smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(S(=O)(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000262053157 1074302889 /nfs/dbraw/zinc/30/28/89/1074302889.db2.gz INNQQSYLDVHQQY-UHFFFAOYSA-N 2 1 388.538 -2.082 20 0 GAADMP Cn1ncc2c1ncnc2N1CCN(C(=O)CN2[C@@H](CO)CC[C@@H]2CO)CC1 ZINC000287182843 1075574876 /nfs/dbraw/zinc/57/48/76/1075574876.db2.gz COFZMOMZZYZDNI-ZIAGYGMSSA-N 2 1 389.460 -1.171 20 0 GAADMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCO1 ZINC000331890283 1075501179 /nfs/dbraw/zinc/50/11/79/1075501179.db2.gz RBINFUWCXOKEKH-CABCVRRESA-N 2 1 381.477 -1.802 20 0 GAADMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCO1 ZINC000331890284 1075501160 /nfs/dbraw/zinc/50/11/60/1075501160.db2.gz RBINFUWCXOKEKH-GJZGRUSLSA-N 2 1 381.477 -1.802 20 0 GAADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCO1 ZINC000331890285 1075501196 /nfs/dbraw/zinc/50/11/96/1075501196.db2.gz RBINFUWCXOKEKH-HUUCEWRRSA-N 2 1 381.477 -1.802 20 0 GAADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCO1 ZINC000331890286 1075501109 /nfs/dbraw/zinc/50/11/09/1075501109.db2.gz RBINFUWCXOKEKH-LSDHHAIUSA-N 2 1 381.477 -1.802 20 0 GAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000332294464 1075503293 /nfs/dbraw/zinc/50/32/93/1075503293.db2.gz KCIWGPUZUJNAKX-CVEARBPZSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000332294464 1075503291 /nfs/dbraw/zinc/50/32/91/1075503291.db2.gz KCIWGPUZUJNAKX-CVEARBPZSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000332294466 1075503245 /nfs/dbraw/zinc/50/32/45/1075503245.db2.gz KCIWGPUZUJNAKX-HOTGVXAUSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000332294466 1075503243 /nfs/dbraw/zinc/50/32/43/1075503243.db2.gz KCIWGPUZUJNAKX-HOTGVXAUSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000332294468 1075503235 /nfs/dbraw/zinc/50/32/35/1075503235.db2.gz KCIWGPUZUJNAKX-HZPDHXFCSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000332294468 1075503231 /nfs/dbraw/zinc/50/32/31/1075503231.db2.gz KCIWGPUZUJNAKX-HZPDHXFCSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000332294470 1075503385 /nfs/dbraw/zinc/50/33/85/1075503385.db2.gz KCIWGPUZUJNAKX-JKSUJKDBSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000332294470 1075503380 /nfs/dbraw/zinc/50/33/80/1075503380.db2.gz KCIWGPUZUJNAKX-JKSUJKDBSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@H+]1CC(C)(C)O ZINC000332385874 1075503816 /nfs/dbraw/zinc/50/38/16/1075503816.db2.gz IMGCDICAEUFVBG-CVEARBPZSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000332385874 1075503814 /nfs/dbraw/zinc/50/38/14/1075503814.db2.gz IMGCDICAEUFVBG-CVEARBPZSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@H+]1CC(C)(C)O ZINC000332385877 1075503598 /nfs/dbraw/zinc/50/35/98/1075503598.db2.gz IMGCDICAEUFVBG-HOTGVXAUSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000332385877 1075503593 /nfs/dbraw/zinc/50/35/93/1075503593.db2.gz IMGCDICAEUFVBG-HOTGVXAUSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@H+]1CC(C)(C)O ZINC000332385880 1075503627 /nfs/dbraw/zinc/50/36/27/1075503627.db2.gz IMGCDICAEUFVBG-HZPDHXFCSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000332385880 1075503625 /nfs/dbraw/zinc/50/36/25/1075503625.db2.gz IMGCDICAEUFVBG-HZPDHXFCSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@H+]1CC(C)(C)O ZINC000332385883 1075503616 /nfs/dbraw/zinc/50/36/16/1075503616.db2.gz IMGCDICAEUFVBG-JKSUJKDBSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000332385883 1075503609 /nfs/dbraw/zinc/50/36/09/1075503609.db2.gz IMGCDICAEUFVBG-JKSUJKDBSA-N 2 1 381.521 -1.204 20 0 GAADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCO1 ZINC000332472467 1075504640 /nfs/dbraw/zinc/50/46/40/1075504640.db2.gz NPBFPEYYPBZOIW-CVEARBPZSA-N 2 1 395.504 -1.460 20 0 GAADMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCO1 ZINC000332472468 1075504582 /nfs/dbraw/zinc/50/45/82/1075504582.db2.gz NPBFPEYYPBZOIW-HOTGVXAUSA-N 2 1 395.504 -1.460 20 0 GAADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCO1 ZINC000332472469 1075504564 /nfs/dbraw/zinc/50/45/64/1075504564.db2.gz NPBFPEYYPBZOIW-HZPDHXFCSA-N 2 1 395.504 -1.460 20 0 GAADMP C[NH+](C)C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCO1 ZINC000332472470 1075504660 /nfs/dbraw/zinc/50/46/60/1075504660.db2.gz NPBFPEYYPBZOIW-JKSUJKDBSA-N 2 1 395.504 -1.460 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000332637936 1075506848 /nfs/dbraw/zinc/50/68/48/1075506848.db2.gz IOVVTAIJBWLFPA-CVEARBPZSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000332637936 1075506843 /nfs/dbraw/zinc/50/68/43/1075506843.db2.gz IOVVTAIJBWLFPA-CVEARBPZSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000332637938 1075506877 /nfs/dbraw/zinc/50/68/77/1075506877.db2.gz IOVVTAIJBWLFPA-HOTGVXAUSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000332637938 1075506873 /nfs/dbraw/zinc/50/68/73/1075506873.db2.gz IOVVTAIJBWLFPA-HOTGVXAUSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000332637941 1075506775 /nfs/dbraw/zinc/50/67/75/1075506775.db2.gz IOVVTAIJBWLFPA-HZPDHXFCSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000332637941 1075506771 /nfs/dbraw/zinc/50/67/71/1075506771.db2.gz IOVVTAIJBWLFPA-HZPDHXFCSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@H+]1CC(C)(C)O ZINC000332637944 1075506819 /nfs/dbraw/zinc/50/68/19/1075506819.db2.gz IOVVTAIJBWLFPA-JKSUJKDBSA-N 2 1 381.521 -1.204 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000332637944 1075506815 /nfs/dbraw/zinc/50/68/15/1075506815.db2.gz IOVVTAIJBWLFPA-JKSUJKDBSA-N 2 1 381.521 -1.204 20 0 GAADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333294843 530103025 /nfs/dbraw/zinc/10/30/25/530103025.db2.gz IFVFNSWPTWOXII-CYBMUJFWSA-N 2 1 375.495 -1.664 20 0 GAADMP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333294843 530103023 /nfs/dbraw/zinc/10/30/23/530103023.db2.gz IFVFNSWPTWOXII-CYBMUJFWSA-N 2 1 375.495 -1.664 20 0 GAADMP COCC[N@H+]1CC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333294854 530102677 /nfs/dbraw/zinc/10/26/77/530102677.db2.gz IFVFNSWPTWOXII-ZDUSSCGKSA-N 2 1 375.495 -1.664 20 0 GAADMP COCC[N@@H+]1CC[C@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000333294854 530102675 /nfs/dbraw/zinc/10/26/75/530102675.db2.gz IFVFNSWPTWOXII-ZDUSSCGKSA-N 2 1 375.495 -1.664 20 0 GAADMP COCC1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000333743465 1075513853 /nfs/dbraw/zinc/51/38/53/1075513853.db2.gz XYGVIQOZPFLWRY-UHFFFAOYSA-N 2 1 389.522 -1.369 20 0 GAADMP COCC[NH+]1CCC(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000333937955 1075514638 /nfs/dbraw/zinc/51/46/38/1075514638.db2.gz MAINJXQNNLEWRN-UHFFFAOYSA-N 2 1 389.522 -1.274 20 0 GAADMP O=C(C[NH+]1C[C@H](O)C2(CC2)C1)N1CCN(C(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)CC1 ZINC000364451656 1075599490 /nfs/dbraw/zinc/59/94/90/1075599490.db2.gz YLAUQXGWBWRWGW-HOTGVXAUSA-N 2 1 392.500 -1.429 20 0 GAADMP O=C(C[NH+]1C[C@@H](O)C2(CC2)C1)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)C3(CC3)C2)CC1 ZINC000364451661 1075599422 /nfs/dbraw/zinc/59/94/22/1075599422.db2.gz YLAUQXGWBWRWGW-HZPDHXFCSA-N 2 1 392.500 -1.429 20 0 GAADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](CC(=O)N1CCNC1=O)CC2)N1CCNC1=O ZINC000368763432 1075624657 /nfs/dbraw/zinc/62/46/57/1075624657.db2.gz SPHQSEGJYYHFKC-UHFFFAOYSA-N 2 1 392.460 -1.122 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000369391754 1075627305 /nfs/dbraw/zinc/62/73/05/1075627305.db2.gz BOZAXJYRPCUUDO-KRWDZBQOSA-N 2 1 396.536 -1.144 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000369391754 1075627301 /nfs/dbraw/zinc/62/73/01/1075627301.db2.gz BOZAXJYRPCUUDO-KRWDZBQOSA-N 2 1 396.536 -1.144 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000369391755 1075627344 /nfs/dbraw/zinc/62/73/44/1075627344.db2.gz BOZAXJYRPCUUDO-QGZVFWFLSA-N 2 1 396.536 -1.144 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC000369391755 1075627341 /nfs/dbraw/zinc/62/73/41/1075627341.db2.gz BOZAXJYRPCUUDO-QGZVFWFLSA-N 2 1 396.536 -1.144 20 0 GAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000369470365 1075628149 /nfs/dbraw/zinc/62/81/49/1075628149.db2.gz PKGWTVLBBPMVJU-CABCVRRESA-N 2 1 378.477 -0.559 20 0 GAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000369470367 1075628175 /nfs/dbraw/zinc/62/81/75/1075628175.db2.gz PKGWTVLBBPMVJU-GJZGRUSLSA-N 2 1 378.477 -0.559 20 0 GAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000369470369 1075628190 /nfs/dbraw/zinc/62/81/90/1075628190.db2.gz PKGWTVLBBPMVJU-HUUCEWRRSA-N 2 1 378.477 -0.559 20 0 GAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000369470370 1075628182 /nfs/dbraw/zinc/62/81/82/1075628182.db2.gz PKGWTVLBBPMVJU-LSDHHAIUSA-N 2 1 378.477 -0.559 20 0 GAADMP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC000369929112 1075629739 /nfs/dbraw/zinc/62/97/39/1075629739.db2.gz XFGWYGIDLDZKTJ-DLBZAZTESA-N 2 1 381.521 -1.081 20 0 GAADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC000369929113 1075629747 /nfs/dbraw/zinc/62/97/47/1075629747.db2.gz XFGWYGIDLDZKTJ-IAGOWNOFSA-N 2 1 381.521 -1.081 20 0 GAADMP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC000369929114 1075629754 /nfs/dbraw/zinc/62/97/54/1075629754.db2.gz XFGWYGIDLDZKTJ-IRXDYDNUSA-N 2 1 381.521 -1.081 20 0 GAADMP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC000369929115 1075629790 /nfs/dbraw/zinc/62/97/90/1075629790.db2.gz XFGWYGIDLDZKTJ-SJORKVTESA-N 2 1 381.521 -1.081 20 0 GAADMP CS(=O)(=O)NCC[N@H+]1CCC2(C1)CC[NH+](CCNS(C)(=O)=O)CC2 ZINC000376365115 530106199 /nfs/dbraw/zinc/10/61/99/530106199.db2.gz FJVAVGJQIPQNLS-UHFFFAOYSA-N 2 1 382.552 -1.127 20 0 GAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000410497959 1075647578 /nfs/dbraw/zinc/64/75/78/1075647578.db2.gz LXWUCEKTLUMIJV-INIZCTEOSA-N 2 1 397.520 -1.212 20 0 GAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000410497960 1075647683 /nfs/dbraw/zinc/64/76/83/1075647683.db2.gz LXWUCEKTLUMIJV-MRXNPFEDSA-N 2 1 397.520 -1.212 20 0 GAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)CC[N@H+]1C ZINC000410728084 1075652353 /nfs/dbraw/zinc/65/23/53/1075652353.db2.gz DCHMVEDJRKCVEN-CABCVRRESA-N 2 1 383.493 -1.571 20 0 GAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)CC[N@@H+]1C ZINC000410728084 1075652350 /nfs/dbraw/zinc/65/23/50/1075652350.db2.gz DCHMVEDJRKCVEN-CABCVRRESA-N 2 1 383.493 -1.571 20 0 GAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)CC[N@H+]1C ZINC000410728086 1075652449 /nfs/dbraw/zinc/65/24/49/1075652449.db2.gz DCHMVEDJRKCVEN-GJZGRUSLSA-N 2 1 383.493 -1.571 20 0 GAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)CC[N@@H+]1C ZINC000410728086 1075652445 /nfs/dbraw/zinc/65/24/45/1075652445.db2.gz DCHMVEDJRKCVEN-GJZGRUSLSA-N 2 1 383.493 -1.571 20 0 GAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)CC[N@H+]1C ZINC000410728088 1075652393 /nfs/dbraw/zinc/65/23/93/1075652393.db2.gz DCHMVEDJRKCVEN-HUUCEWRRSA-N 2 1 383.493 -1.571 20 0 GAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](CN(C)CC(N)=O)C2)CC[N@@H+]1C ZINC000410728088 1075652388 /nfs/dbraw/zinc/65/23/88/1075652388.db2.gz DCHMVEDJRKCVEN-HUUCEWRRSA-N 2 1 383.493 -1.571 20 0 GAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)CC[N@H+]1C ZINC000410728090 1075652241 /nfs/dbraw/zinc/65/22/41/1075652241.db2.gz DCHMVEDJRKCVEN-LSDHHAIUSA-N 2 1 383.493 -1.571 20 0 GAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](CN(C)CC(N)=O)C2)CC[N@@H+]1C ZINC000410728090 1075652239 /nfs/dbraw/zinc/65/22/39/1075652239.db2.gz DCHMVEDJRKCVEN-LSDHHAIUSA-N 2 1 383.493 -1.571 20 0 GAADMP C[NH+](C)CCn1ccc(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n1 ZINC000415216599 1074872477 /nfs/dbraw/zinc/87/24/77/1074872477.db2.gz PKAMHBVJGJLDAA-UHFFFAOYSA-N 2 1 385.494 -1.104 20 0 GAADMP COCC[N@@H+](C)CCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417092639 530100122 /nfs/dbraw/zinc/10/01/22/530100122.db2.gz MOZQWMAQGXENSD-UHFFFAOYSA-N 2 1 377.511 -1.417 20 0 GAADMP COCC[N@H+](C)CCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417092639 530100121 /nfs/dbraw/zinc/10/01/21/530100121.db2.gz MOZQWMAQGXENSD-UHFFFAOYSA-N 2 1 377.511 -1.417 20 0 GAADMP COCCC[N@@H+](C)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417754491 530101110 /nfs/dbraw/zinc/10/11/10/530101110.db2.gz PLCBBOYBAKQDHD-UHFFFAOYSA-N 2 1 377.511 -1.417 20 0 GAADMP COCCC[N@H+](C)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417754491 530101108 /nfs/dbraw/zinc/10/11/08/530101108.db2.gz PLCBBOYBAKQDHD-UHFFFAOYSA-N 2 1 377.511 -1.417 20 0 GAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000418911912 1073959470 /nfs/dbraw/zinc/95/94/70/1073959470.db2.gz COABMTQBERGLQI-CVEARBPZSA-N 2 1 397.520 -1.227 20 0 GAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000418911913 1073959417 /nfs/dbraw/zinc/95/94/17/1073959417.db2.gz COABMTQBERGLQI-HOTGVXAUSA-N 2 1 397.520 -1.227 20 0 GAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000418911914 1073959605 /nfs/dbraw/zinc/95/96/05/1073959605.db2.gz COABMTQBERGLQI-HZPDHXFCSA-N 2 1 397.520 -1.227 20 0 GAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000418911915 1073959524 /nfs/dbraw/zinc/95/95/24/1073959524.db2.gz COABMTQBERGLQI-JKSUJKDBSA-N 2 1 397.520 -1.227 20 0 GAADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418932259 1073414094 /nfs/dbraw/zinc/41/40/94/1073414094.db2.gz HRGCBKGBLCXFHQ-CYBMUJFWSA-N 2 1 389.522 -1.721 20 0 GAADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000418932266 1073414157 /nfs/dbraw/zinc/41/41/57/1073414157.db2.gz HRGCBKGBLCXFHQ-ZDUSSCGKSA-N 2 1 389.522 -1.721 20 0 GAADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419144978 530110082 /nfs/dbraw/zinc/11/00/82/530110082.db2.gz HIKYSZHCHPPXRH-GFCCVEGCSA-N 2 1 375.495 -2.111 20 0 GAADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419144979 530110074 /nfs/dbraw/zinc/11/00/74/530110074.db2.gz HIKYSZHCHPPXRH-LBPRGKRZSA-N 2 1 375.495 -2.111 20 0 GAADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419160774 1073971803 /nfs/dbraw/zinc/97/18/03/1073971803.db2.gz IAAJQZOSBDZAHP-HNNXBMFYSA-N 2 1 375.477 -1.075 20 0 GAADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000419160775 1073971926 /nfs/dbraw/zinc/97/19/26/1073971926.db2.gz IAAJQZOSBDZAHP-OAHLLOKOSA-N 2 1 375.477 -1.075 20 0 GAADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC1 ZINC000419243274 1073985558 /nfs/dbraw/zinc/98/55/58/1073985558.db2.gz SIPDOTZBIMNFGF-UHFFFAOYSA-N 2 1 387.506 -1.967 20 0 GAADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419281479 1073988097 /nfs/dbraw/zinc/98/80/97/1073988097.db2.gz GWNZFSQZIHEJBC-UHFFFAOYSA-N 2 1 389.522 -1.720 20 0 GAADMP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419281479 1073988090 /nfs/dbraw/zinc/98/80/90/1073988090.db2.gz GWNZFSQZIHEJBC-UHFFFAOYSA-N 2 1 389.522 -1.720 20 0 GAADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C[NH+]1CCOCC1 ZINC000419302811 1073988531 /nfs/dbraw/zinc/98/85/31/1073988531.db2.gz QOGKNCCHYRLFKD-CVEARBPZSA-N 