)=[NH2+] ZINC000042459879 183272824 /nfs/dbraw/zinc/27/28/24/183272824.db2.gz LYAITNWWAWKBJX-QMMMGPOBSA-N 2 1 302.191 2.592 10 0 DFAEMP CC(C)[N@@H+](C)C[C@@H]1C[C@H]2C[NH+](Cc3ccc(F)cc3)C[C@H]2O1 ZINC000247959569 257112740 /nfs/dbraw/zinc/11/27/40/257112740.db2.gz DTNQTCQGPOCXDI-RYQLBKOJSA-N 2 1 306.425 2.755 10 0 DFAEMP CC(C)[NH+](C)C[C@@H]1C[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2O1 ZINC000247959569 257112742 /nfs/dbraw/zinc/11/27/42/257112742.db2.gz DTNQTCQGPOCXDI-RYQLBKOJSA-N 2 1 306.425 2.755 10 0 DFAEMP CC(C)[NH+](C)C[C@@H]1C[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]2O1 ZINC000247959569 257112744 /nfs/dbraw/zinc/11/27/44/257112744.db2.gz DTNQTCQGPOCXDI-RYQLBKOJSA-N 2 1 306.425 2.755 10 0 DFAEMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261707136 146263300 /nfs/dbraw/zinc/26/33/00/146263300.db2.gz MBTZMAAFOIGEMG-INIZCTEOSA-N 2 1 314.433 2.645 10 0 DFAEMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261707136 146263304 /nfs/dbraw/zinc/26/33/04/146263304.db2.gz MBTZMAAFOIGEMG-INIZCTEOSA-N 2 1 314.433 2.645 10 0 DFAEMP CN(CC[NH+](C)C)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000019225024 182108018 /nfs/dbraw/zinc/10/80/18/182108018.db2.gz UIZGRCIGJJHKOT-INIZCTEOSA-N 2 1 309.885 2.798 10 0 DFAEMP CC[N@H+](CCC(N)=[NH2+])Cc1ccc(OC)c(Br)c1 ZINC000042452871 183271987 /nfs/dbraw/zinc/27/19/87/183271987.db2.gz QLWJDUDNXWVESD-UHFFFAOYSA-N 2 1 314.227 2.606 10 0 DFAEMP CC[N@@H+](CCC(N)=[NH2+])Cc1ccc(OC)c(Br)c1 ZINC000042452871 183271988 /nfs/dbraw/zinc/27/19/88/183271988.db2.gz QLWJDUDNXWVESD-UHFFFAOYSA-N 2 1 314.227 2.606 10 0 DFAEMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000261367051 398428703 /nfs/dbraw/zinc/42/87/03/398428703.db2.gz FBTMYVBLVCQSMC-FQEVSTJZSA-N 2 1 309.457 2.722 10 0 DFAEMP COc1cccc2c1C[C@@]1(CCCC[N@H+]1CCCC[NH3+])CO2 ZINC000039004137 398558169 /nfs/dbraw/zinc/55/81/69/398558169.db2.gz TXCIYSXYJGGUBU-SFHVURJKSA-N 2 1 304.434 2.594 10 0 DFAEMP CC(C)(C)Nc1nc[nH+]c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040680555 183117410 /nfs/dbraw/zinc/11/74/10/183117410.db2.gz IUNNWHYOTMTVEB-UHFFFAOYSA-N 2 1 320.485 2.990 10 0 DFAEMP CC(C)(C)Nc1[nH+]cnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040680555 183117411 /nfs/dbraw/zinc/11/74/11/183117411.db2.gz IUNNWHYOTMTVEB-UHFFFAOYSA-N 2 1 320.485 2.990 10 0 DFAEMP COc1ccc(C[N@H+](C)[C@H](C)CC(N)=[NH2+])cc1Br ZINC000063092174 184270308 /nfs/dbraw/zinc/27/03/08/184270308.db2.gz XZFQUUJKFNKJNW-SECBINFHSA-N 2 1 314.227 2.604 10 0 DFAEMP COc1ccc(C[N@@H+](C)[C@H](C)CC(N)=[NH2+])cc1Br ZINC000063092174 184270310 /nfs/dbraw/zinc/27/03/10/184270310.db2.gz XZFQUUJKFNKJNW-SECBINFHSA-N 2 1 314.227 2.604 10 0 DFAEMP CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261751183 146270817 /nfs/dbraw/zinc/27/08/17/146270817.db2.gz QDHBNKJVPDWQLB-KRWDZBQOSA-N 2 1 317.477 2.632 10 0 DFAEMP CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000261751183 146270820 /nfs/dbraw/zinc/27/08/20/146270820.db2.gz QDHBNKJVPDWQLB-KRWDZBQOSA-N 2 1 317.477 2.632 10 0 DFAEMP Cc1ccc2c(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)cc(=O)oc2c1 ZINC000262561530 146373209 /nfs/dbraw/zinc/37/32/09/146373209.db2.gz VPBFMYWVZIYXKB-MRXNPFEDSA-N 2 1 300.402 2.661 10 0 DFAEMP Cc1ccc2c(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)cc(=O)oc2c1 ZINC000262561530 146373213 /nfs/dbraw/zinc/37/32/13/146373213.db2.gz VPBFMYWVZIYXKB-MRXNPFEDSA-N 2 1 300.402 2.661 10 0 DFAEMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000000152445 425540953 /nfs/dbraw/zinc/54/09/53/425540953.db2.gz CENCMKFNRCQRPR-HXUWFJFHSA-N 2 1 310.441 2.974 10 0 DFAEMP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C)c(C)o3)C2)C1 ZINC000011878663 425713923 /nfs/dbraw/zinc/71/39/23/425713923.db2.gz VJFYXSZAZYMYST-SFHVURJKSA-N 2 1 306.450 2.831 10 0 DFAEMP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C)c(C)o3)C2)C1 ZINC000011878663 425713927 /nfs/dbraw/zinc/71/39/27/425713927.db2.gz VJFYXSZAZYMYST-SFHVURJKSA-N 2 1 306.450 2.831 10 0 DFAEMP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C)c(C)o3)C2)C1 ZINC000011878663 425713931 /nfs/dbraw/zinc/71/39/31/425713931.db2.gz