2 1 397.520 -1.083 20 0 GAADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])C[NH+]1CCOCC1 ZINC000419302812 1073988543 /nfs/dbraw/zinc/98/85/43/1073988543.db2.gz QOGKNCCHYRLFKD-HOTGVXAUSA-N 2 1 397.520 -1.083 20 0 GAADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C[NH+]1CCOCC1 ZINC000419302813 1073988651 /nfs/dbraw/zinc/98/86/51/1073988651.db2.gz QOGKNCCHYRLFKD-HZPDHXFCSA-N 2 1 397.520 -1.083 20 0 GAADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])C[NH+]1CCOCC1 ZINC000419302814 1073988464 /nfs/dbraw/zinc/98/84/64/1073988464.db2.gz QOGKNCCHYRLFKD-JKSUJKDBSA-N 2 1 397.520 -1.083 20 0 GAADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419345189 1073990335 /nfs/dbraw/zinc/99/03/35/1073990335.db2.gz KGLBZLPZVZJNMU-BFHYXJOUSA-N 2 1 383.493 -1.081 20 0 GAADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419345190 1073990912 /nfs/dbraw/zinc/99/09/12/1073990912.db2.gz KGLBZLPZVZJNMU-IHRRRGAJSA-N 2 1 383.493 -1.081 20 0 GAADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000419345191 1073991004 /nfs/dbraw/zinc/99/10/04/1073991004.db2.gz KGLBZLPZVZJNMU-MELADBBJSA-N 2 1 383.493 -1.081 20 0 GAADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000419345192 1073991090 /nfs/dbraw/zinc/99/10/90/1073991090.db2.gz KGLBZLPZVZJNMU-MJBXVCDLSA-N 2 1 383.493 -1.081 20 0 GAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419352707 1073991601 /nfs/dbraw/zinc/99/16/01/1073991601.db2.gz ITMYUFMPZAGWMI-UHFFFAOYSA-N 2 1 391.494 -2.873 20 0 GAADMP COCC[N@H+](C)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419352707 1073991598 /nfs/dbraw/zinc/99/15/98/1073991598.db2.gz ITMYUFMPZAGWMI-UHFFFAOYSA-N 2 1 391.494 -2.873 20 0 GAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419356298 1073992096 /nfs/dbraw/zinc/99/20/96/1073992096.db2.gz MQXZSSLXPXGLBK-HNNXBMFYSA-N 2 1 383.493 -1.649 20 0 GAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419356303 1073992271 /nfs/dbraw/zinc/99/22/71/1073992271.db2.gz MQXZSSLXPXGLBK-OAHLLOKOSA-N 2 1 383.493 -1.649 20 0 GAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419448448 1074005034 /nfs/dbraw/zinc/00/50/34/1074005034.db2.gz IRAFTSKHFRMHTK-HNNXBMFYSA-N 2 1 383.493 -1.506 20 0 GAADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419448448 1074005024 /nfs/dbraw/zinc/00/50/24/1074005024.db2.gz IRAFTSKHFRMHTK-HNNXBMFYSA-N 2 1 383.493 -1.506 20 0 GAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419448449 1074004897 /nfs/dbraw/zinc/00/48/97/1074004897.db2.gz IRAFTSKHFRMHTK-OAHLLOKOSA-N 2 1 383.493 -1.506 20 0 GAADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419448449 1074004886 /nfs/dbraw/zinc/00/48/86/1074004886.db2.gz IRAFTSKHFRMHTK-OAHLLOKOSA-N 2 1 383.493 -1.506 20 0 GAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419452415 1074004804 /nfs/dbraw/zinc/00/48/04/1074004804.db2.gz PJKBYGDXCCRVAF-INIZCTEOSA-N 2 1 397.520 -1.259 20 0 GAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419452418 1074004715 /nfs/dbraw/zinc/00/47/15/1074004715.db2.gz PJKBYGDXCCRVAF-MRXNPFEDSA-N 2 1 397.520 -1.259 20 0 GAADMP CC[N@@H+](CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000419526979 1074006952 /nfs/dbraw/zinc/00/69/52/1074006952.db2.gz UNKOFFGYPKXRQX-UHFFFAOYSA-N 2 1 387.506 -1.967 20 0 GAADMP CC[N@H+](CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1CC1 ZINC000419526979 1074006947 /nfs/dbraw/zinc/00/69/47/1074006947.db2.gz UNKOFFGYPKXRQX-UHFFFAOYSA-N 2 1 387.506 -1.967 20 0 GAADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419528496 1074293362 /nfs/dbraw/zinc/29/33/62/1074293362.db2.gz WBYFMZKHTJVXOB-CYBMUJFWSA-N 2 1 389.522 -1.721 20 0 GAADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419528496 1074293359 /nfs/dbraw/zinc/29/33/59/1074293359.db2.gz WBYFMZKHTJVXOB-CYBMUJFWSA-N 2 1 389.522 -1.721 20 0 GAADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419528497 1074006989 /nfs/dbraw/zinc/00/69/89/1074006989.db2.gz WBYFMZKHTJVXOB-ZDUSSCGKSA-N 2 1 389.522 -1.721 20 0 GAADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419528497 1074006979 /nfs/dbraw/zinc/00/69/79/1074006979.db2.gz WBYFMZKHTJVXOB-ZDUSSCGKSA-N 2 1 389.522 -1.721 20 0 GAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419537431 1074007055 /nfs/dbraw/zinc/00/70/55/1074007055.db2.gz NOGLAGVZMYFRCM-CVEARBPZSA-N 2 1 395.504 -1.364 20 0 GAADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419537431 1074007046 /nfs/dbraw/zinc/00/70/46/1074007046.db2.gz NOGLAGVZMYFRCM-CVEARBPZSA-N 2 1 395.504 -1.364 20 0 GAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419537432 1074006711 /nfs/dbraw/zinc/00/67/11/1074006711.db2.gz NOGLAGVZMYFRCM-HOTGVXAUSA-N 2 1 395.504 -1.364 20 0 GAADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419537432 1074006698 /nfs/dbraw/zinc/00/66/98/1074006698.db2.gz NOGLAGVZMYFRCM-HOTGVXAUSA-N 2 1 395.504 -1.364 20 0 GAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419537433 1074006910 /nfs/dbraw/zinc/00/69/10/1074006910.db2.gz NOGLAGVZMYFRCM-HZPDHXFCSA-N 2 1 395.504 -1.364 20 0 GAADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419537433 1074006902 /nfs/dbraw/zinc/00/69/02/1074006902.db2.gz NOGLAGVZMYFRCM-HZPDHXFCSA-N 2 1 395.504 -1.364 20 0 GAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419537434 1074007147 /nfs/dbraw/zinc/00/71/47/1074007147.db2.gz NOGLAGVZMYFRCM-JKSUJKDBSA-N 2 1 395.504 -1.364 20 0 GAADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419537434 1074007137 /nfs/dbraw/zinc/00/71/37/1074007137.db2.gz NOGLAGVZMYFRCM-JKSUJKDBSA-N 2 1 395.504 -1.364 20 0 GAADMP C[C@H]1[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@H+]1C ZINC000419554772 1074007623 /nfs/dbraw/zinc/00/76/23/1074007623.db2.gz IMTCXJJYVQICMP-GXTWGEPZSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@H]1[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000419554772 1074007614 /nfs/dbraw/zinc/00/76/14/1074007614.db2.gz IMTCXJJYVQICMP-GXTWGEPZSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@H]1[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@H+]1C ZINC000419554773 1074007379 /nfs/dbraw/zinc/00/73/79/1074007379.db2.gz IMTCXJJYVQICMP-JSGCOSHPSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@H]1[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000419554773 1074007372 /nfs/dbraw/zinc/00/73/72/1074007372.db2.gz IMTCXJJYVQICMP-JSGCOSHPSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@H+]1C ZINC000419554774 1074007449 /nfs/dbraw/zinc/00/74/49/1074007449.db2.gz IMTCXJJYVQICMP-OCCSQVGLSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@@H]1[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000419554774 1074007438 /nfs/dbraw/zinc/00/74/38/1074007438.db2.gz IMTCXJJYVQICMP-OCCSQVGLSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@H+]1C ZINC000419554775 1074007556 /nfs/dbraw/zinc/00/75/56/1074007556.db2.gz IMTCXJJYVQICMP-TZMCWYRMSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@@H]1[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[N@@H+]1C ZINC000419554775 1074007546 /nfs/dbraw/zinc/00/75/46/1074007546.db2.gz IMTCXJJYVQICMP-TZMCWYRMSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@H](CNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000419583322 1074008135 /nfs/dbraw/zinc/00/81/35/1074008135.db2.gz KGUZVBKIJCKYBO-GFCCVEGCSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@H](CNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000419583322 1074008124 /nfs/dbraw/zinc/00/81/24/1074008124.db2.gz KGUZVBKIJCKYBO-GFCCVEGCSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@@H](CNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[N@@H+](C)C1CC1 ZINC000419583324 1074007945 /nfs/dbraw/zinc/00/79/45/1074007945.db2.gz KGUZVBKIJCKYBO-LBPRGKRZSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@@H](CNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[N@H+](C)C1CC1 ZINC000419583324 1074007939 /nfs/dbraw/zinc/00/79/39/1074007939.db2.gz KGUZVBKIJCKYBO-LBPRGKRZSA-N 2 1 387.506 -1.969 20 0 GAADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCSC1 ZINC000419584328 1074008303 /nfs/dbraw/zinc/00/83/03/1074008303.db2.gz MGLHGSNGIMZAIM-KBXCAEBGSA-N 2 1 397.545 -1.037 20 0 GAADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCSC1 ZINC000419584329 1074008208 /nfs/dbraw/zinc/00/82/08/1074008208.db2.gz MGLHGSNGIMZAIM-KDOFPFPSSA-N 2 1 397.545 -1.037 20 0 GAADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCSC1 ZINC000419584330 1074008079 /nfs/dbraw/zinc/00/80/79/1074008079.db2.gz MGLHGSNGIMZAIM-KSSFIOAISA-N 2 1 397.545 -1.037 20 0 GAADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCSC1 ZINC000419584331 1074008042 /nfs/dbraw/zinc/00/80/42/1074008042.db2.gz MGLHGSNGIMZAIM-RDTXWAMCSA-N 2 1 397.545 -1.037 20 0 GAADMP C[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000419630238 1074008269 /nfs/dbraw/zinc/00/82/69/1074008269.db2.gz SSBQTFDEIVRZSD-CYBMUJFWSA-N 2 1 399.517 -1.801 20 0 GAADMP C[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1=CC[N@H+](C)CC1 ZINC000419630238 1074008257 /nfs/dbraw/zinc/00/82/57/1074008257.db2.gz SSBQTFDEIVRZSD-CYBMUJFWSA-N 2 1 399.517 -1.801 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000419630239 1074008775 /nfs/dbraw/zinc/00/87/75/1074008775.db2.gz SSBQTFDEIVRZSD-ZDUSSCGKSA-N 2 1 399.517 -1.801 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1=CC[N@H+](C)CC1 ZINC000419630239 1074008766 /nfs/dbraw/zinc/00/87/66/1074008766.db2.gz SSBQTFDEIVRZSD-ZDUSSCGKSA-N 2 1 399.517 -1.801 20 0 GAADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419633780 1074008844 /nfs/dbraw/zinc/00/88/44/1074008844.db2.gz BRAQMWXADUKJQY-CYBMUJFWSA-N 2 1 399.517 -1.967 20 0 GAADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419633780 1074008837 /nfs/dbraw/zinc/00/88/37/1074008837.db2.gz BRAQMWXADUKJQY-CYBMUJFWSA-N 2 1 399.517 -1.967 20 0 GAADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419633783 1074008973 /nfs/dbraw/zinc/00/89/73/1074008973.db2.gz BRAQMWXADUKJQY-ZDUSSCGKSA-N 2 1 399.517 -1.967 20 0 GAADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419633783 1074008963 /nfs/dbraw/zinc/00/89/63/1074008963.db2.gz BRAQMWXADUKJQY-ZDUSSCGKSA-N 2 1 399.517 -1.967 20 0 GAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419678936 1074008632 /nfs/dbraw/zinc/00/86/32/1074008632.db2.gz OUAGKNCNHNBECY-HNNXBMFYSA-N 2 1 383.493 -1.506 20 0 GAADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000419678936 1074008616 /nfs/dbraw/zinc/00/86/16/1074008616.db2.gz OUAGKNCNHNBECY-HNNXBMFYSA-N 2 1 383.493 -1.506 20 0 GAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419678938 1074008808 /nfs/dbraw/zinc/00/88/08/1074008808.db2.gz OUAGKNCNHNBECY-OAHLLOKOSA-N 2 1 383.493 -1.506 20 0 GAADMP COCC[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000419678938 1074008801 /nfs/dbraw/zinc/00/88/01/1074008801.db2.gz OUAGKNCNHNBECY-OAHLLOKOSA-N 2 1 383.493 -1.506 20 0 GAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419683839 1074009487 /nfs/dbraw/zinc/00/94/87/1074009487.db2.gz VNHNITFDQDQDOB-INIZCTEOSA-N 2 1 397.520 -1.259 20 0 GAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000419683841 1074009405 /nfs/dbraw/zinc/00/94/05/1074009405.db2.gz VNHNITFDQDQDOB-MRXNPFEDSA-N 2 1 397.520 -1.259 20 0 GAADMP CC[NH+](CC)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419740740 530110295 /nfs/dbraw/zinc/11/02/95/530110295.db2.gz XZOZWYFFLUFDQD-UHFFFAOYSA-N 2 1 375.495 -2.110 20 0 GAADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419768322 1074009932 /nfs/dbraw/zinc/00/99/32/1074009932.db2.gz UHKCOHWBFBKOAE-UHFFFAOYSA-N 2 1 389.522 -1.720 20 0 GAADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419768322 1074009920 /nfs/dbraw/zinc/00/99/20/1074009920.db2.gz UHKCOHWBFBKOAE-UHFFFAOYSA-N 2 1 389.522 -1.720 20 0 GAADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419768381 1074009672 /nfs/dbraw/zinc/00/96/72/1074009672.db2.gz BTPALOZNYXNIOC-CYBMUJFWSA-N 2 1 389.522 -1.721 20 0 GAADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419782100 1074009697 /nfs/dbraw/zinc/00/96/97/1074009697.db2.gz SZLZHUNUHQIRNW-UHFFFAOYSA-N 2 1 391.494 -2.873 20 0 GAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419864499 1074011703 /nfs/dbraw/zinc/01/17/03/1074011703.db2.gz JBXUQURTLRHIRA-INIZCTEOSA-N 2 1 394.520 -1.837 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419864503 1074011859 /nfs/dbraw/zinc/01/18/59/1074011859.db2.gz JBXUQURTLRHIRA-MRXNPFEDSA-N 2 1 394.520 -1.837 20 0 GAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419896969 1074013533 /nfs/dbraw/zinc/01/35/33/1074013533.db2.gz YKGCGCVXIUSDRL-KRWDZBQOSA-N 2 1 380.537 -1.364 20 0 GAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419896970 1074013299 /nfs/dbraw/zinc/01/32/99/1074013299.db2.gz YKGCGCVXIUSDRL-QGZVFWFLSA-N 2 1 380.537 -1.364 20 0 GAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423266792 1074048214 /nfs/dbraw/zinc/04/82/14/1074048214.db2.gz SEMTURAXJLSRMD-HNNXBMFYSA-N 2 1 383.493 -1.554 20 0 GAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423266793 1074048120 /nfs/dbraw/zinc/04/81/20/1074048120.db2.gz SEMTURAXJLSRMD-OAHLLOKOSA-N 2 1 383.493 -1.554 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423466269 1074049799 /nfs/dbraw/zinc/04/97/99/1074049799.db2.gz NFFSBCJUZPSTLW-CABCVRRESA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423466269 1074049784 /nfs/dbraw/zinc/04/97/84/1074049784.db2.gz NFFSBCJUZPSTLW-CABCVRRESA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423466271 1074049902 /nfs/dbraw/zinc/04/99/02/1074049902.db2.gz NFFSBCJUZPSTLW-GJZGRUSLSA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423466271 1074049895 /nfs/dbraw/zinc/04/98/95/1074049895.db2.gz NFFSBCJUZPSTLW-GJZGRUSLSA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423466273 1074050044 /nfs/dbraw/zinc/05/00/44/1074050044.db2.gz NFFSBCJUZPSTLW-HUUCEWRRSA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423466273 1074050039 /nfs/dbraw/zinc/05/00/39/1074050039.db2.gz NFFSBCJUZPSTLW-HUUCEWRRSA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423466274 1074050026 /nfs/dbraw/zinc/05/00/26/1074050026.db2.gz NFFSBCJUZPSTLW-LSDHHAIUSA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423466274 1074050024 /nfs/dbraw/zinc/05/00/24/1074050024.db2.gz NFFSBCJUZPSTLW-LSDHHAIUSA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423537951 1074051922 /nfs/dbraw/zinc/05/19/22/1074051922.db2.gz LKDMMAUARSMFIN-CABCVRRESA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423537951 1074051918 /nfs/dbraw/zinc/05/19/18/1074051918.db2.gz LKDMMAUARSMFIN-CABCVRRESA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423537952 1074051816 /nfs/dbraw/zinc/05/18/16/1074051816.db2.gz LKDMMAUARSMFIN-GJZGRUSLSA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423537952 1074051807 /nfs/dbraw/zinc/05/18/07/1074051807.db2.gz LKDMMAUARSMFIN-GJZGRUSLSA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423537953 1074051991 /nfs/dbraw/zinc/05/19/91/1074051991.db2.gz LKDMMAUARSMFIN-HUUCEWRRSA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423537953 1074051983 /nfs/dbraw/zinc/05/19/83/1074051983.db2.gz LKDMMAUARSMFIN-HUUCEWRRSA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423537954 1074051789 /nfs/dbraw/zinc/05/17/89/1074051789.db2.gz LKDMMAUARSMFIN-LSDHHAIUSA-N 2 1 397.520 -1.397 20 0 GAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423537954 1074051782 /nfs/dbraw/zinc/05/17/82/1074051782.db2.gz LKDMMAUARSMFIN-LSDHHAIUSA-N 2 1 397.520 -1.397 20 0 GAADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000423602645 1074053624 /nfs/dbraw/zinc/05/36/24/1074053624.db2.gz HIKCIMXBZIDXDL-UHFFFAOYSA-N 2 1 387.506 -2.014 20 0 GAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000423620415 1074056388 /nfs/dbraw/zinc/05/63/88/1074056388.db2.gz WFKIEHMYFQUZTI-UHFFFAOYSA-N 2 1 387.506 -2.015 20 0 GAADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000423620415 1074056383 /nfs/dbraw/zinc/05/63/83/1074056383.db2.gz WFKIEHMYFQUZTI-UHFFFAOYSA-N 2 1 387.506 -2.015 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC000423627678 1074057016 /nfs/dbraw/zinc/05/70/16/1074057016.db2.gz ISDFLCXCKHZBCW-QLFBSQMISA-N 2 1 383.493 -1.787 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC000423627678 1074057008 /nfs/dbraw/zinc/05/70/08/1074057008.db2.gz ISDFLCXCKHZBCW-QLFBSQMISA-N 2 1 383.493 -1.787 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC000423627679 1074056778 /nfs/dbraw/zinc/05/67/78/1074056778.db2.gz ISDFLCXCKHZBCW-ZNMIVQPWSA-N 2 1 383.493 -1.787 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC000423627679 1074056771 /nfs/dbraw/zinc/05/67/71/1074056771.db2.gz ISDFLCXCKHZBCW-ZNMIVQPWSA-N 2 1 383.493 -1.787 20 0 GAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423659335 1074057472 /nfs/dbraw/zinc/05/74/72/1074057472.db2.gz DVJPIXLIAHUQGL-HNNXBMFYSA-N 2 1 397.520 -1.252 20 0 GAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423659339 1074057434 /nfs/dbraw/zinc/05/74/34/1074057434.db2.gz DVJPIXLIAHUQGL-OAHLLOKOSA-N 2 1 397.520 -1.252 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000423683301 1074059172 /nfs/dbraw/zinc/05/91/72/1074059172.db2.gz TZCZHDBSXYGMFH-OWCLPIDISA-N 2 1 397.520 -1.254 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@H](C)[N@H+]1CCO ZINC000423683301 1074059162 /nfs/dbraw/zinc/05/91/62/1074059162.db2.gz TZCZHDBSXYGMFH-OWCLPIDISA-N 2 1 397.520 -1.254 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@H](C)[N@@H+]1CCO ZINC000423683303 1074059283 /nfs/dbraw/zinc/05/92/83/1074059283.db2.gz TZCZHDBSXYGMFH-XHSDSOJGSA-N 2 1 397.520 -1.254 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@H](C)[N@H+]1CCO ZINC000423683303 1074059276 /nfs/dbraw/zinc/05/92/76/1074059276.db2.gz TZCZHDBSXYGMFH-XHSDSOJGSA-N 2 1 397.520 -1.254 20 0 GAADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685271 1074059389 /nfs/dbraw/zinc/05/93/89/1074059389.db2.gz RUDNWDLEXPEXMI-ABSDTBQOSA-N 2 1 390.484 -1.127 20 0 GAADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000423685272 1074059308 /nfs/dbraw/zinc/05/93/08/1074059308.db2.gz RUDNWDLEXPEXMI-ZWOKBUDYSA-N 2 1 390.484 -1.127 20 0 GAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C[C@H]2[NH3+])cn1 ZINC000424491074 1074065354 /nfs/dbraw/zinc/06/53/54/1074065354.db2.gz BSDQZIXSDYHCJQ-BHYGNILZSA-N 2 1 390.488 -1.146 20 0 GAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C[C@H]2[NH3+])cn1 ZINC000424491075 1074065160 /nfs/dbraw/zinc/06/51/60/1074065160.db2.gz BSDQZIXSDYHCJQ-HYVNUMGLSA-N 2 1 390.488 -1.146 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H](C)[N@@H+]1CCO ZINC000424493100 1074065811 /nfs/dbraw/zinc/06/58/11/1074065811.db2.gz JNNRKNTYTVGKLZ-LQKXBSAESA-N 2 1 378.477 -1.413 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H](C)[N@H+]1CCO ZINC000424493100 1074065807 /nfs/dbraw/zinc/06/58/07/1074065807.db2.gz JNNRKNTYTVGKLZ-LQKXBSAESA-N 2 1 378.477 -1.413 20 0 GAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000424493292 1074065790 /nfs/dbraw/zinc/06/57/90/1074065790.db2.gz KGDNYNAZLHTCIN-HNNXBMFYSA-N 2 1 397.520 -1.131 20 0 GAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000424493293 1074065681 /nfs/dbraw/zinc/06/56/81/1074065681.db2.gz KGDNYNAZLHTCIN-OAHLLOKOSA-N 2 1 397.520 -1.131 20 0 GAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424496681 1074337654 /nfs/dbraw/zinc/33/76/54/1074337654.db2.gz VADRGUIBSJXUKF-CWRNSKLLSA-N 2 1 392.504 -1.023 20 0 GAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424496681 1074337646 /nfs/dbraw/zinc/33/76/46/1074337646.db2.gz VADRGUIBSJXUKF-CWRNSKLLSA-N 2 1 392.504 -1.023 20 0 GAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424496682 1074065750 /nfs/dbraw/zinc/06/57/50/1074065750.db2.gz VADRGUIBSJXUKF-VNQPRFMTSA-N 2 1 392.504 -1.023 20 0 GAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424496682 1074065743 /nfs/dbraw/zinc/06/57/43/1074065743.db2.gz VADRGUIBSJXUKF-VNQPRFMTSA-N 2 1 392.504 -1.023 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000424497013 1074065694 /nfs/dbraw/zinc/06/56/94/1074065694.db2.gz VMYMAFKPAPHAKD-CWRNSKLLSA-N 2 1 392.504 -1.023 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000424497013 1074065691 /nfs/dbraw/zinc/06/56/91/1074065691.db2.gz VMYMAFKPAPHAKD-CWRNSKLLSA-N 2 1 392.504 -1.023 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000424497015 1074065713 /nfs/dbraw/zinc/06/57/13/1074065713.db2.gz VMYMAFKPAPHAKD-VNQPRFMTSA-N 2 1 392.504 -1.023 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000424497015 1074065709 /nfs/dbraw/zinc/06/57/09/1074065709.db2.gz VMYMAFKPAPHAKD-VNQPRFMTSA-N 2 1 392.504 -1.023 20 0 GAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424524719 1074066623 /nfs/dbraw/zinc/06/66/23/1074066623.db2.gz QDCYFAQNJWMGTM-HRCADAONSA-N 2 1 378.477 -1.100 20 0 GAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424524720 1074066576 /nfs/dbraw/zinc/06/65/76/1074066576.db2.gz QDCYFAQNJWMGTM-OWCLPIDISA-N 2 1 378.477 -1.100 20 0 GAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)C[C@H]2[NH3+])cn1 ZINC000424546718 1074066974 /nfs/dbraw/zinc/06/69/74/1074066974.db2.gz NNVYFUBXSFEGDO-LSDHHAIUSA-N 2 1 378.477 -1.412 20 0 GAADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000424550886 1074067402 /nfs/dbraw/zinc/06/74/02/1074067402.db2.gz NXLBTBHPWZKNOS-CWRNSKLLSA-N 2 1 378.477 -1.242 20 0 GAADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000424550887 1074067385 /nfs/dbraw/zinc/06/73/85/1074067385.db2.gz NXLBTBHPWZKNOS-VNQPRFMTSA-N 2 1 378.477 -1.242 20 0 GAADMP COc1nc(N2CCC[NH+](CCO)CC2)nc(N2CCC[N@@H+](CCO)CC2)n1 ZINC000426898252 1074160380 /nfs/dbraw/zinc/16/03/80/1074160380.db2.gz KZQZEDWSKLXPPU-UHFFFAOYSA-N 2 1 395.508 -1.111 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cn1 ZINC000429795681 1074587347 /nfs/dbraw/zinc/58/73/47/1074587347.db2.gz SEDUFDUEZAWJBT-UHFFFAOYSA-N 2 1 379.465 -1.337 20 0 GAADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c(=O)n2C ZINC000430602501 1073557970 /nfs/dbraw/zinc/55/79/70/1073557970.db2.gz LOKLUXXHKJNHDU-CYBMUJFWSA-N 2 1 391.476 -1.389 20 0 GAADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c(=O)n2C ZINC000430602503 1073558156 /nfs/dbraw/zinc/55/81/56/1073558156.db2.gz LOKLUXXHKJNHDU-ZDUSSCGKSA-N 2 1 391.476 -1.389 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430606855 1073557915 /nfs/dbraw/zinc/55/79/15/1073557915.db2.gz WRXVPTYCIQIHFU-HNNXBMFYSA-N 2 1 382.509 -1.994 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000430606856 1073557821 /nfs/dbraw/zinc/55/78/21/1073557821.db2.gz WRXVPTYCIQIHFU-OAHLLOKOSA-N 2 1 382.509 -1.994 20 0 GAADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000430615587 1073561636 /nfs/dbraw/zinc/56/16/36/1073561636.db2.gz CJBUQTLSDXKXRN-AWEZNQCLSA-N 2 1 384.506 -1.158 20 0 GAADMP Cn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000430615588 1073561512 /nfs/dbraw/zinc/56/15/12/1073561512.db2.gz CJBUQTLSDXKXRN-CQSZACIVSA-N 2 1 384.506 -1.158 20 0 GAADMP CN(CCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)S(C)(=O)=O ZINC000430627159 530118297 /nfs/dbraw/zinc/11/82/97/530118297.db2.gz MNSWLEZPAHRWTB-CYBMUJFWSA-N 2 1 377.511 -1.829 20 0 GAADMP CN(CCCNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)S(C)(=O)=O ZINC000430627165 530117868 /nfs/dbraw/zinc/11/78/68/530117868.db2.gz MNSWLEZPAHRWTB-ZDUSSCGKSA-N 2 1 377.511 -1.829 20 0 GAADMP Cn1c2ncn(CC[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)c2c(=O)n(C)c1=O ZINC000430638963 1073565958 /nfs/dbraw/zinc/56/59/58/1073565958.db2.gz GTPWCTDIIIQZCH-GFCCVEGCSA-N 2 1 377.449 -1.779 20 0 GAADMP Cn1c2ncn(CC[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)c2c(=O)n(C)c1=O ZINC000430638967 1073566016 /nfs/dbraw/zinc/56/60/16/1073566016.db2.gz GTPWCTDIIIQZCH-LBPRGKRZSA-N 2 1 377.449 -1.779 20 0 GAADMP C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)CC(=O)N1CC[NH2+]CC1 ZINC000430640055 1073565900 /nfs/dbraw/zinc/56/59/00/1073565900.db2.gz JHHIZKYRJIWZOV-UHFFFAOYSA-N 2 1 375.477 -1.121 20 0 GAADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430653666 1073567733 /nfs/dbraw/zinc/56/77/33/1073567733.db2.gz PINCALKZXVOJAF-HNNXBMFYSA-N 2 1 391.472 -1.046 20 0 GAADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430653667 1073567619 /nfs/dbraw/zinc/56/76/19/1073567619.db2.gz PINCALKZXVOJAF-OAHLLOKOSA-N 2 1 391.472 -1.046 20 0 GAADMP Cn1cnc2c1c(=O)n(CCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c(=O)n2C ZINC000430669627 1073570561 /nfs/dbraw/zinc/57/05/61/1073570561.db2.gz UEXDTURFUVKCGL-UHFFFAOYSA-N 2 1 377.449 -1.813 20 0 GAADMP CN(C[C@H](O)CN1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000435557292 1074084214 /nfs/dbraw/zinc/08/42/14/1074084214.db2.gz IKTNZCLYFILDJW-CVEARBPZSA-N 2 1 385.509 -1.092 20 0 GAADMP CN(C[C@H](O)CN1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000435557296 1074084291 /nfs/dbraw/zinc/08/42/91/1074084291.db2.gz IKTNZCLYFILDJW-HOTGVXAUSA-N 2 1 385.509 -1.092 20 0 GAADMP CN(C[C@@H](O)CN1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000435557299 1074084347 /nfs/dbraw/zinc/08/43/47/1074084347.db2.gz IKTNZCLYFILDJW-HZPDHXFCSA-N 2 1 385.509 -1.092 20 0 GAADMP CN(C[C@@H](O)CN1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000435557301 1074084382 /nfs/dbraw/zinc/08/43/82/1074084382.db2.gz IKTNZCLYFILDJW-JKSUJKDBSA-N 2 1 385.509 -1.092 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000436046028 1074089005 /nfs/dbraw/zinc/08/90/05/1074089005.db2.gz BUPIAQYTXGHZAW-INIZCTEOSA-N 2 1 396.536 -1.462 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000436046028 1074088999 /nfs/dbraw/zinc/08/89/99/1074088999.db2.gz BUPIAQYTXGHZAW-INIZCTEOSA-N 2 1 396.536 -1.462 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000436046037 1074088947 /nfs/dbraw/zinc/08/89/47/1074088947.db2.gz BUPIAQYTXGHZAW-MRXNPFEDSA-N 2 1 396.536 -1.462 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000436046037 1074088937 /nfs/dbraw/zinc/08/89/37/1074088937.db2.gz BUPIAQYTXGHZAW-MRXNPFEDSA-N 2 1 396.536 -1.462 20 0 GAADMP CN(CCCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC000436053663 1074089155 /nfs/dbraw/zinc/08/91/55/1074089155.db2.gz FRSNHQZXPQXEQZ-AWEZNQCLSA-N 2 1 391.538 -1.296 20 0 GAADMP CN(CCCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC000436053663 1074089149 /nfs/dbraw/zinc/08/91/49/1074089149.db2.gz FRSNHQZXPQXEQZ-AWEZNQCLSA-N 2 1 391.538 -1.296 20 0 GAADMP CN(CCCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC000436053664 1074089024 /nfs/dbraw/zinc/08/90/24/1074089024.db2.gz FRSNHQZXPQXEQZ-CQSZACIVSA-N 2 1 391.538 -1.296 20 0 GAADMP CN(CCCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC000436053664 1074089021 /nfs/dbraw/zinc/08/90/21/1074089021.db2.gz FRSNHQZXPQXEQZ-CQSZACIVSA-N 2 1 391.538 -1.296 20 0 GAADMP Cn1c2ncn(CC[N@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])c2c(=O)n(C)c1=O ZINC000436054186 1074089076 /nfs/dbraw/zinc/08/90/76/1074089076.db2.gz HFBSRUBDQKKCMP-CYBMUJFWSA-N 2 1 391.476 -1.247 20 0 GAADMP Cn1c2ncn(CC[N@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])c2c(=O)n(C)c1=O ZINC000436054191 1074089129 /nfs/dbraw/zinc/08/91/29/1074089129.db2.gz HFBSRUBDQKKCMP-ZDUSSCGKSA-N 2 1 391.476 -1.247 20 0 GAADMP O=C(COCC(=O)NCC[N@H+]1CCCOCC1)NCC[NH+]1CCCOCC1 ZINC000438696231 1074120626 /nfs/dbraw/zinc/12/06/26/1074120626.db2.gz USKWUJUXVPFMFY-UHFFFAOYSA-N 2 1 386.493 -1.320 20 0 GAADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000439227210 1074127489 /nfs/dbraw/zinc/12/74/89/1074127489.db2.gz YCNZKVKEZRUULC-KBPBESRZSA-N 2 1 391.538 -1.346 20 0 GAADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000439227211 1074127589 /nfs/dbraw/zinc/12/75/89/1074127589.db2.gz YCNZKVKEZRUULC-KGLIPLIRSA-N 2 1 391.538 -1.346 20 0 GAADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000439227212 1074128229 /nfs/dbraw/zinc/12/82/29/1074128229.db2.gz YCNZKVKEZRUULC-UONOGXRCSA-N 2 1 391.538 -1.346 20 0 GAADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000439227213 1074128163 /nfs/dbraw/zinc/12/81/63/1074128163.db2.gz YCNZKVKEZRUULC-ZIAGYGMSSA-N 2 1 391.538 -1.346 20 0 GAADMP COc1nc(NCC[NH+]2CCCOCC2)nc(NCC[N@H+]2CCCOCC2)n1 ZINC000445668427 1074245220 /nfs/dbraw/zinc/24/52/20/1074245220.db2.gz YVLMHCYXIIBZMU-UHFFFAOYSA-N 2 1 395.508 -1.008 20 0 GAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000446804742 1074249901 /nfs/dbraw/zinc/24/99/01/1074249901.db2.gz WFXZFVQBVPEWPI-HNNXBMFYSA-N 2 1 378.477 -0.436 20 0 GAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000446804743 1074249967 /nfs/dbraw/zinc/24/99/67/1074249967.db2.gz WFXZFVQBVPEWPI-OAHLLOKOSA-N 2 1 378.477 -0.436 20 0 GAADMP C[C@@](O)(CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465962932 1074796749 /nfs/dbraw/zinc/79/67/49/1074796749.db2.gz YXKWQOXOOVLSMV-CRAIPNDOSA-N 2 1 385.509 -1.044 20 0 GAADMP C[C@@](O)(CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465962932 1074796743 /nfs/dbraw/zinc/79/67/43/1074796743.db2.gz YXKWQOXOOVLSMV-CRAIPNDOSA-N 2 1 385.509 -1.044 20 0 GAADMP C[C@@](O)(CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465962933 1074796634 /nfs/dbraw/zinc/79/66/34/1074796634.db2.gz YXKWQOXOOVLSMV-MAUKXSAKSA-N 2 1 385.509 -1.044 20 0 GAADMP C[C@@](O)(CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465962933 1074796629 /nfs/dbraw/zinc/79/66/29/1074796629.db2.gz YXKWQOXOOVLSMV-MAUKXSAKSA-N 2 1 385.509 -1.044 20 0 GAADMP C[C@](O)(CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465962934 1074796825 /nfs/dbraw/zinc/79/68/25/1074796825.db2.gz YXKWQOXOOVLSMV-QAPCUYQASA-N 2 1 385.509 -1.044 20 0 GAADMP C[C@](O)(CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465962934 1074796819 /nfs/dbraw/zinc/79/68/19/1074796819.db2.gz YXKWQOXOOVLSMV-QAPCUYQASA-N 2 1 385.509 -1.044 20 0 GAADMP C[C@](O)(CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465962935 1074796794 /nfs/dbraw/zinc/79/67/94/1074796794.db2.gz YXKWQOXOOVLSMV-YJBOKZPZSA-N 2 1 385.509 -1.044 20 0 GAADMP C[C@](O)(CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000465962935 