VJFYXSZAZYMYST-SFHVURJKSA-N 2 1 306.450 2.831 10 0 DFAEMP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C)c(C)o3)C2)C1 ZINC000011878663 425713934 /nfs/dbraw/zinc/71/39/34/425713934.db2.gz VJFYXSZAZYMYST-SFHVURJKSA-N 2 1 306.450 2.831 10 0 DFAEMP CC(C)[N@@H+](C)C[C@@H]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000503716185 257209950 /nfs/dbraw/zinc/20/99/50/257209950.db2.gz DTNQTCQGPOCXDI-NJAFHUGGSA-N 2 1 306.425 2.755 10 0 DFAEMP CC(C)[NH+](C)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000503716185 257209951 /nfs/dbraw/zinc/20/99/51/257209951.db2.gz DTNQTCQGPOCXDI-NJAFHUGGSA-N 2 1 306.425 2.755 10 0 DFAEMP Cn1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000261608574 146245986 /nfs/dbraw/zinc/24/59/86/146245986.db2.gz AZUHHQZUZVUQPA-QGZVFWFLSA-N 2 1 318.852 2.911 10 0 DFAEMP Cn1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000261608574 146245988 /nfs/dbraw/zinc/24/59/88/146245988.db2.gz AZUHHQZUZVUQPA-QGZVFWFLSA-N 2 1 318.852 2.911 10 0 DFAEMP CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000261702217 146262108 /nfs/dbraw/zinc/26/21/08/146262108.db2.gz OGXWGCWSTVWLFV-AWEZNQCLSA-N 2 1 309.841 2.728 10 0 DFAEMP CC1(C)C[N@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@H]1[NH3+] ZINC000261728618 146267036 /nfs/dbraw/zinc/26/70/36/146267036.db2.gz OBWKUJALWRMOCQ-MRXNPFEDSA-N 2 1 312.417 2.828 10 0 DFAEMP CC1(C)C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@H]1[NH3+] ZINC000261728618 146267041 /nfs/dbraw/zinc/26/70/41/146267041.db2.gz OBWKUJALWRMOCQ-MRXNPFEDSA-N 2 1 312.417 2.828 10 0 DFAEMP C[C@@]1(CN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)CC[NH2+]C1 ZINC000261943011 146306955 /nfs/dbraw/zinc/30/69/55/146306955.db2.gz DZGZKZOCAPOGNN-CQSZACIVSA-N 2 1 316.371 2.608 10 0 DFAEMP CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](C[C@]2(C)CC[NH2+]C2)C3)n1 ZINC000261961669 146309744 /nfs/dbraw/zinc/30/97/44/146309744.db2.gz HHWZFLYHYQOWNB-ZTFGCOKTSA-N 2 1 318.465 2.546 10 0 DFAEMP CC(C)=CC[N@H+]1CCOc2ccc([C@@](C)(O)C[NH+](C)C)cc2C1 ZINC000012166249 277324942 /nfs/dbraw/zinc/32/49/42/277324942.db2.gz RBCSAEBDYOYQHF-IBGZPJMESA-N 2 1 318.461 2.616 10 0 DFAEMP CC(C)=CC[N@@H+]1CCOc2ccc([C@@](C)(O)C[NH+](C)C)cc2C1 ZINC000012166249 277324944 /nfs/dbraw/zinc/32/49/44/277324944.db2.gz RBCSAEBDYOYQHF-IBGZPJMESA-N 2 1 318.461 2.616 10 0 DFAEMP C[N@@H+](CCOc1cccc(C[NH2+]CC2CC2)c1)C1CCOCC1 ZINC000237202056 202186559 /nfs/dbraw/zinc/18/65/59/202186559.db2.gz PRVPDWCQIYIOLG-UHFFFAOYSA-N 2 1 318.461 2.676 10 0 DFAEMP CC1(C)C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000261600590 146243930 /nfs/dbraw/zinc/24/39/30/146243930.db2.gz BNTXRZGSEZURTI-CQSZACIVSA-N 2 1 309.841 2.728 10 0 DFAEMP CC1(C)C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000261628611 146249476 /nfs/dbraw/zinc/24/94/76/146249476.db2.gz CRZNUZPVINAQMW-HNNXBMFYSA-N 2 1 302.397 2.775 10 0 DFAEMP CC1(C)C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000261628611 146249478 /nfs/dbraw/zinc/24/94/78/146249478.db2.gz CRZNUZPVINAQMW-HNNXBMFYSA-N 2 1 302.397 2.775 10 0 DFAEMP COc1ccccc1C1(F)CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261689619 277467042 /nfs/dbraw/zinc/46/70/42/277467042.db2.gz BCTIVXAPCAKVHA-QGZVFWFLSA-N 2 1 306.425 2.955 10 0 DFAEMP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@H]([NH3+])C(C)(C)C3)cnc21 ZINC000261616792 535138168 /nfs/dbraw/zinc/13/81/68/535138168.db2.gz CVTFICDQKJGUPS-OAHLLOKOSA-N 2 1 301.438 2.571 10 0 DFAEMP CC(C)n1ncc2cc(C[N@H+]3CC[C@@H]([NH3+])C(C)(C)C3)cnc21 ZINC000261616792 535138174 /nfs/dbraw/zinc/13/81/74/535138174.db2.gz CVTFICDQKJGUPS-OAHLLOKOSA-N 2 1 301.438 2.571 10 0 DFAEMP CC[N@@H+](Cc1ccc(F)c(Br)c1)C[C@@H](C)C(N)=[NH2+] ZINC000042446164 183271820 /nfs/dbraw/zinc/27/18/20/183271820.db2.gz ZCYWUGNUWZMMOA-SECBINFHSA-N 2 1 316.218 2.982 10 0 DFAEMP CC[N@H+](Cc1ccc(F)c(Br)c1)C[C@@H](C)C(N)=[NH2+] ZINC000042446164 183271821 /nfs/dbraw/zinc/27/18/21/183271821.db2.gz ZCYWUGNUWZMMOA-SECBINFHSA-N 2 1 316.218 2.982 10 0 DFAEMP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccc(Cl)s2)O1 ZINC000052509165 183862390 /nfs/dbraw/zinc/86/23/90/183862390.db2.gz