1074796789 /nfs/dbraw/zinc/79/67/89/1074796789.db2.gz YXKWQOXOOVLSMV-YJBOKZPZSA-N 2 1 385.509 -1.044 20 0 GAADMP C[NH+](C)CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000467647372 1074785912 /nfs/dbraw/zinc/78/59/12/1074785912.db2.gz UJFQFKJCUPKOOJ-CABCVRRESA-N 2 1 388.534 -1.026 20 0 GAADMP C[NH+](C)CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000467647373 1074785899 /nfs/dbraw/zinc/78/58/99/1074785899.db2.gz UJFQFKJCUPKOOJ-GJZGRUSLSA-N 2 1 388.534 -1.026 20 0 GAADMP C[NH+](C)CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000467647374 1074785847 /nfs/dbraw/zinc/78/58/47/1074785847.db2.gz UJFQFKJCUPKOOJ-HUUCEWRRSA-N 2 1 388.534 -1.026 20 0 GAADMP C[NH+](C)CCN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000467647375 1074785872 /nfs/dbraw/zinc/78/58/72/1074785872.db2.gz UJFQFKJCUPKOOJ-LSDHHAIUSA-N 2 1 388.534 -1.026 20 0 GAADMP CNc1nc(N2CCC[NH+](CCO)CC2)nc(N2CCC[N@@H+](CCO)CC2)n1 ZINC000467769405 1075676663 /nfs/dbraw/zinc/67/66/63/1075676663.db2.gz NXBQSBDDTONKTN-UHFFFAOYSA-N 2 1 394.524 -1.656 20 0 GAADMP COCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000477655223 1074361135 /nfs/dbraw/zinc/36/11/35/1074361135.db2.gz WRVJVFDJEMGSNJ-UHFFFAOYSA-N 2 1 397.520 -1.164 20 0 GAADMP C[C@@H]1C[NH+](CC(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](C)[C@H](CO)C3)CC2)C[C@H]1CO ZINC000484725789 1074448463 /nfs/dbraw/zinc/44/84/63/1074448463.db2.gz HFPISGNYVQSAFU-BDXSIMOUSA-N 2 1 396.532 -1.222 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)cn1 ZINC000484965131 1074449838 /nfs/dbraw/zinc/44/98/38/1074449838.db2.gz AAGZZODWMSJZNY-UHFFFAOYSA-N 2 1 391.476 -1.123 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)cn1 ZINC000484965131 1074449834 /nfs/dbraw/zinc/44/98/34/1074449834.db2.gz AAGZZODWMSJZNY-UHFFFAOYSA-N 2 1 391.476 -1.123 20 0 GAADMP NS(=O)(=O)C[C@@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000489661702 530136429 /nfs/dbraw/zinc/13/64/29/530136429.db2.gz YSDMFIXIOJTQSD-KBPBESRZSA-N 2 1 398.551 -1.491 20 0 GAADMP NS(=O)(=O)C[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000489661703 530136348 /nfs/dbraw/zinc/13/63/48/530136348.db2.gz YSDMFIXIOJTQSD-OKILXGFUSA-N 2 1 398.551 -1.491 20 0 GAADMP NS(=O)(=O)C[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000489661703 530136344 /nfs/dbraw/zinc/13/63/44/530136344.db2.gz YSDMFIXIOJTQSD-OKILXGFUSA-N 2 1 398.551 -1.491 20 0 GAADMP NS(=O)(=O)C[C@H]1CCC[N@H+]1CCOCC[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000489661703 530136339 /nfs/dbraw/zinc/13/63/39/530136339.db2.gz YSDMFIXIOJTQSD-OKILXGFUSA-N 2 1 398.551 -1.491 20 0 GAADMP NS(=O)(=O)C[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000489661704 530136472 /nfs/dbraw/zinc/13/64/72/530136472.db2.gz YSDMFIXIOJTQSD-ZIAGYGMSSA-N 2 1 398.551 -1.491 20 0 GAADMP CN(CCCNC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC000492662102 530137428 /nfs/dbraw/zinc/13/74/28/530137428.db2.gz UWAVZOKZIUGIGQ-UHFFFAOYSA-N 2 1 377.555 -1.047 20 0 GAADMP CN(CCCNC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1)S(C)(=O)=O ZINC000492662102 530137423 /nfs/dbraw/zinc/13/74/23/530137423.db2.gz UWAVZOKZIUGIGQ-UHFFFAOYSA-N 2 1 377.555 -1.047 20 0 GAADMP O=C1NC(=O)N2CC[NH+](CCCCC[N@@H+]3CCN4C(=O)NC(=O)[C@H]4C3)C[C@H]12 ZINC000492947890 1074894600 /nfs/dbraw/zinc/89/46/00/1074894600.db2.gz BOMBWWVUAZUMSR-CHWSQXEVSA-N 2 1 378.433 -1.371 20 0 GAADMP O=C1NC(=O)N2CC[NH+](CCCCC[N@H+]3CCN4C(=O)NC(=O)[C@H]4C3)C[C@H]12 ZINC000492947890 1074894594 /nfs/dbraw/zinc/89/45/94/1074894594.db2.gz BOMBWWVUAZUMSR-CHWSQXEVSA-N 2 1 378.433 -1.371 20 0 GAADMP O=C1NC(=O)N2CC[NH+](CCCCC[N@@H+]3CCN4C(=O)NC(=O)[C@@H]4C3)C[C@@H]12 ZINC000492947891 1074894708 /nfs/dbraw/zinc/89/47/08/1074894708.db2.gz BOMBWWVUAZUMSR-STQMWFEESA-N 2 1 378.433 -1.371 20 0 GAADMP O=C1NC(=O)N2CC[NH+](CCCCC[N@H+]3CCN4C(=O)NC(=O)[C@@H]4C3)C[C@@H]12 ZINC000492947891 1074894703 /nfs/dbraw/zinc/89/47/03/1074894703.db2.gz BOMBWWVUAZUMSR-STQMWFEESA-N 2 1 378.433 -1.371 20 0 GAADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000509717857 1074586914 /nfs/dbraw/zinc/58/69/14/1074586914.db2.gz WJMVJFTXGKQUSM-INIZCTEOSA-N 2 1 397.520 -1.164 20 0 GAADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000509717857 1074586908 /nfs/dbraw/zinc/58/69/08/1074586908.db2.gz WJMVJFTXGKQUSM-INIZCTEOSA-N 2 1 397.520 -1.164 20 0 GAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000509717857 1074586898 /nfs/dbraw/zinc/58/68/98/1074586898.db2.gz WJMVJFTXGKQUSM-INIZCTEOSA-N 2 1 397.520 -1.164 20 0 GAADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000509717864 1074587150 /nfs/dbraw/zinc/58/71/50/1074587150.db2.gz WJMVJFTXGKQUSM-MRXNPFEDSA-N 2 1 397.520 -1.164 20 0 GAADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000509717864 1074587144 /nfs/dbraw/zinc/58/71/44/1074587144.db2.gz WJMVJFTXGKQUSM-MRXNPFEDSA-N 2 1 397.520 -1.164 20 0 GAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000509717864 1074587138 /nfs/dbraw/zinc/58/71/38/1074587138.db2.gz WJMVJFTXGKQUSM-MRXNPFEDSA-N 2 1 397.520 -1.164 20 0 GAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000509718214 1074587548 /nfs/dbraw/zinc/58/75/48/1074587548.db2.gz XRRIKTHXENXVFL-UHFFFAOYSA-N 2 1 397.520 -1.163 20 0 GAADMP C[NH+]1CCCN(CC(=O)N2CCN(C(=O)CN3CCC[N@H+](C)CC3)CC2)CC1 ZINC000514317490 1074073147 /nfs/dbraw/zinc/07/31/47/1074073147.db2.gz ZGFDBGOXVHQOLY-UHFFFAOYSA-N 2 1 394.564 -1.068 20 0 GAADMP O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000514666913 1074076977 /nfs/dbraw/zinc/07/69/77/1074076977.db2.gz BIJXATHMKNNFKL-CVEARBPZSA-N 2 1 377.489 -1.037 20 0 GAADMP O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000514666919 1074076902 /nfs/dbraw/zinc/07/69/02/1074076902.db2.gz BIJXATHMKNNFKL-HOTGVXAUSA-N 2 1 377.489 -1.037 20 0 GAADMP O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000514666920 1074077586 /nfs/dbraw/zinc/07/75/86/1074077586.db2.gz BIJXATHMKNNFKL-HZPDHXFCSA-N 2 1 377.489 -1.037 20 0 GAADMP O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000514666921 1074077459 /nfs/dbraw/zinc/07/74/59/1074077459.db2.gz BIJXATHMKNNFKL-JKSUJKDBSA-N 2 1 377.489 -1.037 20 0 GAADMP COC[C@@]1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000514925134 530116615 /nfs/dbraw/zinc/11/66/15/530116615.db2.gz KLWTYGBDDLGBSE-HNNXBMFYSA-N 2 1 375.495 -1.616 20 0 GAADMP COC[C@]1(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000514925135 530116562 /nfs/dbraw/zinc/11/65/62/530116562.db2.gz KLWTYGBDDLGBSE-OAHLLOKOSA-N 2 1 375.495 -1.616 20 0 GAADMP CC[NH+]1CCC(NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000515621188 1074091041 /nfs/dbraw/zinc/09/10/41/1074091041.db2.gz FNWRRNHORDPPTK-UHFFFAOYSA-N 2 1 387.506 -1.967 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000515673407 1074091649 /nfs/dbraw/zinc/09/16/49/1074091649.db2.gz YGFSIWGSDKDJOR-ILXRZTDVSA-N 2 1 380.493 -1.118 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000515673408 1074091722 /nfs/dbraw/zinc/09/17/22/1074091722.db2.gz YGFSIWGSDKDJOR-KFWWJZLASA-N 2 1 380.493 -1.118 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000515673409 1074091491 /nfs/dbraw/zinc/09/14/91/1074091491.db2.gz YGFSIWGSDKDJOR-KKUMJFAQSA-N 2 1 380.493 -1.118 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000515673410 1074091501 /nfs/dbraw/zinc/09/15/01/1074091501.db2.gz YGFSIWGSDKDJOR-ZNMIVQPWSA-N 2 1 380.493 -1.118 20 0 GAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000515686280 1074091592 /nfs/dbraw/zinc/09/15/92/1074091592.db2.gz PLFBKYUPWQYIHD-INIZCTEOSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000515686280 1074091584 /nfs/dbraw/zinc/09/15/84/1074091584.db2.gz PLFBKYUPWQYIHD-INIZCTEOSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000515686281 1074091475 /nfs/dbraw/zinc/09/14/75/1074091475.db2.gz PLFBKYUPWQYIHD-MRXNPFEDSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000515686281 1074091468 /nfs/dbraw/zinc/09/14/68/1074091468.db2.gz PLFBKYUPWQYIHD-MRXNPFEDSA-N 2 1 397.520 -1.118 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000516562175 1074099551 /nfs/dbraw/zinc/09/95/51/1074099551.db2.gz CYBKKOYLCIDSEQ-ARFHVFGLSA-N 2 1 377.489 -1.181 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000516562176 1074099371 /nfs/dbraw/zinc/09/93/71/1074099371.db2.gz CYBKKOYLCIDSEQ-BZUAXINKSA-N 2 1 377.489 -1.181 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000516562177 1074099619 /nfs/dbraw/zinc/09/96/19/1074099619.db2.gz CYBKKOYLCIDSEQ-HRCADAONSA-N 2 1 377.489 -1.181 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000516562178 1074099463 /nfs/dbraw/zinc/09/94/63/1074099463.db2.gz CYBKKOYLCIDSEQ-OWCLPIDISA-N 2 1 377.489 -1.181 20 0 GAADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000516792819 1074105700 /nfs/dbraw/zinc/10/57/00/1074105700.db2.gz KKENWXDNMDWCDE-INIZCTEOSA-N 2 1 397.520 -1.116 20 0 GAADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000516792819 1074105695 /nfs/dbraw/zinc/10/56/95/1074105695.db2.gz KKENWXDNMDWCDE-INIZCTEOSA-N 2 1 397.520 -1.116 20 0 GAADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000516792821 1074105731 /nfs/dbraw/zinc/10/57/31/1074105731.db2.gz KKENWXDNMDWCDE-MRXNPFEDSA-N 2 1 397.520 -1.116 20 0 GAADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000516792821 1074105728 /nfs/dbraw/zinc/10/57/28/1074105728.db2.gz KKENWXDNMDWCDE-MRXNPFEDSA-N 2 1 397.520 -1.116 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000518418573 1074125865 /nfs/dbraw/zinc/12/58/65/1074125865.db2.gz ZPPASPXTOBDJCH-MSOLQXFVSA-N 2 1 394.564 -1.023 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000518418573 1074125862 /nfs/dbraw/zinc/12/58/62/1074125862.db2.gz ZPPASPXTOBDJCH-MSOLQXFVSA-N 2 1 394.564 -1.023 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000518418573 1074125859 /nfs/dbraw/zinc/12/58/59/1074125859.db2.gz ZPPASPXTOBDJCH-MSOLQXFVSA-N 2 1 394.564 -1.023 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000518418574 1074125791 /nfs/dbraw/zinc/12/57/91/1074125791.db2.gz ZPPASPXTOBDJCH-QZTJIDSGSA-N 2 1 394.564 -1.023 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000518418574 1074125785 /nfs/dbraw/zinc/12/57/85/1074125785.db2.gz ZPPASPXTOBDJCH-QZTJIDSGSA-N 2 1 394.564 -1.023 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000518418574 1074125781 /nfs/dbraw/zinc/12/57/81/1074125781.db2.gz ZPPASPXTOBDJCH-QZTJIDSGSA-N 2 1 394.564 -1.023 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000518418575 1074125825 /nfs/dbraw/zinc/12/58/25/1074125825.db2.gz ZPPASPXTOBDJCH-ROUUACIJSA-N 2 1 394.564 -1.023 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000518418575 1074125822 /nfs/dbraw/zinc/12/58/22/1074125822.db2.gz ZPPASPXTOBDJCH-ROUUACIJSA-N 2 1 394.564 -1.023 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000518418575 1074125817 /nfs/dbraw/zinc/12/58/17/1074125817.db2.gz ZPPASPXTOBDJCH-ROUUACIJSA-N 2 1 394.564 -1.023 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000518418576 1074125899 /nfs/dbraw/zinc/12/58/99/1074125899.db2.gz ZPPASPXTOBDJCH-ZWKOTPCHSA-N 2 1 394.564 -1.023 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000518418576 1074125896 /nfs/dbraw/zinc/12/58/96/1074125896.db2.gz ZPPASPXTOBDJCH-ZWKOTPCHSA-N 2 1 394.564 -1.023 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000518418576 1074125893 /nfs/dbraw/zinc/12/58/93/1074125893.db2.gz ZPPASPXTOBDJCH-ZWKOTPCHSA-N 2 1 394.564 -1.023 20 0 GAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000519365294 1074145787 /nfs/dbraw/zinc/14/57/87/1074145787.db2.gz VTIHHMQSJFXZFD-CVEARBPZSA-N 2 1 395.504 -1.377 20 0 GAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000519365295 1074145729 /nfs/dbraw/zinc/14/57/29/1074145729.db2.gz VTIHHMQSJFXZFD-HOTGVXAUSA-N 2 1 395.504 -1.377 20 0 GAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000519365296 1074145815 /nfs/dbraw/zinc/14/58/15/1074145815.db2.gz VTIHHMQSJFXZFD-HZPDHXFCSA-N 2 1 395.504 -1.377 20 0 GAADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000519365297 1074145844 /nfs/dbraw/zinc/14/58/44/1074145844.db2.gz VTIHHMQSJFXZFD-JKSUJKDBSA-N 2 1 395.504 -1.377 20 0 GAADMP O=C(N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000519534400 1074150397 /nfs/dbraw/zinc/15/03/97/1074150397.db2.gz ABAVFDYVQYAWPQ-UHFFFAOYSA-N 2 1 382.490 -1.592 20 0 GAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000519633931 1074165549 /nfs/dbraw/zinc/16/55/49/1074165549.db2.gz AAIRZNBDVSWPNC-INIZCTEOSA-N 2 1 394.520 -1.837 20 0 GAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000519633948 1074165846 /nfs/dbraw/zinc/16/58/46/1074165846.db2.gz AAIRZNBDVSWPNC-MRXNPFEDSA-N 2 1 394.520 -1.837 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000519697750 1074166062 /nfs/dbraw/zinc/16/60/62/1074166062.db2.gz ARDUDTPNMKGMIS-CAOSSQGBSA-N 2 1 377.489 -1.053 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000519697754 1074166087 /nfs/dbraw/zinc/16/60/87/1074166087.db2.gz ARDUDTPNMKGMIS-XUWVNRHRSA-N 2 1 377.489 -1.053 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000519697756 1074166196 /nfs/dbraw/zinc/16/61/96/1074166196.db2.gz ARDUDTPNMKGMIS-YHUYYLMFSA-N 2 1 377.489 -1.053 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000519697759 1074166028 /nfs/dbraw/zinc/16/60/28/1074166028.db2.gz ARDUDTPNMKGMIS-ZJIFWQFVSA-N 2 1 377.489 -1.053 20 0 GAADMP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000519819842 1074167791 /nfs/dbraw/zinc/16/77/91/1074167791.db2.gz DQULVUSALZDBAF-GFCCVEGCSA-N 2 1 383.478 -1.911 20 0 GAADMP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000519819871 1074167712 /nfs/dbraw/zinc/16/77/12/1074167712.db2.gz DQULVUSALZDBAF-LBPRGKRZSA-N 2 1 383.478 -1.911 20 0 GAADMP COCC[NH2+]C1CCN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000521057659 1073568901 /nfs/dbraw/zinc/56/89/01/1073568901.db2.gz WBPJXEWGSGGWBG-UHFFFAOYSA-N 2 1 397.520 -1.164 20 0 GAADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000521220131 1074201259 /nfs/dbraw/zinc/20/12/59/1074201259.db2.gz DROICYJVBPLWKZ-UHFFFAOYSA-N 2 1 385.509 -1.308 20 0 GAADMP CN(CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000527117495 1074257473 /nfs/dbraw/zinc/25/74/73/1074257473.db2.gz AOBAHYOYIMNLMY-DLBZAZTESA-N 2 1 378.521 -1.659 20 0 GAADMP CN(CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000527117495 1074257465 /nfs/dbraw/zinc/25/74/65/1074257465.db2.gz AOBAHYOYIMNLMY-DLBZAZTESA-N 2 1 378.521 -1.659 20 0 GAADMP CN(CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000527117495 1074257458 /nfs/dbraw/zinc/25/74/58/1074257458.db2.gz AOBAHYOYIMNLMY-DLBZAZTESA-N 2 1 378.521 -1.659 20 0 GAADMP CN(CCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000527117496 1074257637 /nfs/dbraw/zinc/25/76/37/1074257637.db2.gz AOBAHYOYIMNLMY-IAGOWNOFSA-N 2 1 378.521 -1.659 20 0 GAADMP CN(CCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000527117496 1074257635 /nfs/dbraw/zinc/25/76/35/1074257635.db2.gz AOBAHYOYIMNLMY-IAGOWNOFSA-N 2 1 378.521 -1.659 20 0 GAADMP CN(CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000527117496 1074257627 /nfs/dbraw/zinc/25/76/27/1074257627.db2.gz AOBAHYOYIMNLMY-IAGOWNOFSA-N 2 1 378.521 -1.659 20 0 GAADMP CN(CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000527117497 1074257559 /nfs/dbraw/zinc/25/75/59/1074257559.db2.gz AOBAHYOYIMNLMY-IRXDYDNUSA-N 2 1 378.521 -1.659 20 0 GAADMP CN(CCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000527117497 1074257553 /nfs/dbraw/zinc/25/75/53/1074257553.db2.gz AOBAHYOYIMNLMY-IRXDYDNUSA-N 2 1 378.521 -1.659 20 0 GAADMP CN(CCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000527117497 1074257552 /nfs/dbraw/zinc/25/75/52/1074257552.db2.gz AOBAHYOYIMNLMY-IRXDYDNUSA-N 2 1 378.521 -1.659 20 0 GAADMP CN(CCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000527117498 1074257513 /nfs/dbraw/zinc/25/75/13/1074257513.db2.gz AOBAHYOYIMNLMY-SJORKVTESA-N 2 1 378.521 -1.659 20 0 GAADMP CN(CCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000527117498 1074257508 /nfs/dbraw/zinc/25/75/08/1074257508.db2.gz AOBAHYOYIMNLMY-SJORKVTESA-N 2 1 378.521 -1.659 20 0 GAADMP CN(CCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000527117498 1074257498 /nfs/dbraw/zinc/25/74/98/1074257498.db2.gz AOBAHYOYIMNLMY-SJORKVTESA-N 2 1 378.521 -1.659 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000529293173 1074264373 /nfs/dbraw/zinc/26/43/73/1074264373.db2.gz PEOYSRDYOCJDCN-UHFFFAOYSA-N 2 1 395.508 -1.497 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2ccnc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC000530350164 1074269591 /nfs/dbraw/zinc/26/95/91/1074269591.db2.gz BDQQCRQEDUATSD-MOPGFXCFSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2ccnc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)C1 ZINC000530350164 1074269587 /nfs/dbraw/zinc/26/95/87/1074269587.db2.gz BDQQCRQEDUATSD-MOPGFXCFSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)ccn2)C1 ZINC000530350164 1074269582 /nfs/dbraw/zinc/26/95/82/1074269582.db2.gz BDQQCRQEDUATSD-MOPGFXCFSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2ccnc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC000530350165 1074269661 /nfs/dbraw/zinc/26/96/61/1074269661.db2.gz BDQQCRQEDUATSD-OALUTQOASA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2ccnc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)C1 ZINC000530350165 1074269656 /nfs/dbraw/zinc/26/96/56/1074269656.db2.gz BDQQCRQEDUATSD-OALUTQOASA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)ccn2)C1 ZINC000530350165 1074269649 /nfs/dbraw/zinc/26/96/49/1074269649.db2.gz BDQQCRQEDUATSD-OALUTQOASA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2ccnc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC000530350166 1074269735 /nfs/dbraw/zinc/26/97/35/1074269735.db2.gz BDQQCRQEDUATSD-RBUKOAKNSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2ccnc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)C1 ZINC000530350166 1074269730 /nfs/dbraw/zinc/26/97/30/1074269730.db2.gz BDQQCRQEDUATSD-RBUKOAKNSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)ccn2)C1 ZINC000530350166 1074269727 /nfs/dbraw/zinc/26/97/27/1074269727.db2.gz BDQQCRQEDUATSD-RBUKOAKNSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2ccnc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC000530350167 1074269764 /nfs/dbraw/zinc/26/97/64/1074269764.db2.gz BDQQCRQEDUATSD-RTBURBONSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2ccnc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)C1 ZINC000530350167 1074269758 /nfs/dbraw/zinc/26/97/58/1074269758.db2.gz BDQQCRQEDUATSD-RTBURBONSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)ccn2)C1 ZINC000530350167 1074269752 /nfs/dbraw/zinc/26/97/52/1074269752.db2.gz BDQQCRQEDUATSD-RTBURBONSA-N 2 1 391.472 -1.326 20 0 GAADMP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000532020008 1074276281 /nfs/dbraw/zinc/27/62/81/1074276281.db2.gz KNFJWPGHPSDIPP-AWEZNQCLSA-N 2 1 393.492 -1.043 20 0 GAADMP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1 ZINC000532020011 1074276750 /nfs/dbraw/zinc/27/67/50/1074276750.db2.gz KNFJWPGHPSDIPP-CQSZACIVSA-N 2 1 393.492 -1.043 20 0 GAADMP CNC(=O)CC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCC(=O)NC)CC1 ZINC000533277235 1074295745 /nfs/dbraw/zinc/29/57/45/1074295745.db2.gz RBBIPWGWFCTASD-UHFFFAOYSA-N 2 1 398.508 -2.207 20 0 GAADMP C[C@@H]1C[NH+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[N@H+](C)C[C@H]2C)CC1 ZINC000533440851 1074297431 /nfs/dbraw/zinc/29/74/31/1074297431.db2.gz KTWASIUHCLKYII-QZTJIDSGSA-N 2 1 394.564 -1.071 20 0 GAADMP C[C@H]1C[NH+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000533440852 1074297633 /nfs/dbraw/zinc/29/76/33/1074297633.db2.gz KTWASIUHCLKYII-ROUUACIJSA-N 2 1 394.564 -1.071 20 0 GAADMP CN(CCN(C)C(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000535718390 1073580565 /nfs/dbraw/zinc/58/05/65/1073580565.db2.gz BLGDXZLTHRXAGA-HDICACEKSA-N 2 1 392.548 -1.317 20 0 GAADMP CN(CCN(C)C(=O)[C@@H]1C[NH+]2CCN1CCC2)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535718390 1073580554 /nfs/dbraw/zinc/58/05/54/1073580554.db2.gz BLGDXZLTHRXAGA-HDICACEKSA-N 2 1 392.548 -1.317 20 0 GAADMP CN(CCN(C)C(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000535718390 1073580543 /nfs/dbraw/zinc/58/05/43/1073580543.db2.gz BLGDXZLTHRXAGA-HDICACEKSA-N 2 1 392.548 -1.317 20 0 GAADMP CN(CCN(C)C(=O)[C@H]1C[N@H+]2CCN1CCC2)C(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000535718413 1073580380 /nfs/dbraw/zinc/58/03/80/1073580380.db2.gz BLGDXZLTHRXAGA-QZTJIDSGSA-N 2 1 392.548 -1.317 20 0 GAADMP CN(CCN(C)C(=O)[C@@H]1C[N@H+]2CCN1CCC2)C(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535718415 1073580347 /nfs/dbraw/zinc/58/03/47/1073580347.db2.gz BLGDXZLTHRXAGA-ROUUACIJSA-N 2 1 392.548 -1.317 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cccc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)n2)C1 ZINC000545157094 1075678768 /nfs/dbraw/zinc/67/87/68/1075678768.db2.gz ZBXUUXCVEFYZGH-KDURUIRLSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cccc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)n2)C1 ZINC000545157094 1075678765 /nfs/dbraw/zinc/67/87/65/1075678765.db2.gz ZBXUUXCVEFYZGH-KDURUIRLSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cccc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)n2)C1 ZINC000545157094 1075678761 /nfs/dbraw/zinc/67/87/61/1075678761.db2.gz ZBXUUXCVEFYZGH-KDURUIRLSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cccc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)n2)C1 ZINC000545157095 1075678670 /nfs/dbraw/zinc/67/86/70/1075678670.db2.gz ZBXUUXCVEFYZGH-OALUTQOASA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cccc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)n2)C1 ZINC000545157096 1075678737 /nfs/dbraw/zinc/67/87/37/1075678737.db2.gz ZBXUUXCVEFYZGH-RTBURBONSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cncc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2)C1 ZINC000545862988 1075683411 /nfs/dbraw/zinc/68/34/11/1075683411.db2.gz KNBYSNFZJZZFDV-KDURUIRLSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cncc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)C1 ZINC000545862988 1075683407 /nfs/dbraw/zinc/68/34/07/1075683407.db2.gz KNBYSNFZJZZFDV-KDURUIRLSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cncc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)C1 ZINC000545862988 1075683404 /nfs/dbraw/zinc/68/34/04/1075683404.db2.gz KNBYSNFZJZZFDV-KDURUIRLSA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cncc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)c2)C1 ZINC000545862989 1075683385 /nfs/dbraw/zinc/68/33/85/1075683385.db2.gz KNBYSNFZJZZFDV-OALUTQOASA-N 2 1 391.472 -1.326 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cncc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)c2)C1 ZINC000545862990 1075683748 /nfs/dbraw/zinc/68/37/48/1075683748.db2.gz KNBYSNFZJZZFDV-RTBURBONSA-N 2 1 391.472 -1.326 20 0 GAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000550270025 1074157052 /nfs/dbraw/zinc/15/70/52/1074157052.db2.gz HWADPWVVMYJZER-UHFFFAOYSA-N 2 1 397.520 -1.163 20 0 GAADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000551053088 1074346248 /nfs/dbraw/zinc/34/62/48/1074346248.db2.gz DVNDIHPNYPITDJ-UHFFFAOYSA-N 2 1 397.520 -1.164 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1 ZINC000551187130 1074348858 /nfs/dbraw/zinc/34/88/58/1074348858.db2.gz AVZNUDXMSNCCPG-HNNXBMFYSA-N 2 1 383.493 -1.460 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000551187130 1074348850 /nfs/dbraw/zinc/34/88/50/1074348850.db2.gz AVZNUDXMSNCCPG-HNNXBMFYSA-N 2 1 383.493 -1.460 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)CC1 ZINC000551187131 1074349057 /nfs/dbraw/zinc/34/90/57/1074349057.db2.gz AVZNUDXMSNCCPG-OAHLLOKOSA-N 2 1 383.493 -1.460 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000551187131 1074349052 /nfs/dbraw/zinc/34/90/52/1074349052.db2.gz AVZNUDXMSNCCPG-OAHLLOKOSA-N 2 1 383.493 -1.460 20 0 GAADMP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552548499 1074371965 /nfs/dbraw/zinc/37/19/65/1074371965.db2.gz BLGCTGLSIPDIBP-HNNXBMFYSA-N 2 1 397.520 -1.083 20 0 GAADMP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552548503 1074372118 /nfs/dbraw/zinc/37/21/18/1074372118.db2.gz BLGCTGLSIPDIBP-OAHLLOKOSA-N 2 1 397.520 -1.083 20 0 GAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000552556961 1074371925 /nfs/dbraw/zinc/37/19/25/1074371925.db2.gz NCOGYIBWDJKYIR-AWEZNQCLSA-N 2 1 385.534 -1.145 20 0 GAADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000552556961 1074371916 /nfs/dbraw/zinc/37/19/16/1074371916.db2.gz NCOGYIBWDJKYIR-AWEZNQCLSA-N 2 1 385.534 -1.145 20 0 GAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000552556962 1074372523 /nfs/dbraw/zinc/37/25/23/1074372523.db2.gz NCOGYIBWDJKYIR-CQSZACIVSA-N 2 1 385.534 -1.145 20 0 GAADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCC[NH+]2CCSCC2)C1 ZINC000552556962 1074372519 /nfs/dbraw/zinc/37/25/19/1074372519.db2.gz NCOGYIBWDJKYIR-CQSZACIVSA-N 2 1 385.534 -1.145 20 0 GAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552558910 1074371439 /nfs/dbraw/zinc/37/14/39/1074371439.db2.gz KQBNGBHCHPXDCO-HNNXBMFYSA-N 2 1 397.520 -1.395 20 0 GAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552558910 1074371427 /nfs/dbraw/zinc/37/14/27/1074371427.db2.gz KQBNGBHCHPXDCO-HNNXBMFYSA-N 2 1 397.520 -1.395 20 0 GAADMP CC(C)(O)CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000552558910 1074371422 /nfs/dbraw/zinc/37/14/22/1074371422.db2.gz KQBNGBHCHPXDCO-HNNXBMFYSA-N 2 1 397.520 -1.395 20 0 GAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552558912 1074371354 /nfs/dbraw/zinc/37/13/54/1074371354.db2.gz KQBNGBHCHPXDCO-OAHLLOKOSA-N 2 1 397.520 -1.395 20 0 GAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552558912 1074371339 /nfs/dbraw/zinc/37/13/39/1074371339.db2.gz KQBNGBHCHPXDCO-OAHLLOKOSA-N 2 1 397.520 -1.395 20 0 GAADMP CC(C)(O)CN1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000552558912 1074371334 /nfs/dbraw/zinc/37/13/34/1074371334.db2.gz KQBNGBHCHPXDCO-OAHLLOKOSA-N 2 1 397.520 -1.395 20 0 GAADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000552566545 1074373118 /nfs/dbraw/zinc/37/31/18/1074373118.db2.gz GNOKWDYWDUTPOS-CVEARBPZSA-N 2 1 397.520 -1.226 20 0 GAADMP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000552566545 1074373109 /nfs/dbraw/zinc/37/31/09/1074373109.db2.gz GNOKWDYWDUTPOS-CVEARBPZSA-N 2 1 397.520 -1.226 20 0 GAADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000552566546 1074373247 /nfs/dbraw/zinc/37/32/47/1074373247.db2.gz GNOKWDYWDUTPOS-HOTGVXAUSA-N 2 1 397.520 -1.226 20 0 GAADMP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000552566546 1074373241 /nfs/dbraw/zinc/37/32/41/1074373241.db2.gz GNOKWDYWDUTPOS-HOTGVXAUSA-N 2 1 397.520 -1.226 20 0 GAADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000552566547 1074373166 /nfs/dbraw/zinc/37/31/66/1074373166.db2.gz GNOKWDYWDUTPOS-HZPDHXFCSA-N 2 1 397.520 -1.226 20 0 GAADMP C[C@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000552566547 1074373157 /nfs/dbraw/zinc/37/31/57/1074373157.db2.gz GNOKWDYWDUTPOS-HZPDHXFCSA-N 2 1 397.520 -1.226 20 0 GAADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000552566548 1074373052 /nfs/dbraw/zinc/37/30/52/1074373052.db2.gz GNOKWDYWDUTPOS-JKSUJKDBSA-N 2 1 397.520 -1.226 20 0 GAADMP C[C@@H](CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C[NH+]1CCOCC1 ZINC000552566548 1074373044 /nfs/dbraw/zinc/37/30/44/1074373044.db2.gz GNOKWDYWDUTPOS-JKSUJKDBSA-N 2 1 397.520 -1.226 20 0 GAADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1C ZINC000552568584 1074372758 /nfs/dbraw/zinc/37/27/58/1074372758.db2.gz QXNCADFLYJCNLY-CYBMUJFWSA-N 2 1 393.492 -1.194 20 0 GAADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1C ZINC000552568584 1074372752 /nfs/dbraw/zinc/37/27/52/1074372752.db2.gz QXNCADFLYJCNLY-CYBMUJFWSA-N 2 1 393.492 -1.194 20 0 GAADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1C ZINC000552568585 1074372578 /nfs/dbraw/zinc/37/25/78/1074372578.db2.gz QXNCADFLYJCNLY-ZDUSSCGKSA-N 2 1 393.492 -1.194 20 0 GAADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1C ZINC000552568585 1074372570 /nfs/dbraw/zinc/37/25/70/1074372570.db2.gz QXNCADFLYJCNLY-ZDUSSCGKSA-N 2 1 393.492 -1.194 20 0 GAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000553777194 1074387736 /nfs/dbraw/zinc/38/77/36/1074387736.db2.gz XNLWZUGNLGFZME-UHFFFAOYSA-N 3 1 398.552 -1.393 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@H]1[NH+](C)C ZINC000554198618 1074391602 /nfs/dbraw/zinc/39/16/02/1074391602.db2.gz ASALAPWCPAKTMK-DLBZAZTESA-N 2 1 383.537 -1.099 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@H]1[NH+](C)C ZINC000554198619 1074390908 /nfs/dbraw/zinc/39/09/08/1074390908.db2.gz ASALAPWCPAKTMK-IAGOWNOFSA-N 2 1 383.537 -1.099 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@@H]1[NH+](C)C ZINC000554198620 1074391073 /nfs/dbraw/zinc/39/10/73/1074391073.db2.gz ASALAPWCPAKTMK-IRXDYDNUSA-N 2 1 383.537 -1.099 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@@H]1[NH+](C)C ZINC000554198621 1074391016 /nfs/dbraw/zinc/39/10/16/1074391016.db2.gz ASALAPWCPAKTMK-SJORKVTESA-N 2 1 383.537 -1.099 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000554344696 1074394674 /nfs/dbraw/zinc/39/46/74/1074394674.db2.gz WQODALAGEVJKBM-KRWDZBQOSA-N 2 1 381.521 -1.081 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000554344697 1074394731 /nfs/dbraw/zinc/39/47/31/1074394731.db2.gz WQODALAGEVJKBM-QGZVFWFLSA-N 2 1 381.521 -1.081 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000556095314 1074657648 /nfs/dbraw/zinc/65/76/48/1074657648.db2.gz HHMYIQWDVBTMKY-UHFFFAOYSA-N 2 1 396.536 -1.591 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000556095314 1074657644 /nfs/dbraw/zinc/65/76/44/1074657644.db2.gz HHMYIQWDVBTMKY-UHFFFAOYSA-N 2 1 396.536 -1.591 20 0 GAADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556097678 1074657541 /nfs/dbraw/zinc/65/75/41/1074657541.db2.gz BAONPGIGDDUMRO-INIZCTEOSA-N 2 1 397.520 -1.164 20 0 GAADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556097679 1074657727 /nfs/dbraw/zinc/65/77/27/1074657727.db2.gz BAONPGIGDDUMRO-MRXNPFEDSA-N 2 1 397.520 -1.164 20 0 GAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556097763 1074657534 /nfs/dbraw/zinc/65/75/34/1074657534.db2.gz FNBRLYDHGYPYRE-UHFFFAOYSA-N 3 1 384.525 -1.782 20 0 GAADMP COCC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556100357 1074657607 /nfs/dbraw/zinc/65/76/07/1074657607.db2.gz INXBXEWYCKZNQO-UHFFFAOYSA-N 2 1 383.493 -1.506 20 0 GAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556101821 1074657580 /nfs/dbraw/zinc/65/75/80/1074657580.db2.gz YROGNYSCKQDYRM-HNNXBMFYSA-N 2 1 383.493 -1.506 20 0 GAADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556101821 1074657577 /nfs/dbraw/zinc/65/75/77/1074657577.db2.gz YROGNYSCKQDYRM-HNNXBMFYSA-N 2 1 383.493 -1.506 20 0 GAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556101822 1074657713 /nfs/dbraw/zinc/65/77/13/1074657713.db2.gz YROGNYSCKQDYRM-OAHLLOKOSA-N 2 1 383.493 -1.506 20 0 GAADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556101822 1074657711 /nfs/dbraw/zinc/65/77/11/1074657711.db2.gz YROGNYSCKQDYRM-OAHLLOKOSA-N 2 1 383.493 -1.506 20 0 GAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000557302434 1075693531 /nfs/dbraw/zinc/69/35/31/1075693531.db2.gz DDGSJZUOVGKUAE-HNNXBMFYSA-N 2 1 383.493 -1.554 20 0 GAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000557302434 1075693529 /nfs/dbraw/zinc/69/35/29/1075693529.db2.gz DDGSJZUOVGKUAE-HNNXBMFYSA-N 2 1 383.493 -1.554 20 0 GAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000557302434 1075693525 /nfs/dbraw/zinc/69/35/25/1075693525.db2.gz DDGSJZUOVGKUAE-HNNXBMFYSA-N 2 1 383.493 -1.554 20 0 GAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000557302435 1075693572 /nfs/dbraw/zinc/69/35/72/1075693572.db2.gz DDGSJZUOVGKUAE-OAHLLOKOSA-N 2 1 383.493 -1.554 20 0 GAADMP COCC[NH+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000557302435 1075693567 /nfs/dbraw/zinc/69/35/67/1075693567.db2.gz DDGSJZUOVGKUAE-OAHLLOKOSA-N 2 1 383.493 -1.554 20 0 GAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000557302435 1075693561 /nfs/dbraw/zinc/69/35/61/1075693561.db2.gz DDGSJZUOVGKUAE-OAHLLOKOSA-N 2 1 383.493 -1.554 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000557410153 1075694357 /nfs/dbraw/zinc/69/43/57/1075694357.db2.gz DTFALVYKTWLXMH-CVEARBPZSA-N 2 1 396.536 -1.593 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000557410153 1075694353 /nfs/dbraw/zinc/69/43/53/1075694353.db2.gz DTFALVYKTWLXMH-CVEARBPZSA-N 2 1 396.536 -1.593 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000557410153 1075694351 /nfs/dbraw/zinc/69/43/51/1075694351.db2.gz DTFALVYKTWLXMH-CVEARBPZSA-N 2 1 396.536 -1.593 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000557410154 1075694288 /nfs/dbraw/zinc/69/42/88/1075694288.db2.gz DTFALVYKTWLXMH-HOTGVXAUSA-N 2 1 396.536 -1.593 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000557410154 1075694286 /nfs/dbraw/zinc/69/42/86/1075694286.db2.gz DTFALVYKTWLXMH-HOTGVXAUSA-N 2 1 396.536 -1.593 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000557410154 1075694284 /nfs/dbraw/zinc/69/42/84/1075694284.db2.gz DTFALVYKTWLXMH-HOTGVXAUSA-N 2 1 396.536 -1.593 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000557410155 1075694393 /nfs/dbraw/zinc/69/43/93/1075694393.db2.gz DTFALVYKTWLXMH-HZPDHXFCSA-N 2 1 396.536 -1.593 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000557410155 1075694391 /nfs/dbraw/zinc/69/43/91/1075694391.db2.gz DTFALVYKTWLXMH-HZPDHXFCSA-N 2 1 396.536 -1.593 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000557410155 1075694386 /nfs/dbraw/zinc/69/43/86/1075694386.db2.gz DTFALVYKTWLXMH-HZPDHXFCSA-N 2 1 396.536 -1.593 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000557410156 1075694198 /nfs/dbraw/zinc/69/41/98/1075694198.db2.gz DTFALVYKTWLXMH-JKSUJKDBSA-N 2 1 396.536 -1.593 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000557410156 1075694195 /nfs/dbraw/zinc/69/41/95/1075694195.db2.gz DTFALVYKTWLXMH-JKSUJKDBSA-N 2 1 396.536 -1.593 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000557410156 1075694193 /nfs/dbraw/zinc/69/41/93/1075694193.db2.gz DTFALVYKTWLXMH-JKSUJKDBSA-N 2 1 396.536 -1.593 20 0 GAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000557768037 1075695939 /nfs/dbraw/zinc/69/59/39/1075695939.db2.gz SHPUIHSPWXKUKH-CVEARBPZSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000557768037 1075695937 /nfs/dbraw/zinc/69/59/37/1075695937.db2.gz SHPUIHSPWXKUKH-CVEARBPZSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000557768037 1075695934 /nfs/dbraw/zinc/69/59/34/1075695934.db2.gz SHPUIHSPWXKUKH-CVEARBPZSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000557768044 1075696328 /nfs/dbraw/zinc/69/63/28/1075696328.db2.gz SHPUIHSPWXKUKH-HOTGVXAUSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000557768044 1075696324 /nfs/dbraw/zinc/69/63/24/1075696324.db2.gz SHPUIHSPWXKUKH-HOTGVXAUSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000557768044 1075696320 /nfs/dbraw/zinc/69/63/20/1075696320.db2.gz SHPUIHSPWXKUKH-HOTGVXAUSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000557768046 1075696225 /nfs/dbraw/zinc/69/62/25/1075696225.db2.gz SHPUIHSPWXKUKH-HZPDHXFCSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000557768046 1075696222 /nfs/dbraw/zinc/69/62/22/1075696222.db2.gz SHPUIHSPWXKUKH-HZPDHXFCSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000557768046 1075696220 /nfs/dbraw/zinc/69/62/20/1075696220.db2.gz SHPUIHSPWXKUKH-HZPDHXFCSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000557768048 1075696362 /nfs/dbraw/zinc/69/63/62/1075696362.db2.gz SHPUIHSPWXKUKH-JKSUJKDBSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000557768048 1075696357 /nfs/dbraw/zinc/69/63/57/1075696357.db2.gz SHPUIHSPWXKUKH-JKSUJKDBSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000557768048 1075696353 /nfs/dbraw/zinc/69/63/53/1075696353.db2.gz SHPUIHSPWXKUKH-JKSUJKDBSA-N 2 1 395.504 -1.412 20 0 GAADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000559331930 1075702629 /nfs/dbraw/zinc/70/26/29/1075702629.db2.gz GCZFPAXVNLTKFT-UHFFFAOYSA-N 2 1 395.504 -1.409 20 0 GAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000559331931 1075702712 /nfs/dbraw/zinc/70/27/12/1075702712.db2.gz GJCJUXYVTOXFST-INIZCTEOSA-N 2 1 395.504 -1.410 20 0 GAADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000559331931 1075702702 /nfs/dbraw/zinc/70/27/02/1075702702.db2.gz GJCJUXYVTOXFST-INIZCTEOSA-N 2 1 395.504 -1.410 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000559331932 1075702594 /nfs/dbraw/zinc/70/25/94/1075702594.db2.gz GJCJUXYVTOXFST-MRXNPFEDSA-N 2 1 395.504 -1.410 20 0 GAADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000559331932 1075702589 /nfs/dbraw/zinc/70/25/89/1075702589.db2.gz GJCJUXYVTOXFST-MRXNPFEDSA-N 2 1 395.504 -1.410 20 0 GAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000560940118 1075709893 /nfs/dbraw/zinc/70/98/93/1075709893.db2.gz OPXCBXUSXBTPKQ-UHFFFAOYSA-N 2 1 383.493 -1.553 20 0 GAADMP O=C(NCCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000561284673 1075711783 /nfs/dbraw/zinc/71/17/83/1075711783.db2.gz HZLSNYRSXHSMEO-CALCHBBNSA-N 2 1 378.521 -1.611 20 0 GAADMP O=C(NCCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000561284673 1075711776 /nfs/dbraw/zinc/71/17/76/1075711776.db2.gz HZLSNYRSXHSMEO-CALCHBBNSA-N 2 1 378.521 -1.611 20 0 GAADMP O=C(NCCCNC(=O)[C@@H]1C[N@H+]2CCN1CCC2)[C@H]1C[NH+]2CCN1CCC2 ZINC000561284673 1075711769 /nfs/dbraw/zinc/71/17/69/1075711769.db2.gz HZLSNYRSXHSMEO-CALCHBBNSA-N 2 1 378.521 -1.611 20 0 GAADMP O=C(NCCCNC(=O)[C@H]1C[N@H+]2CCN1CCC2)[C@H]1C[NH+]2CCN1CCC2 ZINC000561284701 1075711800 /nfs/dbraw/zinc/71/18/00/1075711800.db2.gz HZLSNYRSXHSMEO-IAGOWNOFSA-N 2 1 378.521 -1.611 20 0 GAADMP C[N@@H+](CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000562825802 1075719431 /nfs/dbraw/zinc/71/94/31/1075719431.db2.gz NHWFVPSBJINZAA-UHFFFAOYSA-N 2 1 379.436 -1.078 20 0 GAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CCN2C1=O ZINC000563442343 1075722225 /nfs/dbraw/zinc/72/22/25/1075722225.db2.gz PNFQVASYSBTLRJ-ARFHVFGLSA-N 2 1 393.488 -1.530 20 0 GAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CCN2C1=O ZINC000563442344 1075722141 /nfs/dbraw/zinc/72/21/41/1075722141.db2.gz PNFQVASYSBTLRJ-BZUAXINKSA-N 2 1 393.488 -1.530 20 0 GAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CCN2C1=O ZINC000563442345 1075721993 /nfs/dbraw/zinc/72/19/93/1075721993.db2.gz PNFQVASYSBTLRJ-OAGGEKHMSA-N 2 1 393.488 -1.530 20 0 GAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CCN2C1=O ZINC000563442346 1075722072 /nfs/dbraw/zinc/72/20/72/1075722072.db2.gz PNFQVASYSBTLRJ-XHSDSOJGSA-N 2 1 393.488 -1.530 20 0 GAADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CCN2C1=O ZINC000563452531 1075722456 /nfs/dbraw/zinc/72/24/56/1075722456.db2.gz XPNYNKAZVMXCFF-CABCVRRESA-N 2 1 381.477 -1.179 20 0 GAADMP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CCN2C1=O ZINC000563452532 1075722507 /nfs/dbraw/zinc/72/25/07/1075722507.db2.gz XPNYNKAZVMXCFF-GJZGRUSLSA-N 2 1 381.477 -1.179 20 0 GAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CCN2C1=O ZINC000563452533 1075722486 /nfs/dbraw/zinc/72/24/86/1075722486.db2.gz XPNYNKAZVMXCFF-HUUCEWRRSA-N 2 1 381.477 -1.179 20 0 GAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CCN2C1=O ZINC000563452534 1075722480 /nfs/dbraw/zinc/72/24/80/1075722480.db2.gz XPNYNKAZVMXCFF-LSDHHAIUSA-N 2 1 381.477 -1.179 20 0 GAADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1(C)C ZINC000563453467 1075722563 /nfs/dbraw/zinc/72/25/63/1075722563.db2.gz CHJZZPMOURNZCB-KBPBESRZSA-N 2 1 380.493 -2.101 20 0 GAADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1(C)C ZINC000563453476 1075722465 /nfs/dbraw/zinc/72/24/65/1075722465.db2.gz CHJZZPMOURNZCB-KGLIPLIRSA-N 2 1 380.493 -2.101 20 0 GAADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1(C)C ZINC000563453477 1075722516 /nfs/dbraw/zinc/72/25/16/1075722516.db2.gz CHJZZPMOURNZCB-UONOGXRCSA-N 2 1 380.493 -2.101 20 0 GAADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1(C)C ZINC000563453479 1075722589 /nfs/dbraw/zinc/72/25/89/1075722589.db2.gz CHJZZPMOURNZCB-ZIAGYGMSSA-N 2 1 380.493 -2.101 20 0 GAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000563455184 1075722495 /nfs/dbraw/zinc/72/24/95/1075722495.db2.gz UGDJELAPFLLXBW-KFWWJZLASA-N 2 1 381.477 -1.770 20 0 GAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000563455185 1075722437 /nfs/dbraw/zinc/72/24/37/1075722437.db2.gz UGDJELAPFLLXBW-RBSFLKMASA-N 2 1 381.477 -1.770 20 0 GAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000563455186 1075722529 /nfs/dbraw/zinc/72/25/29/1075722529.db2.gz UGDJELAPFLLXBW-RRFJBIMHSA-N 2 1 381.477 -1.770 20 0 GAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000563455187 1075722540 /nfs/dbraw/zinc/72/25/40/1075722540.db2.gz UGDJELAPFLLXBW-ZNMIVQPWSA-N 2 1 381.477 -1.770 20 0 GAADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000563456296 1075722874 /nfs/dbraw/zinc/72/28/74/1075722874.db2.gz CNAXNAJSSCYOMK-BZUAXINKSA-N 2 1 394.520 -1.853 20 0 GAADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000563456299 1075722903 /nfs/dbraw/zinc/72/29/03/1075722903.db2.gz CNAXNAJSSCYOMK-OAGGEKHMSA-N 2 1 394.520 -1.853 20 0 GAADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000563456300 1075722826 /nfs/dbraw/zinc/72/28/26/1075722826.db2.gz CNAXNAJSSCYOMK-OWCLPIDISA-N 2 1 394.520 -1.853 20 0 GAADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000563456301 1075722892 /nfs/dbraw/zinc/72/28/92/1075722892.db2.gz CNAXNAJSSCYOMK-PMPSAXMXSA-N 2 1 394.520 -1.853 20 0 GAADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C1)c(=O)n2C ZINC000563638929 1075723405 /nfs/dbraw/zinc/72/34/05/1075723405.db2.gz XAFIRFIQLMLMEC-NEPJUHHUSA-N 2 1 375.433 -1.932 20 0 GAADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C1)c(=O)n2C ZINC000563638929 1075723403 /nfs/dbraw/zinc/72/34/03/1075723403.db2.gz XAFIRFIQLMLMEC-NEPJUHHUSA-N 2 1 375.433 -1.932 20 0 GAADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCN3C(=O)[C@H]([NH3+])C[C@H]3C1)c(=O)n2C ZINC000563638930 1075723418 /nfs/dbraw/zinc/72/34/18/1075723418.db2.gz XAFIRFIQLMLMEC-NWDGAFQWSA-N 2 1 375.433 -1.932 20 0 GAADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCN3C(=O)[C@H]([NH3+])C[C@H]3C1)c(=O)n2C ZINC000563638930 1075723415 /nfs/dbraw/zinc/72/34/15/1075723415.db2.gz XAFIRFIQLMLMEC-NWDGAFQWSA-N 2 1 375.433 -1.932 20 0 GAADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCN3C(=O)[C@@H]([NH3+])C[C@H]3C1)c(=O)n2C ZINC000563638931 1075723390 /nfs/dbraw/zinc/72/33/90/1075723390.db2.gz XAFIRFIQLMLMEC-RYUDHWBXSA-N 2 1 375.433 -1.932 20 0 GAADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCN3C(=O)[C@@H]([NH3+])C[C@H]3C1)c(=O)n2C ZINC000563638931 1075723388 /nfs/dbraw/zinc/72/33/88/1075723388.db2.gz XAFIRFIQLMLMEC-RYUDHWBXSA-N 2 1 375.433 -1.932 20 0 GAADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CCN3C(=O)[C@H]([NH3+])C[C@@H]3C1)c(=O)n2C ZINC000563638933 1075723375 /nfs/dbraw/zinc/72/33/75/1075723375.db2.gz XAFIRFIQLMLMEC-VXGBXAGGSA-N 2 1 375.433 -1.932 20 0 GAADMP Cn1cnc2c1c(=O)n(CCC[N@@H+]1CCN3C(=O)[C@H]([NH3+])C[C@@H]3C1)c(=O)n2C ZINC000563638933 1075723370 /nfs/dbraw/zinc/72/33/70/1075723370.db2.gz XAFIRFIQLMLMEC-VXGBXAGGSA-N 2 1 375.433 -1.932 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000564213751 1075726484 /nfs/dbraw/zinc/72/64/84/1075726484.db2.gz CZUKNNADYBOJOF-INIZCTEOSA-N 2 1 392.508 -1.394 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000564213751 1075726482 /nfs/dbraw/zinc/72/64/82/1075726482.db2.gz CZUKNNADYBOJOF-INIZCTEOSA-N 2 1 392.508 -1.394 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000564213754 1075726544 /nfs/dbraw/zinc/72/65/44/1075726544.db2.gz CZUKNNADYBOJOF-MRXNPFEDSA-N 2 1 392.508 -1.394 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000564213754 1075726541 /nfs/dbraw/zinc/72/65/41/1075726541.db2.gz CZUKNNADYBOJOF-MRXNPFEDSA-N 2 1 392.508 -1.394 20 0 GAADMP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000564950776 1075728651 /nfs/dbraw/zinc/72/86/51/1075728651.db2.gz CUQUWKABISKVPQ-CKEIUWERSA-N 2 1 386.518 -1.035 20 0 GAADMP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000564950777 1075728535 /nfs/dbraw/zinc/72/85/35/1075728535.db2.gz CUQUWKABISKVPQ-CPUCHLNUSA-N 2 1 386.518 -1.035 20 0 GAADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000564950778 1075728606 /nfs/dbraw/zinc/72/86/06/1075728606.db2.gz CUQUWKABISKVPQ-JJRVBVJISA-N 2 1 386.518 -1.035 20 0 GAADMP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000564950779 1075728519 /nfs/dbraw/zinc/72/85/19/1075728519.db2.gz CUQUWKABISKVPQ-VBQJREDUSA-N 2 1 386.518 -1.035 20 