BZMGFSFADIZSGY-NEPJUHHUSA-N 2 1 302.871 2.990 10 0 DFAEMP CC1(C)C[N@H+](Cc2cnc(-c3ccncc3)s2)CC[C@@H]1[NH3+] ZINC000261604818 146245370 /nfs/dbraw/zinc/24/53/70/146245370.db2.gz ALUPRSZMBBWMNY-AWEZNQCLSA-N 2 1 302.447 2.764 10 0 DFAEMP CC1(C)C[N@@H+](Cc2cnc(-c3ccncc3)s2)CC[C@@H]1[NH3+] ZINC000261604818 146245373 /nfs/dbraw/zinc/24/53/73/146245373.db2.gz ALUPRSZMBBWMNY-AWEZNQCLSA-N 2 1 302.447 2.764 10 0 DFAEMP CN(CC[NH2+]Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000307409625 398511633 /nfs/dbraw/zinc/51/16/33/398511633.db2.gz IFYNQLPJACJCAM-OAQYLSRUSA-N 2 1 323.484 2.983 10 0 DFAEMP CC1(C)C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1[NH3+] ZINC000261900625 146297711 /nfs/dbraw/zinc/29/77/11/146297711.db2.gz WMFRTMCYTGSQIE-OAHLLOKOSA-N 2 1 302.397 2.775 10 0 DFAEMP CC1(C)C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1[NH3+] ZINC000261900625 146297712 /nfs/dbraw/zinc/29/77/12/146297712.db2.gz WMFRTMCYTGSQIE-OAHLLOKOSA-N 2 1 302.397 2.775 10 0 DFAEMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000196216752 426542882 /nfs/dbraw/zinc/54/28/82/426542882.db2.gz FBTMYVBLVCQSMC-HXUWFJFHSA-N 2 1 309.457 2.722 10 0 DFAEMP CN(C)CCC[NH+]1CCC(C[NH3+])(CCc2ccccc2)CC1 ZINC000219253089 398346551 /nfs/dbraw/zinc/34/65/51/398346551.db2.gz XVFKWFCEAIOEQJ-UHFFFAOYSA-N 2 1 303.494 2.612 10 0 DFAEMP CN(CC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000019225021 182108118 /nfs/dbraw/zinc/10/81/18/182108118.db2.gz UIZGRCIGJJHKOT-MRXNPFEDSA-N 2 1 309.885 2.798 10 0 DFAEMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261707138 146263284 /nfs/dbraw/zinc/26/32/84/146263284.db2.gz MBTZMAAFOIGEMG-MRXNPFEDSA-N 2 1 314.433 2.645 10 0 DFAEMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000261707138 146263287 /nfs/dbraw/zinc/26/32/87/146263287.db2.gz MBTZMAAFOIGEMG-MRXNPFEDSA-N 2 1 314.433 2.645 10 0 DFAEMP FC(F)(F)c1ncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262016455 146322691 /nfs/dbraw/zinc/32/26/91/146322691.db2.gz MSZFFHOZRVNXCA-UHFFFAOYSA-N 2 1 305.369 2.737 10 0 DFAEMP FC(F)(F)c1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262016455 146322694 /nfs/dbraw/zinc/32/26/94/146322694.db2.gz MSZFFHOZRVNXCA-UHFFFAOYSA-N 2 1 305.369 2.737 10 0 DFAEMP CC[N@H+](CCC(N)=[NH2+])Cc1ccc(F)c(Br)c1 ZINC000042452873 183272264 /nfs/dbraw/zinc/27/22/64/183272264.db2.gz ZPUQWVZVLSYOKB-UHFFFAOYSA-N 2 1 302.191 2.736 10 0 DFAEMP CC[N@@H+](CCC(N)=[NH2+])Cc1ccc(F)c(Br)c1 ZINC000042452873 183272265 /nfs/dbraw/zinc/27/22/65/183272265.db2.gz ZPUQWVZVLSYOKB-UHFFFAOYSA-N 2 1 302.191 2.736 10 0 DFAEMP CC(C)[N@@H+](C)C[C@@H]1C[C@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000503716186 257209361 /nfs/dbraw/zinc/20/93/61/257209361.db2.gz DTNQTCQGPOCXDI-SZMVWBNQSA-N 2 1 306.425 2.755 10 0 DFAEMP CC(C)[NH+](C)C[C@@H]1C[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000503716186 257209362 /nfs/dbraw/zinc/20/93/62/257209362.db2.gz DTNQTCQGPOCXDI-SZMVWBNQSA-N 2 1 306.425 2.755 10 0 DFAEMP CC(C)[N@@H+](C)C[C@@H]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@H]2O1 ZINC000503716184 257209972 /nfs/dbraw/zinc/20/99/72/257209972.db2.gz DTNQTCQGPOCXDI-BPQIPLTHSA-N 2 1 306.425 2.755 10 0 DFAEMP CC(C)[NH+](C)C[C@@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2O1 ZINC000503716184 257209973 /nfs/dbraw/zinc/20/99/73/257209973.db2.gz DTNQTCQGPOCXDI-BPQIPLTHSA-N 2 1 306.425 2.755 10 0 DFAEMP FC(F)(F)c1cnc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)[nH]1 ZINC000262252971 146346104 /nfs/dbraw/zinc/34/61/04/146346104.db2.gz QHPNKTMOVQJPQD-UHFFFAOYSA-N 2 1 316.371 2.608 10 0 DFAEMP CC(C)n1ncc2cc(C[N@@H+]3CC[C@H]([NH3+])C(C)(C)C3)cnc21 ZINC000261616789 535138209 /nfs/dbraw/zinc/13/82/09/535138209.db2.gz CVTFICDQKJGUPS-HNNXBMFYSA-N 2 1 301.438 2.571 10 0 DFAEMP CC(C)n1ncc2cc(C[N@H+]3CC[C@H]([NH3+])C(C)(C)C3)cnc21 ZINC000261616789 535138210 /nfs/dbraw/zinc/13/82/10/535138210.db2.gz CVTFICDQKJGUPS-HNNXBMFYSA-N 2 1 301.438 2.571 10 0 DFAEMP CCC(CC)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000164387948 535143994 /nfs/dbraw/zinc/14/39/94/535143994.db2.gz HGTJZONBVZBOPQ-ROUUACIJSA-N 2 1 317.477 2.703 10 0 DFAEMP