0 GAADMP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000564951098 1073588440 /nfs/dbraw/zinc/58/84/40/1073588440.db2.gz IQMPZSGCEMIOAR-UHFFFAOYSA-N 2 1 383.478 -1.738 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000565047923 1075728881 /nfs/dbraw/zinc/72/88/81/1075728881.db2.gz YDUOCMSPFMVWMG-INIZCTEOSA-N 2 1 381.521 -1.094 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000565047923 1075728878 /nfs/dbraw/zinc/72/88/78/1075728878.db2.gz YDUOCMSPFMVWMG-INIZCTEOSA-N 2 1 381.521 -1.094 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000565047937 1075728867 /nfs/dbraw/zinc/72/88/67/1075728867.db2.gz YDUOCMSPFMVWMG-MRXNPFEDSA-N 2 1 381.521 -1.094 20 0 GAADMP CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000565047937 1075728861 /nfs/dbraw/zinc/72/88/61/1075728861.db2.gz YDUOCMSPFMVWMG-MRXNPFEDSA-N 2 1 381.521 -1.094 20 0 GAADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCCO1 ZINC000565902448 1075732317 /nfs/dbraw/zinc/73/23/17/1075732317.db2.gz UNNPUSAONRNKGG-ILXRZTDVSA-N 2 1 381.477 -1.626 20 0 GAADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCCO1 ZINC000565902449 1075732341 /nfs/dbraw/zinc/73/23/41/1075732341.db2.gz UNNPUSAONRNKGG-KFWWJZLASA-N 2 1 381.477 -1.626 20 0 GAADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCCO1 ZINC000565902450 1075732652 /nfs/dbraw/zinc/73/26/52/1075732652.db2.gz UNNPUSAONRNKGG-QLFBSQMISA-N 2 1 381.477 -1.626 20 0 GAADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCCO1 ZINC000565902451 1075732712 /nfs/dbraw/zinc/73/27/12/1075732712.db2.gz UNNPUSAONRNKGG-RBSFLKMASA-N 2 1 381.477 -1.626 20 0 GAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000566090493 1075733017 /nfs/dbraw/zinc/73/30/17/1075733017.db2.gz HHTCAJUTUAKGJH-INIZCTEOSA-N 3 1 396.536 -1.639 20 0 GAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000566090494 1075732983 /nfs/dbraw/zinc/73/29/83/1075732983.db2.gz HHTCAJUTUAKGJH-MRXNPFEDSA-N 3 1 396.536 -1.639 20 0 GAADMP Cn1c(N)c(C(=O)CN2CCC[C@@H](C(=O)N3CCNCC3)C2)c(=O)n(C)c1=O ZINC000566244604 1075733282 /nfs/dbraw/zinc/73/32/82/1075733282.db2.gz DDNHSRGWEIJQSL-GFCCVEGCSA-N 2 1 392.460 -2.007 20 0 GAADMP Cn1c(N)c(C(=O)CN2CCC[C@H](C(=O)N3CCNCC3)C2)c(=O)n(C)c1=O ZINC000566244605 1075733319 /nfs/dbraw/zinc/73/33/19/1075733319.db2.gz DDNHSRGWEIJQSL-LBPRGKRZSA-N 2 1 392.460 -2.007 20 0 GAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000566697018 1075734982 /nfs/dbraw/zinc/73/49/82/1075734982.db2.gz ZUDYSTPDDUCMSW-INIZCTEOSA-N 2 1 395.504 -1.410 20 0 GAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000566697020 1074373780 /nfs/dbraw/zinc/37/37/80/1074373780.db2.gz ZUDYSTPDDUCMSW-MRXNPFEDSA-N 2 1 395.504 -1.410 20 0 GAADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000567421467 1075737850 /nfs/dbraw/zinc/73/78/50/1075737850.db2.gz TYMUKKVBHUDBSA-UHFFFAOYSA-N 2 1 397.520 -1.307 20 0 GAADMP Cc1c(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)nnn1C1CC[NH2+]CC1 ZINC000567841504 1075739040 /nfs/dbraw/zinc/73/90/40/1075739040.db2.gz FZTKGFYWLSHFFR-UHFFFAOYSA-N 2 1 397.505 -1.430 20 0 GAADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000567884779 1075739315 /nfs/dbraw/zinc/73/93/15/1075739315.db2.gz MBMOKVYIPPVYQB-HNNXBMFYSA-N 2 1 381.477 -1.752 20 0 GAADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC(=O)N1CC[NH2+]CC1 ZINC000567884780 1075739394 /nfs/dbraw/zinc/73/93/94/1075739394.db2.gz MBMOKVYIPPVYQB-OAHLLOKOSA-N 2 1 381.477 -1.752 20 0 GAADMP COCC[NH2+]C1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000567906702 1075739684 /nfs/dbraw/zinc/73/96/84/1075739684.db2.gz SOIDZMGEQUPRSI-UHFFFAOYSA-N 2 1 383.493 -1.506 20 0 GAADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@H](N3CC[NH2+]CC3)C1)c(=O)n2C ZINC000567990614 1075739716 /nfs/dbraw/zinc/73/97/16/1075739716.db2.gz OALNPVCZVBTLND-AWEZNQCLSA-N 2 1 375.477 -1.197 20 0 GAADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1CC[C@@H](N3CC[NH2+]CC3)C1)c(=O)n2C ZINC000567990615 1075739739 /nfs/dbraw/zinc/73/97/39/1075739739.db2.gz OALNPVCZVBTLND-CQSZACIVSA-N 2 1 375.477 -1.197 20 0 GAADMP COCCC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000568542057 1075741532 /nfs/dbraw/zinc/74/15/32/1075741532.db2.gz ZSPLQRYVYDEAIX-UHFFFAOYSA-N 2 1 397.520 -1.116 20 0 GAADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000568857282 1075742489 /nfs/dbraw/zinc/74/24/89/1075742489.db2.gz UPFMTUJSUXKCJT-GFCCVEGCSA-N 2 1 385.490 -2.215 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000568857282 1075742488 /nfs/dbraw/zinc/74/24/88/1075742488.db2.gz UPFMTUJSUXKCJT-GFCCVEGCSA-N 2 1 385.490 -2.215 20 0 GAADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000568857283 1075742472 /nfs/dbraw/zinc/74/24/72/1075742472.db2.gz UPFMTUJSUXKCJT-LBPRGKRZSA-N 2 1 385.490 -2.215 20 0 GAADMP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000568857283 1075742470 /nfs/dbraw/zinc/74/24/70/1075742470.db2.gz UPFMTUJSUXKCJT-LBPRGKRZSA-N 2 1 385.490 -2.215 20 0 GAADMP CN1CCN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[C@H](C[NH3+])C1 ZINC000568988835 1075742752 /nfs/dbraw/zinc/74/27/52/1075742752.db2.gz QXYSTYADDDMZSJ-UJJTZGENSA-N 2 1 392.548 -1.143 20 0 GAADMP CN1CCN(C(=O)C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)[C@@H](C[NH3+])C1 ZINC000568988836 1075742736 /nfs/dbraw/zinc/74/27/36/1075742736.db2.gz QXYSTYADDDMZSJ-WFFDWFOESA-N 2 1 392.548 -1.143 20 0 GAADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000569946567 1075745293 /nfs/dbraw/zinc/74/52/93/1075745293.db2.gz BUVQSUFPJDSAKG-UHFFFAOYSA-N 2 1 397.520 -1.428 20 0 GAADMP C[N@H+](CCCO)C1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000569946567 1075745290 /nfs/dbraw/zinc/74/52/90/1075745290.db2.gz BUVQSUFPJDSAKG-UHFFFAOYSA-N 2 1 397.520 -1.428 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000570149852 1075745973 /nfs/dbraw/zinc/74/59/73/1075745973.db2.gz WGHZKBKABFNLDY-INIZCTEOSA-N 2 1 397.520 -1.118 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000570149855 1075745958 /nfs/dbraw/zinc/74/59/58/1075745958.db2.gz WGHZKBKABFNLDY-MRXNPFEDSA-N 2 1 397.520 -1.118 20 0 GAADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000570516075 1075746791 /nfs/dbraw/zinc/74/67/91/1075746791.db2.gz LBBWJYYTHFQMBB-INIZCTEOSA-N 2 1 395.504 -1.410 20 0 GAADMP CN(CC(=O)N1CC[NH2+]CC1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000570516076 1075746756 /nfs/dbraw/zinc/74/67/56/1075746756.db2.gz LBBWJYYTHFQMBB-MRXNPFEDSA-N 2 1 395.504 -1.410 20 0 GAADMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000571435291 1073993256 /nfs/dbraw/zinc/99/32/56/1073993256.db2.gz CLPWXCRFIIAZRL-NNZMDNLPSA-N 2 1 392.548 -1.365 20 0 GAADMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000571435291 1073993249 /nfs/dbraw/zinc/99/32/49/1073993249.db2.gz CLPWXCRFIIAZRL-NNZMDNLPSA-N 2 1 392.548 -1.365 20 0 GAADMP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)CNC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000571435291 1073993238 /nfs/dbraw/zinc/99/32/38/1073993238.db2.gz CLPWXCRFIIAZRL-NNZMDNLPSA-N 2 1 392.548 -1.365 20 0 GAADMP CC(CNC(=O)[C@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000571435299 1073993511 /nfs/dbraw/zinc/99/35/11/1073993511.db2.gz CLPWXCRFIIAZRL-QZTJIDSGSA-N 2 1 392.548 -1.365 20 0 GAADMP CC(CNC(=O)[C@@H]1C[NH+]2CCN1CCC2)CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000571435301 1073993196 /nfs/dbraw/zinc/99/31/96/1073993196.db2.gz CLPWXCRFIIAZRL-ROUUACIJSA-N 2 1 392.548 -1.365 20 0 GAADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000571642233 1074508404 /nfs/dbraw/zinc/50/84/04/1074508404.db2.gz CPFNIQQSEAAGND-GHMZBOCLSA-N 2 1 380.449 -1.976 20 0 GAADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000571642233 1074508399 /nfs/dbraw/zinc/50/83/99/1074508399.db2.gz CPFNIQQSEAAGND-GHMZBOCLSA-N 2 1 380.449 -1.976 20 0 GAADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000571642236 1074014272 /nfs/dbraw/zinc/01/42/72/1074014272.db2.gz CPFNIQQSEAAGND-MNOVXSKESA-N 2 1 380.449 -1.976 20 0 GAADMP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000571642236 1074014264 /nfs/dbraw/zinc/01/42/64/1074014264.db2.gz CPFNIQQSEAAGND-MNOVXSKESA-N 2 1 380.449 -1.976 20 0 GAADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000571642237 1074508490 /nfs/dbraw/zinc/50/84/90/1074508490.db2.gz CPFNIQQSEAAGND-QWRGUYRKSA-N 2 1 380.449 -1.976 20 0 GAADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000571642237 1074508484 /nfs/dbraw/zinc/50/84/84/1074508484.db2.gz CPFNIQQSEAAGND-QWRGUYRKSA-N 2 1 380.449 -1.976 20 0 GAADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000571642238 1074508426 /nfs/dbraw/zinc/50/84/26/1074508426.db2.gz CPFNIQQSEAAGND-WDEREUQCSA-N 2 1 380.449 -1.976 20 0 GAADMP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000571642238 1074508417 /nfs/dbraw/zinc/50/84/17/1074508417.db2.gz CPFNIQQSEAAGND-WDEREUQCSA-N 2 1 380.449 -1.976 20 0 GAADMP CN(CCC[NH+](C)C)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000571788926 530111220 /nfs/dbraw/zinc/11/12/20/530111220.db2.gz ARSFCMZMWDNYMP-UHFFFAOYSA-N 2 1 375.495 -2.158 20 0 GAADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)NCC[NH+](C)C ZINC000571924984 1075749729 /nfs/dbraw/zinc/74/97/29/1075749729.db2.gz OAMYJDCLOPERKE-CVEARBPZSA-N 2 1 397.520 -1.118 20 0 GAADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)NCC[NH+](C)C ZINC000571924993 1075749783 /nfs/dbraw/zinc/74/97/83/1075749783.db2.gz OAMYJDCLOPERKE-HOTGVXAUSA-N 2 1 397.520 -1.118 20 0 GAADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)NCC[NH+](C)C ZINC000571924994 1075749753 /nfs/dbraw/zinc/74/97/53/1075749753.db2.gz OAMYJDCLOPERKE-HZPDHXFCSA-N 2 1 397.520 -1.118 20 0 GAADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)NCC[NH+](C)C ZINC000571924995 1075749836 /nfs/dbraw/zinc/74/98/36/1075749836.db2.gz OAMYJDCLOPERKE-JKSUJKDBSA-N 2 1 397.520 -1.118 20 0 GAADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000572015723 1075749758 /nfs/dbraw/zinc/74/97/58/1075749758.db2.gz FASOPRHMQIJDRU-HNNXBMFYSA-N 2 1 391.472 -1.038 20 0 GAADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+](C)C ZINC000572015726 1075749745 /nfs/dbraw/zinc/74/97/45/1075749745.db2.gz FASOPRHMQIJDRU-OAHLLOKOSA-N 2 1 391.472 -1.038 20 0 GAADMP CN1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H](C[NH3+])C1 ZINC000572227868 1074512127 /nfs/dbraw/zinc/51/21/27/1074512127.db2.gz DFTNLKXICAURTG-MSOLQXFVSA-N 2 1 389.500 -1.029 20 0 GAADMP CN1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H](C[NH3+])C1 ZINC000572227869 1074511943 /nfs/dbraw/zinc/51/19/43/1074511943.db2.gz DFTNLKXICAURTG-QZTJIDSGSA-N 2 1 389.500 -1.029 20 0 GAADMP CN1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H](C[NH3+])C1 ZINC000572227870 1075750123 /nfs/dbraw/zinc/75/01/23/1075750123.db2.gz DFTNLKXICAURTG-ROUUACIJSA-N 2 1 389.500 -1.029 20 0 GAADMP CN1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@@H](C[NH3+])C1 ZINC000572227871 1075750141 /nfs/dbraw/zinc/75/01/41/1075750141.db2.gz DFTNLKXICAURTG-ZWKOTPCHSA-N 2 1 389.500 -1.029 20 0 GAADMP CC[N@@H+](CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)CCC(F)(F)F ZINC000572706228 1074514585 /nfs/dbraw/zinc/51/45/85/1074514585.db2.gz CJUWLCGQBALLGT-UHFFFAOYSA-N 2 1 381.399 -1.075 20 0 GAADMP CC[N@H+](CCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)CCC(F)(F)F ZINC000572706228 1074514581 /nfs/dbraw/zinc/51/45/81/1074514581.db2.gz CJUWLCGQBALLGT-UHFFFAOYSA-N 2 1 381.399 -1.075 20 0 GAADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573585644 1074521895 /nfs/dbraw/zinc/52/18/95/1074521895.db2.gz XKXQPFONAZYWKU-CABCVRRESA-N 2 1 399.517 -1.825 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573585644 1074521889 /nfs/dbraw/zinc/52/18/89/1074521889.db2.gz XKXQPFONAZYWKU-CABCVRRESA-N 2 1 399.517 -1.825 20 0 GAADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573585645 1074521806 /nfs/dbraw/zinc/52/18/06/1074521806.db2.gz XKXQPFONAZYWKU-GJZGRUSLSA-N 2 1 399.517 -1.825 20 0 GAADMP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573585645 1074521803 /nfs/dbraw/zinc/52/18/03/1074521803.db2.gz XKXQPFONAZYWKU-GJZGRUSLSA-N 2 1 399.517 -1.825 20 0 GAADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573585646 1074521780 /nfs/dbraw/zinc/52/17/80/1074521780.db2.gz XKXQPFONAZYWKU-HUUCEWRRSA-N 2 1 399.517 -1.825 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573585646 1074521777 /nfs/dbraw/zinc/52/17/77/1074521777.db2.gz XKXQPFONAZYWKU-HUUCEWRRSA-N 2 1 399.517 -1.825 20 0 GAADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573585647 1074521932 /nfs/dbraw/zinc/52/19/32/1074521932.db2.gz XKXQPFONAZYWKU-LSDHHAIUSA-N 2 1 399.517 -1.825 20 0 GAADMP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000573585647 1074521928 /nfs/dbraw/zinc/52/19/28/1074521928.db2.gz XKXQPFONAZYWKU-LSDHHAIUSA-N 2 1 399.517 -1.825 20 0 GAADMP CCC[C@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000573702463 1074522794 /nfs/dbraw/zinc/52/27/94/1074522794.db2.gz UOLIXPHLULKHEN-HNNXBMFYSA-N 2 1 383.493 -1.506 20 0 GAADMP CCC[C@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000573702463 1074522788 /nfs/dbraw/zinc/52/27/88/1074522788.db2.gz UOLIXPHLULKHEN-HNNXBMFYSA-N 2 1 383.493 -1.506 20 0 GAADMP CCC[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000573702466 1074522858 /nfs/dbraw/zinc/52/28/58/1074522858.db2.gz UOLIXPHLULKHEN-OAHLLOKOSA-N 2 1 383.493 -1.506 20 0 GAADMP CCC[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000573702466 1074522855 /nfs/dbraw/zinc/52/28/55/1074522855.db2.gz UOLIXPHLULKHEN-OAHLLOKOSA-N 2 1 383.493 -1.506 20 0 GAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000573705267 1075752233 /nfs/dbraw/zinc/75/22/33/1075752233.db2.gz KITHALKCRQBXOA-HNNXBMFYSA-N 2 1 383.493 -1.472 20 0 GAADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000573705267 1075752229 /nfs/dbraw/zinc/75/22/29/1075752229.db2.gz KITHALKCRQBXOA-HNNXBMFYSA-N 2 1 383.493 -1.472 20 0 GAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000573705268 1075752281 /nfs/dbraw/zinc/75/22/81/1075752281.db2.gz KITHALKCRQBXOA-OAHLLOKOSA-N 2 1 383.493 -1.472 20 0 GAADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000573705268 1075752278 /nfs/dbraw/zinc/75/22/78/1075752278.db2.gz KITHALKCRQBXOA-OAHLLOKOSA-N 2 1 383.493 -1.472 20 0 GAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000573747160 1075752563 /nfs/dbraw/zinc/75/25/63/1075752563.db2.gz CLKFTIZTMMIIRT-UHFFFAOYSA-N 2 1 397.520 -1.163 20 0 GAADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000573912368 1074524347 /nfs/dbraw/zinc/52/43/47/1074524347.db2.gz IFYMCUADDTYCAF-CYBMUJFWSA-N 2 1 387.506 -2.158 20 0 GAADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000573912369 1074524052 /nfs/dbraw/zinc/52/40/52/1074524052.db2.gz IFYMCUADDTYCAF-ZDUSSCGKSA-N 2 1 387.506 -2.158 20 0 GAADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000575882658 1073983171 /nfs/dbraw/zinc/98/31/71/1073983171.db2.gz WNJAGUBAQMTUED-GXTWGEPZSA-N 