CN(CC[NH+](C)C)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000019771208 182145452 /nfs/dbraw/zinc/14/54/52/182145452.db2.gz MFELLWVUFSFTBC-LJQANCHMSA-N 2 1 303.494 2.577 10 0 DFAEMP CCO[C@H](C[NH3+])CC[N@@H+](C)Cc1cccc(Br)c1 ZINC000062741004 184252218 /nfs/dbraw/zinc/25/22/18/184252218.db2.gz ABPOSSHVMRDUBF-AWEZNQCLSA-N 2 1 315.255 2.635 10 0 DFAEMP Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CO[C@@H]3C[N@H+](C)C(C)C)C2)n1 ZINC000503717728 257208792 /nfs/dbraw/zinc/20/87/92/257208792.db2.gz AGQIIPAFGUAVFK-QXAKKESOSA-N 2 1 317.477 2.567 10 0 DFAEMP Fc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C[C@H]4CCCO4)C[C@H]3C2)c1 ZINC000503716641 257209281 /nfs/dbraw/zinc/20/92/81/257209281.db2.gz MNBMJASGVQHPBW-JENIJYKNSA-N 2 1 318.436 2.758 10 0 DFAEMP Fc1cccc(C[N@H+]2C[C@@H]3CC[NH+](C[C@H]4CCCO4)C[C@H]3C2)c1 ZINC000503716641 257209282 /nfs/dbraw/zinc/20/92/82/257209282.db2.gz MNBMJASGVQHPBW-JENIJYKNSA-N 2 1 318.436 2.758 10 0 DFAEMP Fc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@H]3C2)c1 ZINC000503716641 257209283 /nfs/dbraw/zinc/20/92/83/257209283.db2.gz MNBMJASGVQHPBW-JENIJYKNSA-N 2 1 318.436 2.758 10 0 DFAEMP Fc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@H]3C2)c1 ZINC000503716641 257209284 /nfs/dbraw/zinc/20/92/84/257209284.db2.gz MNBMJASGVQHPBW-JENIJYKNSA-N 2 1 318.436 2.758 10 0 DFAEMP C[NH+](C)CCC[N@H+](C)CCOc1ccc(Br)cc1 ZINC000111141619 194394975 /nfs/dbraw/zinc/39/49/75/194394975.db2.gz SWQDZXVHPFKPDC-UHFFFAOYSA-N 2 1 315.255 2.711 10 0 DFAEMP C[NH+](C)CCC[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000111141619 194394977 /nfs/dbraw/zinc/39/49/77/194394977.db2.gz SWQDZXVHPFKPDC-UHFFFAOYSA-N 2 1 315.255 2.711 10 0 DFAEMP CC1(C)C[N@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@@H]1[NH3+] ZINC000261728614 146266589 /nfs/dbraw/zinc/26/65/89/146266589.db2.gz OBWKUJALWRMOCQ-INIZCTEOSA-N 2 1 312.417 2.828 10 0 DFAEMP CC1(C)C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@@H]1[NH3+] ZINC000261728614 146266592 /nfs/dbraw/zinc/26/65/92/146266592.db2.gz OBWKUJALWRMOCQ-INIZCTEOSA-N 2 1 312.417 2.828 10 0 DFAEMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1cccc(Cl)c1 ZINC000262055125 289346682 /nfs/dbraw/zinc/34/66/82/289346682.db2.gz RGOASDLTTXWSGO-GJZGRUSLSA-N 2 1 323.868 2.529 10 0 DFAEMP C[N@@H+](CCO)CCNc1cc(-c2ccccc2)[nH+]c2ccccc12 ZINC000584602925 337371109 /nfs/dbraw/zinc/37/11/09/337371109.db2.gz DHYKSDQJMKYPBU-UHFFFAOYSA-N 2 1 321.424 2.660 10 0 DFAEMP COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](CC(C)C)C[N@@H+]1CC2 ZINC000005454676 181245559 /nfs/dbraw/zinc/24/55/59/181245559.db2.gz HTTGVFNTQCNCHU-UAGQMJEPSA-N 2 1 318.461 2.996 10 0 DFAEMP COc1cc2c(cc1OC)[C@@H]1C[C@@H]([NH3+])[C@@H](CC(C)C)C[N@H+]1CC2 ZINC000005454676 181245560 /nfs/dbraw/zinc/24/55/60/181245560.db2.gz HTTGVFNTQCNCHU-UAGQMJEPSA-N 2 1 318.461 2.996 10 0 DFAEMP C[C@]1(CN2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)CC[NH2+]C1 ZINC000261943010 146306861 /nfs/dbraw/zinc/30/68/61/146306861.db2.gz DZGZKZOCAPOGNN-AWEZNQCLSA-N 2 1 316.371 2.608 10 0 DFAEMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)ccc1OC(F)F ZINC000262403514 536769285 /nfs/dbraw/zinc/76/92/85/536769285.db2.gz CNFWSKOXUPPZQK-AWEZNQCLSA-N 2 1 314.376 2.856 10 0 DFAEMP COc1cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)ccc1OC(F)F ZINC000262403514 536769291 /nfs/dbraw/zinc/76/92/91/536769291.db2.gz CNFWSKOXUPPZQK-AWEZNQCLSA-N 2 1 314.376 2.856 10 0 DFAEMP COc1ccccc1C[NH2+]CCC[NH2+]Cc1ccccc1OC ZINC000145319305 398907584 /nfs/dbraw/zinc/90/75/84/398907584.db2.gz ZHXVQNFTPMCVTO-UHFFFAOYSA-N 2 1 314.429 2.973 10 0 DFAEMP Cc1nc(C[NH+]2CC[C@@H]3CO[C@H](C[N@H+](C)C(C)C)[C@H]3C2)cs1 ZINC000503720318 257207196 /nfs/dbraw/zinc/20/71/96/257207196.db2.gz SBUFHSUMCABGFK-HYVNUMGLSA-N 2 1 323.506 2.629 10 0 DFAEMP Cc1nc(C[N@H+]2CC[C@@H]3CO[C@H](C[NH+](C)C(C)C)[C@H]3C2)cs1 ZINC000503720318 257207197 /nfs/dbraw/zinc/20/71/97/257207197.db2.gz SBUFHSUMCABGFK-HYVNUMGLSA-N 2 1 323.506 2.629 10 0 DFAEMP Cc1nc(C[N@@H+]2CC[C@@H]3CO[C@H](C[NH+](C)C(C)C)[C@H]3C2)cs1 ZINC000503720318 257207198 /nfs/dbraw/zinc/20/71/98/257207198.db2.gz SBUFHSUMCABGFK-HYVNUMGLSA-N 2 1 323.506 2.629 10 0 DFAEMP CC1(C)C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000261628614 146249764 /nfs/dbraw/zinc/24/97/64/146249764.db2.gz CRZNUZPVINAQMW-OAHLLOKOSA-N 2 1 302.397 2.775 10 0 DFAEMP CC1(C)C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000261628614 146249767 /nfs/dbraw/zinc/24/97/67/146249767.db2.gz CRZNUZPVINAQMW-OAHLLOKOSA-N 2 1 302.397 2.775 10 0 DFAEMP CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](CC2CC[NH2+]CC2)C3)n1 ZINC000261638362 146250529 /nfs/dbraw/zinc/25/05/29/146250529.db2.gz DBBWIKNUTQHGLB-CRAIPNDOSA-N 2 1 318.465 2.546 10 0 DFAEMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)ccc1OC(F)F ZINC000262403521 146357015 /nfs/dbraw/zinc/35/70/15/146357015.db2.gz CNFWSKOXUPPZQK-CQSZACIVSA-N 2 1 314.376 2.856 10 0 DFAEMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)ccc1OC(F)F ZINC000262403521 146357016 /nfs/dbraw/zinc/35/70/16/146357016.db2.gz CNFWSKOXUPPZQK-CQSZACIVSA-N 2 1 314.376 2.856 10 0 DFAEMP c1cc(OCCC[NH+]2CCOCC2)ccc1C[NH+]1CCCCC1 ZINC000013526534 398388387 /nfs/dbraw/zinc/38/83/87/398388387.db2.gz KUIIIXUFHYLJSU-UHFFFAOYSA-N 2 1 318.461 2.774 10 0 DFAEMP COCCC[N@H+](C)CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000062035556 184203042 /nfs/dbraw/zinc/20/30/42/184203042.db2.gz SDOOUZLRVMOJNJ-CQSZACIVSA-N 2 1 315.255 2.807 10 0 DFAEMP COCCC[N@@H+](C)CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000062035556 184203044 /nfs/dbraw/zinc/20/30/44/184203044.db2.gz SDOOUZLRVMOJNJ-CQSZACIVSA-N 2 1 315.255 2.807 10 0 DFAEMP Cc1ccn2c(C[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cnc2c1 ZINC000261639454 146250755 /nfs/dbraw/zinc/25/07/55/146250755.db2.gz GFVUHMLDMXBQQV-MJGOQNOKSA-N 2 1 320.440 2.817 10 0 DFAEMP CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261751186 146271281 /nfs/dbraw/zinc/27/12/81/146271281.db2.gz QDHBNKJVPDWQLB-QGZVFWFLSA-N 2 1 317.477 2.632 10 0 DFAEMP CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261751186 146271284 /nfs/dbraw/zinc/27/12/84/146271284.db2.gz QDHBNKJVPDWQLB-QGZVFWFLSA-N 2 1 317.477 2.632 10 0 DFAEMP CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C3)n1 ZINC000261961666 146310044 /nfs/dbraw/zinc/31/00/44/146310044.db2.gz HHWZFLYHYQOWNB-FHLIZLRMSA-N 2 1 318.465 2.546 10 0 DFAEMP Cc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)[nH]n1 ZINC000012433434 425727218 /nfs/dbraw/zinc/72/72/18/425727218.db2.gz JAVMXIGHATZJIV-QGZVFWFLSA-N 2 1 304.482 2.908 10 0 DFAEMP Cc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)n[nH]1 ZINC000012433434 425727221 /nfs/dbraw/zinc/72/72/21/425727221.db2.gz JAVMXIGHATZJIV-QGZVFWFLSA-N 2 1 304.482 2.908 10 0 DFAEMP Cc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)n[nH]1 ZINC000012433434 425727223 /nfs/dbraw/zinc/72/72/23/425727223.db2.gz JAVMXIGHATZJIV-QGZVFWFLSA-N 2 1 304.482 2.908 10 0 DFAEMP CCCNc1[nH+]cnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040707733 183120476 /nfs/dbraw/zinc/12/04/76/183120476.db2.gz YCVCZAAPBNVHPC-UHFFFAOYSA-N 2 1 306.458 2.602 10 0 DFAEMP CCCNc1nc[nH+]c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040707733 183120477 /nfs/dbraw/zinc/12/04/77/183120477.db2.gz YCVCZAAPBNVHPC-UHFFFAOYSA-N 2 1 306.458 2.602 10 0 DFAEMP C[C@H](C[N@H+](C)Cc1ccc(F)c(Br)c1)C(N)=[NH2+] ZINC000042459881 183272704 /nfs/dbraw/zinc/27/27/04/183272704.db2.gz LYAITNWWAWKBJX-MRVPVSSYSA-N 2 1 302.191 2.592 10 0 DFAEMP C[C@H](C[N@@H+](C)Cc1ccc(F)c(Br)c1)C(N)=[NH2+] ZINC000042459881 183272706 /nfs/dbraw/zinc/27/27/06/183272706.db2.gz LYAITNWWAWKBJX-MRVPVSSYSA-N 2 1 302.191 2.592 10 0 DFAEMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261617319 146248817 /nfs/dbraw/zinc/24/88/17/146248817.db2.gz FZFOGUYBZWUEIO-QWHCGFSZSA-N 2 1 300.324 2.627 10 0 DFAEMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261617319 146248818 /nfs/dbraw/zinc/24/88/18/146248818.db2.gz FZFOGUYBZWUEIO-QWHCGFSZSA-N 2 1 300.324 2.627 10 0 DFAEMP CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000261702219 146262600 /nfs/dbraw/zinc/26/26/00/146262600.db2.gz OGXWGCWSTVWLFV-CQSZACIVSA-N 2 1 309.841 2.728 10 0 DFAEMP CCOCc1cc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)ccc1OC ZINC000261747090 146269926 /nfs/dbraw/zinc/26/99/26/146269926.db2.gz PUAUANGVMCINRK-QGZVFWFLSA-N 2 1 306.450 2.791 10 0 DFAEMP CCOCc1cc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)ccc1OC ZINC000261747090 146269928 /nfs/dbraw/zinc/26/99/28/146269928.db2.gz PUAUANGVMCINRK-QGZVFWFLSA-N 2 1 306.450 2.791 10 0 DFAEMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC(F)F ZINC000261982057 146315134 /nfs/dbraw/zinc/31/51/34/146315134.db2.gz ANFWLUIGBOCLEV-CQSZACIVSA-N 2 1 314.376 2.856 10 0 DFAEMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cc1OC(F)F ZINC000261982057 146315136 /nfs/dbraw/zinc/31/51/36/146315136.db2.gz ANFWLUIGBOCLEV-CQSZACIVSA-N 2 1 314.376 2.856 10 0 DFAEMP c1nc(-c2ccccn2)sc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261999293 146319682 /nfs/dbraw/zinc/31/96/82/146319682.db2.gz LDCMMORZASFPPZ-UHFFFAOYSA-N 2 1 314.458 2.781 10 0 DFAEMP c1cc2c(s1)CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CCO3)C2 ZINC000299784608 427769062 /nfs/dbraw/zinc/76/90/62/427769062.db2.gz HHLUNQHCBGLUGU-UHFFFAOYSA-N 2 1 300.427 2.788 10 0 DFAEMP c1cc2c(s1)CC[N@H+](Cc1ccc3c(c1)C[NH2+]CCO3)C2 ZINC000299784608 427769065 /nfs/dbraw/zinc/76/90/65/427769065.db2.gz HHLUNQHCBGLUGU-UHFFFAOYSA-N 2 1 300.427 2.788 10 0 DFAEMP COCCC[N@H+](C)CC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000062035555 184202648 /nfs/dbraw/zinc/20/26/48/184202648.db2.gz SDOOUZLRVMOJNJ-AWEZNQCLSA-N 2 1 315.255 2.807 10 0 DFAEMP COCCC[N@@H+](C)CC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000062035555 184202650 /nfs/dbraw/zinc/20/26/50/184202650.db2.gz SDOOUZLRVMOJNJ-AWEZNQCLSA-N 2 1 315.255 2.807 10 0 DFAEMP CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](C[C@@H]2CCC[NH2+]C2)C3)n1 ZINC000261614772 146246662 /nfs/dbraw/zinc/24/66/62/146246662.db2.gz BFAHZABJYMCHCB-IIDMSEBBSA-N 2 1 318.465 2.546 10 0 DFAEMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261758115 146272548 /nfs/dbraw/zinc/27/25/48/146272548.db2.gz LPONZOLXFBNKCB-OAHLLOKOSA-N 2 1 307.413 2.522 10 0 DFAEMP Fc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCCO4)C[C@@H]3C2)c1 ZINC000247524092 257119597 /nfs/dbraw/zinc/11/95/97/257119597.db2.gz MNBMJASGVQHPBW-SCTDSRPQSA-N 2 1 318.436 2.758 10 0 DFAEMP Fc1cccc(C[N@H+]2C[C@@H]3CC[NH+](C[C@@H]4CCCO4)C[C@@H]3C2)c1 ZINC000247524092 257119599 /nfs/dbraw/zinc/11/95/99/257119599.db2.gz MNBMJASGVQHPBW-SCTDSRPQSA-N 2 1 318.436 2.758 10 0 DFAEMP Fc1cccc(C[NH+]2C[C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@@H]3C2)c1 ZINC000247524092 257119601 /nfs/dbraw/zinc/11/96/01/257119601.db2.gz MNBMJASGVQHPBW-SCTDSRPQSA-N 2 1 318.436 2.758 10 0 DFAEMP Fc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C2)c1 ZINC000247524092 257119603 /nfs/dbraw/zinc/11/96/03/257119603.db2.gz MNBMJASGVQHPBW-SCTDSRPQSA-N 2 1 318.436 2.758 10 0 DFAEMP COc1ccc(/C=C/C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)cc1 ZINC000102681099 425924856 /nfs/dbraw/zinc/92/48/56/425924856.db2.gz PHKCDSFWNIQMFL-GMRNKCLUSA-N 2 1 300.446 2.980 10 0 DFAEMP COc1ccc(/C=C/C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)cc1 ZINC000102681099 425924858 /nfs/dbraw/zinc/92/48/58/425924858.db2.gz PHKCDSFWNIQMFL-GMRNKCLUSA-N 2 1 300.446 2.980 10 0 DFAEMP CN(CCC[NH+](C)C)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000020919677 182253665 /nfs/dbraw/zinc/25/36/65/182253665.db2.gz IWUDLLLXTYXDOV-FQEVSTJZSA-N 2 1 317.521 2.967 10 0 DFAEMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000261548161 146239588 /nfs/dbraw/zinc/23/95/88/146239588.db2.gz NFBCHLNNXHECSR-MFKWGIFDSA-N 3 1 313.489 2.614 10 0 DFAEMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000261548161 146239594 /nfs/dbraw/zinc/23/95/94/146239594.db2.gz NFBCHLNNXHECSR-MFKWGIFDSA-N 2 1 313.489 2.614 10 0 DFAEMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000261548161 146239598 /nfs/dbraw/zinc/23/95/98/146239598.db2.gz NFBCHLNNXHECSR-MFKWGIFDSA-N 2 1 313.489 2.614 10 0 DFAEMP Cc1sc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)nc1C(C)C ZINC000261885340 146294818 /nfs/dbraw/zinc/29/48/18/146294818.db2.gz FTXCNZZGABBERL-ZNMIVQPWSA-N 2 1 323.506 2.822 10 0 DFAEMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC(F)F ZINC000261982052 146315935 /nfs/dbraw/zinc/31/59/35/146315935.db2.gz ANFWLUIGBOCLEV-AWEZNQCLSA-N 2 1 314.376 2.856 10 0 DFAEMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1OC(F)F ZINC000261982052 146315937 /nfs/dbraw/zinc/31/59/37/146315937.db2.gz ANFWLUIGBOCLEV-AWEZNQCLSA-N 2 1 314.376 2.856 10 0 DFAEMP COc1ccccc1C1(F)CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261689615 537014045 /nfs/dbraw/zinc/01/40/45/537014045.db2.gz BCTIVXAPCAKVHA-KRWDZBQOSA-N 2 1 306.425 2.955 10 0 DFAEMP COc1cc2c(cc1OC)[C@@H]1C[C@H]([NH3+])[C@@H](CC(C)C)C[N@@H+]1CC2 ZINC000003601716 181039037 /nfs/dbraw/zinc/03/90/37/181039037.db2.gz HTTGVFNTQCNCHU-XIRDDKMYSA-N 2 1 318.461 2.996 10 0 DFAEMP COc1cc2c(cc1OC)[C@@H]1C[C@H]([NH3+])[C@@H](CC(C)C)C[N@H+]1CC2 ZINC000003601716 181039039 /nfs/dbraw/zinc/03/90/39/181039039.db2.gz HTTGVFNTQCNCHU-XIRDDKMYSA-N 2 1 318.461 2.996 10 0 DFAEMP c1cnn(CCC[NH2+][C@@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000022916694 182340574 /nfs/dbraw/zinc/34/05/74/182340574.db2.gz RLZVZXIXVGRHOV-GOSISDBHSA-N 2 1 304.482 2.908 10 0 DFAEMP c1cnn(CCC[NH2+][C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000022916694 182340578 /nfs/dbraw/zinc/34/05/78/182340578.db2.gz RLZVZXIXVGRHOV-GOSISDBHSA-N 2 1 304.482 2.908 10 0 DFAEMP CC1(C)C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@@H]1[NH3+] ZINC000261900622 146298025 /nfs/dbraw/zinc/29/80/25/146298025.db2.gz WMFRTMCYTGSQIE-HNNXBMFYSA-N 2 1 302.397 2.775 10 0 DFAEMP CC1(C)C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@@H]1[NH3+] ZINC000261900622 146298028 /nfs/dbraw/zinc/29/80/28/146298028.db2.gz WMFRTMCYTGSQIE-HNNXBMFYSA-N 2 1 302.397 2.775 10 0 DFAEMP Cc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)[nH]n1 ZINC000012433435 425727701 /nfs/dbraw/zinc/72/77/01/425727701.db2.gz JAVMXIGHATZJIV-KRWDZBQOSA-N 2 1 304.482 2.908 10 0 DFAEMP Cc1cc(C[N@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)n[nH]1 ZINC000012433435 425727703 /nfs/dbraw/zinc/72/77/03/425727703.db2.gz JAVMXIGHATZJIV-KRWDZBQOSA-N 2 1 304.482 2.908 10 0 DFAEMP Cc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)n[nH]1 ZINC000012433435 425727705 /nfs/dbraw/zinc/72/77/05/425727705.db2.gz JAVMXIGHATZJIV-KRWDZBQOSA-N 2 1 304.482 2.908 10 0 DFAEMP CN(CC[NH+](C)C)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000019771209 182145538 /nfs/dbraw/zinc/14/55/38/182145538.db2.gz MFELLWVUFSFTBC-IBGZPJMESA-N 2 1 303.494 2.577 10 0 DFAEMP C[N@H+]1CCCN([C@@H](C[NH3+])c2cccc(Cl)c2Cl)CC1 ZINC000021513703 182276292 /nfs/dbraw/zinc/27/62/92/182276292.db2.gz DVUDFZJVLLLWLG-ZDUSSCGKSA-N 2 1 302.249 2.631 10 0 DFAEMP Cc1cccc(C[NH+]2CC[C@H]3[C@H](C[N@H+](C)C(C)C)OC[C@@H]3C2)n1 ZINC000503717729 257208899 /nfs/dbraw/zinc/20/88/99/257208899.db2.gz AGQIIPAFGUAVFK-UHOSZYNNSA-N 2 1 317.477 2.567 10 0 DFAEMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)c(-c2ccnn2C)c1 ZINC000261961092 146310039 /nfs/dbraw/zinc/31/00/39/146310039.db2.gz PFYKQHPALVAJSL-GOSISDBHSA-N 2 1 312.461 2.955 10 0 DFAEMP CCC(CC)[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000164387672 535144862 /nfs/dbraw/zinc/14/48/62/535144862.db2.gz HGTJZONBVZBOPQ-ZWKOTPCHSA-N 2 1 317.477 2.703 10 0 DFAEMP CC(C)[NH2+]C[C@H]1CC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000076530579 185020089 /nfs/dbraw/zinc/02/00/89/185020089.db2.gz JXJCNUFOAPQOGM-LJQANCHMSA-N 2 1 315.505 2.971 10 0 DFAEMP CC(C)[NH2+]C[C@H]1CC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000076530579 185020091 /nfs/dbraw/zinc/02/00/91/185020091.db2.gz JXJCNUFOAPQOGM-LJQANCHMSA-N 2 1 315.505 2.971 10 0 DFAEMP CC(C)Nc1[nH+]cnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040708131 183121216 /nfs/dbraw/zinc/12/12/16/183121216.db2.gz UJLKVNWWETXIRU-UHFFFAOYSA-N 2 1 306.458 2.600 10 0 DFAEMP CC(C)Nc1nc[nH+]c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N ZINC000040708131 183121219 /nfs/dbraw/zinc/12/12/19/183121219.db2.gz UJLKVNWWETXIRU-UHFFFAOYSA-N 2 1 306.458 2.600 10 0 DFAEMP CC[N@@H+](Cc1cc(Br)cs1)C[C@@H](C)C(N)=[NH2+] ZINC000043687516 183381457 /nfs/dbraw/zinc/38/14/57/183381457.db2.gz LMAZLMCMIKRULS-MRVPVSSYSA-N 2 1 304.257 2.905 10 0 DFAEMP CC[N@H+](Cc1cc(Br)cs1)C[C@@H](C)C(N)=[NH2+] ZINC000043687516 183381459 /nfs/dbraw/zinc/38/14/59/183381459.db2.gz LMAZLMCMIKRULS-MRVPVSSYSA-N 2 1 304.257 2.905 10 0 DFAEMP Cc1nc(C[NH+]2CC[C@@H]3CO[C@H](C[N@H+](C)C(C)C)[C@@H]3C2)cs1 ZINC000503720317 257207112 /nfs/dbraw/zinc/20/71/12/257207112.db2.gz SBUFHSUMCABGFK-DJIMGWMZSA-N 2 1 323.506 2.629 10 0 DFAEMP Cc1nc(C[N@H+]2CC[C@@H]3CO[C@H](C[NH+](C)C(C)C)[C@@H]3C2)cs1 ZINC000503720317 257207113 /nfs/dbraw/zinc/20/71/13/257207113.db2.gz SBUFHSUMCABGFK-DJIMGWMZSA-N 2 1 323.506 2.629 10 0 DFAEMP Cc1nc(C[N@@H+]2CC[C@@H]3CO[C@H](C[NH+](C)C(C)C)[C@@H]3C2)cs1 ZINC000503720317 257207115 /nfs/dbraw/zinc/20/71/15/257207115.db2.gz SBUFHSUMCABGFK-DJIMGWMZSA-N 2 1 323.506 2.629 10 0 DFAEMP CC1(C)C[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[C@H]1[NH3+] ZINC000261605070 146245138 /nfs/dbraw/zinc/24/51/38/146245138.db2.gz BAPRJWMNJKBNBN-ZWKOTPCHSA-N 2 1 318.461 2.804 10 0 DFAEMP CC1(C)C[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[C@H]1[NH3+] ZINC000261605070 146245141 /nfs/dbraw/zinc/24/51/41/146245141.db2.gz BAPRJWMNJKBNBN-ZWKOTPCHSA-N 2 1 318.461 2.804 10 0 DFAEMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261617320 146248118 /nfs/dbraw/zinc/24/81/18/146248118.db2.gz FZFOGUYBZWUEIO-STQMWFEESA-N 2 1 300.324 2.627 10 0 DFAEMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261617320 146248121 /nfs/dbraw/zinc/24/81/21/146248121.db2.gz FZFOGUYBZWUEIO-STQMWFEESA-N 2 1 300.324 2.627 10 0 DFAEMP Cn1cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(-c2cccs2)n1 ZINC000261914505 146300777 /nfs/dbraw/zinc/30/07/77/146300777.db2.gz XYFCCDANTQLRGM-AWEZNQCLSA-N 2 1 304.463 2.708 10 0 DFAEMP Cn1cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(-c2cccs2)n1 ZINC000261914505 146300779 /nfs/dbraw/zinc/30/07/79/146300779.db2.gz XYFCCDANTQLRGM-AWEZNQCLSA-N 2 1 304.463 2.708 10 0 DFAEMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1cccc(Cl)c1 ZINC000262055127 146328390 /nfs/dbraw/zinc/32/83/90/146328390.db2.gz RGOASDLTTXWSGO-HUUCEWRRSA-N 2 1 323.868 2.529 10 0 DFAEMP CCCOc1ccc(OCC[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000262493774 146364610 /nfs/dbraw/zinc/36/46/10/146364610.db2.gz LEQRPRZXURFUQR-KRWDZBQOSA-N 2 1 306.450 2.913 10 0 DFAEMP [NH3+][C@@H](c1ccccc1)C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000029050684 425824182 /nfs/dbraw/zinc/82/41/82/425824182.db2.gz QZUZDXQRPMHXBK-INIZCTEOSA-N 2 1 307.401 2.874 10 0 DFAEMP Cc1sc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)nc1C(C)C ZINC000261885336 146295354 /nfs/dbraw/zinc/29/53/54/146295354.db2.gz FTXCNZZGABBERL-RBSFLKMASA-N 2 1 323.506 2.822 10 0 DFAEMP CCC(CC)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000164387544 535108743 /nfs/dbraw/zinc/10/87/43/535108743.db2.gz HGTJZONBVZBOPQ-QZTJIDSGSA-N 2 1 317.477 2.703 10 0 DFAEMP CC(C)(C)OC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000313540467 398516567 /nfs/dbraw/zinc/51/65/67/398516567.db2.gz KMLWHXIXWAVPIM-UHFFFAOYSA-N 2 1 304.434 2.712 10 0 DFAEMP NC(=[NH2+])CC[N@H+](Cc1ccc(F)c(Br)c1)C1CC1 ZINC000042548221 183282585 /nfs/dbraw/zinc/28/25/85/183282585.db2.gz WWEZLCLNQRXGEB-UHFFFAOYSA-N 2 1 314.202 2.879 10 0 DFAEMP NC(=[NH2+])CC[N@@H+](Cc1ccc(F)c(Br)c1)C1CC1 ZINC000042548221 183282587 /nfs/dbraw/zinc/28/25/87/183282587.db2.gz WWEZLCLNQRXGEB-UHFFFAOYSA-N 2 1 314.202 2.879 10 0 DFAEMP C[N@@H+](Cc1ccc(Br)cc1)Cc1cccnc1C[NH3+] ZINC000061656669 184181261 /nfs/dbraw/zinc/18/12/61/184181261.db2.gz XJDRTEVFKIXUGS-UHFFFAOYSA-N 2 1 320.234 2.935 10 0 DFAEMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(-c2ccnn2C)c1 ZINC000261961093 146309837 /nfs/dbraw/zinc/30/98/37/146309837.db2.gz PFYKQHPALVAJSL-SFHVURJKSA-N 2 1 312.461 2.955 10 0 DFAEMP [NH3+][C@H](c1ccccc1)C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000029050679 425824099 /nfs/dbraw/zinc/82/40/99/425824099.db2.gz QZUZDXQRPMHXBK-MRXNPFEDSA-N 2 1 307.401 2.874 10 0 DFAEMP C[NH2+]CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(Cl)c1 ZINC000033358710 425842019 /nfs/dbraw/zinc/84/20/19/425842019.db2.gz BKKAPFQCJDVXQI-XYPWUTKMSA-N 2 1 312.816 2.556 10 0 DFAEMP