2 1 381.458 -1.094 20 0 GAADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000575882658 1073983165 /nfs/dbraw/zinc/98/31/65/1073983165.db2.gz WNJAGUBAQMTUED-GXTWGEPZSA-N 2 1 381.458 -1.094 20 0 GAADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000575882660 1073984013 /nfs/dbraw/zinc/98/40/13/1073984013.db2.gz WNJAGUBAQMTUED-JSGCOSHPSA-N 2 1 381.458 -1.094 20 0 GAADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000575882660 1073984007 /nfs/dbraw/zinc/98/40/07/1073984007.db2.gz WNJAGUBAQMTUED-JSGCOSHPSA-N 2 1 381.458 -1.094 20 0 GAADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000575882662 1073984062 /nfs/dbraw/zinc/98/40/62/1073984062.db2.gz WNJAGUBAQMTUED-OCCSQVGLSA-N 2 1 381.458 -1.094 20 0 GAADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000575882662 1073984058 /nfs/dbraw/zinc/98/40/58/1073984058.db2.gz WNJAGUBAQMTUED-OCCSQVGLSA-N 2 1 381.458 -1.094 20 0 GAADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000575882664 1073983979 /nfs/dbraw/zinc/98/39/79/1073983979.db2.gz WNJAGUBAQMTUED-TZMCWYRMSA-N 2 1 381.458 -1.094 20 0 GAADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000575882664 1073983975 /nfs/dbraw/zinc/98/39/75/1073983975.db2.gz WNJAGUBAQMTUED-TZMCWYRMSA-N 2 1 381.458 -1.094 20 0 GAADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000576296890 1075756963 /nfs/dbraw/zinc/75/69/63/1075756963.db2.gz FUXUPENGTCNFND-INIZCTEOSA-N 2 1 397.520 -1.164 20 0 GAADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000576296890 1075756954 /nfs/dbraw/zinc/75/69/54/1075756954.db2.gz FUXUPENGTCNFND-INIZCTEOSA-N 2 1 397.520 -1.164 20 0 GAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000576296890 1075756948 /nfs/dbraw/zinc/75/69/48/1075756948.db2.gz FUXUPENGTCNFND-INIZCTEOSA-N 2 1 397.520 -1.164 20 0 GAADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000576296891 1075757255 /nfs/dbraw/zinc/75/72/55/1075757255.db2.gz FUXUPENGTCNFND-MRXNPFEDSA-N 2 1 397.520 -1.164 20 0 GAADMP COCC[NH+](C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000576296891 1075757247 /nfs/dbraw/zinc/75/72/47/1075757247.db2.gz FUXUPENGTCNFND-MRXNPFEDSA-N 2 1 397.520 -1.164 20 0 GAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000576296891 1075757242 /nfs/dbraw/zinc/75/72/42/1075757242.db2.gz FUXUPENGTCNFND-MRXNPFEDSA-N 2 1 397.520 -1.164 20 0 GAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000577269776 1075760216 /nfs/dbraw/zinc/76/02/16/1075760216.db2.gz GTBRZIOFQDPDPU-CHWSQXEVSA-N 2 1 399.517 -1.826 20 0 GAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C[N@H+]1C1CC1 ZINC000577269776 1075760209 /nfs/dbraw/zinc/76/02/09/1075760209.db2.gz GTBRZIOFQDPDPU-CHWSQXEVSA-N 2 1 399.517 -1.826 20 0 GAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000577269781 1075760173 /nfs/dbraw/zinc/76/01/73/1075760173.db2.gz GTBRZIOFQDPDPU-OLZOCXBDSA-N 2 1 399.517 -1.826 20 0 GAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C[N@H+]1C1CC1 ZINC000577269781 1075760167 /nfs/dbraw/zinc/76/01/67/1075760167.db2.gz GTBRZIOFQDPDPU-OLZOCXBDSA-N 2 1 399.517 -1.826 20 0 GAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000577269782 1075760136 /nfs/dbraw/zinc/76/01/36/1075760136.db2.gz GTBRZIOFQDPDPU-QWHCGFSZSA-N 2 1 399.517 -1.826 20 0 GAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C[N@H+]1C1CC1 ZINC000577269782 1075760132 /nfs/dbraw/zinc/76/01/32/1075760132.db2.gz GTBRZIOFQDPDPU-QWHCGFSZSA-N 2 1 399.517 -1.826 20 0 GAADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[N@H+]1C1CC1 ZINC000577269783 1075760150 /nfs/dbraw/zinc/76/01/50/1075760150.db2.gz GTBRZIOFQDPDPU-STQMWFEESA-N 2 1 399.517 -1.826 20 0 GAADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C[N@H+]1C1CC1 ZINC000577269783 1075760145 /nfs/dbraw/zinc/76/01/45/1075760145.db2.gz GTBRZIOFQDPDPU-STQMWFEESA-N 2 1 399.517 -1.826 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000577297024 1075760567 /nfs/dbraw/zinc/76/05/67/1075760567.db2.gz WSCLJXDDAHKELC-CHWSQXEVSA-N 2 1 380.449 -2.963 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000577297025 1075760631 /nfs/dbraw/zinc/76/06/31/1075760631.db2.gz WSCLJXDDAHKELC-OLZOCXBDSA-N 2 1 380.449 -2.963 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000577297026 1075760556 /nfs/dbraw/zinc/76/05/56/1075760556.db2.gz WSCLJXDDAHKELC-QWHCGFSZSA-N 2 1 380.449 -2.963 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000577297027 1075760594 /nfs/dbraw/zinc/76/05/94/1075760594.db2.gz WSCLJXDDAHKELC-STQMWFEESA-N 2 1 380.449 -2.963 20 0 GAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000577403840 1075760674 /nfs/dbraw/zinc/76/06/74/1075760674.db2.gz UJXVWEOEEZROID-INIZCTEOSA-N 2 1 396.536 -1.639 20 0 GAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000577403843 1075760645 /nfs/dbraw/zinc/76/06/45/1075760645.db2.gz UJXVWEOEEZROID-MRXNPFEDSA-N 2 1 396.536 -1.639 20 0 GAADMP C[NH+](C)[C@]1(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCSC1 ZINC000577516129 1075761302 /nfs/dbraw/zinc/76/13/02/1075761302.db2.gz LXUPJQVVMFZRJX-KRWDZBQOSA-N 2 1 385.534 -1.180 20 0 GAADMP C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCSC1 ZINC000577516130 1075761327 /nfs/dbraw/zinc/76/13/27/1075761327.db2.gz LXUPJQVVMFZRJX-QGZVFWFLSA-N 2 1 385.534 -1.180 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000577667404 1075762494 /nfs/dbraw/zinc/76/24/94/1075762494.db2.gz OGNHJGYEWYBCTA-KRWDZBQOSA-N 2 1 381.521 -1.081 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000577667405 1075762390 /nfs/dbraw/zinc/76/23/90/1075762390.db2.gz OGNHJGYEWYBCTA-QGZVFWFLSA-N 2 1 381.521 -1.081 20 0 GAADMP O=C(NC1CC[NH+](C2CC2)CC1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000578227125 1075764718 /nfs/dbraw/zinc/76/47/18/1075764718.db2.gz XDBSLUPQRQZXDV-UHFFFAOYSA-N 2 1 399.517 -1.825 20 0 GAADMP COC(=O)CCN1CCN(C(=O)C(=O)NCC(=O)N2CCNCC2)[C@H](C)C1 ZINC000578227359 1075764788 /nfs/dbraw/zinc/76/47/88/1075764788.db2.gz DALXQFKWQWYDEF-CYBMUJFWSA-N 2 1 383.449 -2.370 20 0 GAADMP COC(=O)CCN1CCN(C(=O)C(=O)NCC(=O)N2CCNCC2)[C@@H](C)C1 ZINC000578227360 1075764696 /nfs/dbraw/zinc/76/46/96/1075764696.db2.gz DALXQFKWQWYDEF-ZDUSSCGKSA-N 2 1 383.449 -2.370 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578792902 1075766569 /nfs/dbraw/zinc/76/65/69/1075766569.db2.gz TWMNVSUKDITWKI-INIZCTEOSA-N 2 1 397.520 -1.116 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578792902 1075766568 /nfs/dbraw/zinc/76/65/68/1075766568.db2.gz TWMNVSUKDITWKI-INIZCTEOSA-N 2 1 397.520 -1.116 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578792903 1075766548 /nfs/dbraw/zinc/76/65/48/1075766548.db2.gz TWMNVSUKDITWKI-MRXNPFEDSA-N 2 1 397.520 -1.116 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000578792903 1075766543 /nfs/dbraw/zinc/76/65/43/1075766543.db2.gz TWMNVSUKDITWKI-MRXNPFEDSA-N 2 1 397.520 -1.116 20 0 GAADMP O=C(C(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000578979251 1075767113 /nfs/dbraw/zinc/76/71/13/1075767113.db2.gz VHNGJCVKLPAYAA-CYBMUJFWSA-N 2 1 385.490 -2.261 20 0 GAADMP O=C(C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000578979251 1075767108 /nfs/dbraw/zinc/76/71/08/1075767108.db2.gz VHNGJCVKLPAYAA-CYBMUJFWSA-N 2 1 385.490 -2.261 20 0 GAADMP O=C(C(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000578979252 1075767143 /nfs/dbraw/zinc/76/71/43/1075767143.db2.gz VHNGJCVKLPAYAA-ZDUSSCGKSA-N 2 1 385.490 -2.261 20 0 GAADMP O=C(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000578979252 1075767138 /nfs/dbraw/zinc/76/71/38/1075767138.db2.gz VHNGJCVKLPAYAA-ZDUSSCGKSA-N 2 1 385.490 -2.261 20 0 GAADMP CN1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[C@H](C[NH3+])C1 ZINC000579099843 1075767810 /nfs/dbraw/zinc/76/78/10/1075767810.db2.gz BHKDWVDOCUNYKH-CABCVRRESA-N 2 1 380.493 -2.147 20 0 GAADMP CN1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[C@@H](C[NH3+])C1 ZINC000579099844 1075767749 /nfs/dbraw/zinc/76/77/49/1075767749.db2.gz BHKDWVDOCUNYKH-GJZGRUSLSA-N 2 1 380.493 -2.147 20 0 GAADMP CN1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[C@H](C[NH3+])C1 ZINC000579099845 1075767823 /nfs/dbraw/zinc/76/78/23/1075767823.db2.gz BHKDWVDOCUNYKH-HUUCEWRRSA-N 2 1 380.493 -2.147 20 0 GAADMP CN1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)[C@@H](C[NH3+])C1 ZINC000579099846 1075767725 /nfs/dbraw/zinc/76/77/25/1075767725.db2.gz BHKDWVDOCUNYKH-LSDHHAIUSA-N 2 1 380.493 -2.147 20 0 GAADMP C[NH+](C)CCn1nccc1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579136097 1075767775 /nfs/dbraw/zinc/76/77/75/1075767775.db2.gz WTTVMAVWCFJYMI-UHFFFAOYSA-N 2 1 385.494 -1.104 20 0 GAADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000579755249 1073400997 /nfs/dbraw/zinc/40/09/97/1073400997.db2.gz KQYGGDONXDSLJW-HNNXBMFYSA-N 2 1 383.493 -1.554 20 0 GAADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000579755253 1073401075 /nfs/dbraw/zinc/40/10/75/1073401075.db2.gz KQYGGDONXDSLJW-OAHLLOKOSA-N 2 1 383.493 -1.554 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000579963484 1073464740 /nfs/dbraw/zinc/46/47/40/1073464740.db2.gz PPEBKENYGZILTD-INIZCTEOSA-N 2 1 394.520 -1.885 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000579963485 1073464568 /nfs/dbraw/zinc/46/45/68/1073464568.db2.gz PPEBKENYGZILTD-MRXNPFEDSA-N 2 1 394.520 -1.885 20 0 GAADMP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000580072610 1073522373 /nfs/dbraw/zinc/52/23/73/1073522373.db2.gz OEACOUCGUCYGEO-AWEZNQCLSA-N 2 1 382.490 -1.133 20 0 GAADMP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000580072611 1073522459 /nfs/dbraw/zinc/52/24/59/1073522459.db2.gz OEACOUCGUCYGEO-CQSZACIVSA-N 2 1 382.490 -1.133 20 0 GAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000580660841 1073537829 /nfs/dbraw/zinc/53/78/29/1073537829.db2.gz WBSJACYXGJQQGT-DLBZAZTESA-N 2 1 385.468 -1.069 20 0 GAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000580660841 1073537814 /nfs/dbraw/zinc/53/78/14/1073537814.db2.gz WBSJACYXGJQQGT-DLBZAZTESA-N 2 1 385.468 -1.069 20 0 GAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000580660842 1073537667 /nfs/dbraw/zinc/53/76/67/1073537667.db2.gz WBSJACYXGJQQGT-IAGOWNOFSA-N 2 1 385.468 -1.069 20 0 GAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000580660842 1073537654 /nfs/dbraw/zinc/53/76/54/1073537654.db2.gz WBSJACYXGJQQGT-IAGOWNOFSA-N 2 1 385.468 -1.069 20 0 GAADMP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000580660844 1073537520 /nfs/dbraw/zinc/53/75/20/1073537520.db2.gz WBSJACYXGJQQGT-IRXDYDNUSA-N 2 1 385.468 -1.069 20 0 GAADMP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000580660844 1073537509 /nfs/dbraw/zinc/53/75/09/1073537509.db2.gz WBSJACYXGJQQGT-IRXDYDNUSA-N 2 1 385.468 -1.069 20 0 GAADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000580660848 1073537463 /nfs/dbraw/zinc/53/74/63/1073537463.db2.gz WBSJACYXGJQQGT-SJORKVTESA-N 2 1 385.468 -1.069 20 0 GAADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)CCN2C1=O ZINC000580660848 1073537447 /nfs/dbraw/zinc/53/74/47/1073537447.db2.gz WBSJACYXGJQQGT-SJORKVTESA-N 2 1 385.468 -1.069 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000581146394 1073549952 /nfs/dbraw/zinc/54/99/52/1073549952.db2.gz SGZXQHJOTPHQQE-UHFFFAOYSA-N 3 1 384.525 -1.735 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000581601971 1073561336 /nfs/dbraw/zinc/56/13/36/1073561336.db2.gz IGMXMLCOJXYVDB-BEFAXECRSA-N 2 1 377.489 -1.037 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000581601972 1073561472 /nfs/dbraw/zinc/56/14/72/1073561472.db2.gz IGMXMLCOJXYVDB-DNVCBOLYSA-N 2 1 377.489 -1.037 20 0 GAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000581601973 1073561607 /nfs/dbraw/zinc/56/16/07/1073561607.db2.gz IGMXMLCOJXYVDB-HNAYVOBHSA-N 2 1 377.489 -1.037 20 0 GAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000581601974 1073561447 /nfs/dbraw/zinc/56/14/47/1073561447.db2.gz IGMXMLCOJXYVDB-KXBFYZLASA-N 2 1 377.489 -1.037 20 0 GAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000582437457 1073595262 /nfs/dbraw/zinc/59/52/62/1073595262.db2.gz OUTATAMZYINIMG-CVEARBPZSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000582437457 1073595252 /nfs/dbraw/zinc/59/52/52/1073595252.db2.gz OUTATAMZYINIMG-CVEARBPZSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000582437457 1073595241 /nfs/dbraw/zinc/59/52/41/1073595241.db2.gz OUTATAMZYINIMG-CVEARBPZSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000582437458 1073594991 /nfs/dbraw/zinc/59/49/91/1073594991.db2.gz OUTATAMZYINIMG-HOTGVXAUSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000582437458 1073594984 /nfs/dbraw/zinc/59/49/84/1073594984.db2.gz OUTATAMZYINIMG-HOTGVXAUSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000582437458 1073594975 /nfs/dbraw/zinc/59/49/75/1073594975.db2.gz OUTATAMZYINIMG-HOTGVXAUSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000582437459 1073595033 /nfs/dbraw/zinc/59/50/33/1073595033.db2.gz OUTATAMZYINIMG-HZPDHXFCSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000582437459 1073595026 /nfs/dbraw/zinc/59/50/26/1073595026.db2.gz OUTATAMZYINIMG-HZPDHXFCSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000582437459 1073595021 /nfs/dbraw/zinc/59/50/21/1073595021.db2.gz OUTATAMZYINIMG-HZPDHXFCSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000582437460 1073594806 /nfs/dbraw/zinc/59/48/06/1073594806.db2.gz OUTATAMZYINIMG-JKSUJKDBSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000582437460 1073594797 /nfs/dbraw/zinc/59/47/97/1073594797.db2.gz OUTATAMZYINIMG-JKSUJKDBSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000582437460 1073594787 /nfs/dbraw/zinc/59/47/87/1073594787.db2.gz OUTATAMZYINIMG-JKSUJKDBSA-N 2 1 397.520 -1.118 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582895266 1073606821 /nfs/dbraw/zinc/60/68/21/1073606821.db2.gz DZYJCSBADWRTNG-CABCVRRESA-N 2 1 382.509 -1.853 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000582895270 1073606878 /nfs/dbraw/zinc/60/68/78/1073606878.db2.gz DZYJCSBADWRTNG-GJZGRUSLSA-N 2 1 382.509 -1.853 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582895271 1073606976 /nfs/dbraw/zinc/60/69/76/1073606976.db2.gz DZYJCSBADWRTNG-HUUCEWRRSA-N 2 1 382.509 -1.853 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000582895272 1073606733 /nfs/dbraw/zinc/60/67/33/1073606733.db2.gz DZYJCSBADWRTNG-LSDHHAIUSA-N 2 1 382.509 -1.853 20 0 GAADMP CN1CCN(C(=O)CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583158957 1073611978 /nfs/dbraw/zinc/61/19/78/1073611978.db2.gz VWVLZEBCLJMARW-UHFFFAOYSA-N 2 1 396.492 -2.453 20 0 GAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000583274555 1073614564 /nfs/dbraw/zinc/61/45/64/1073614564.db2.gz GORWHUZNSCJSNV-CABCVRRESA-N 2 1 380.493 -1.070 20 0 GAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000583274556 1073614683 /nfs/dbraw/zinc/61/46/83/1073614683.db2.gz GORWHUZNSCJSNV-GJZGRUSLSA-N 2 1 380.493 -1.070 20 0 GAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000583274557 1073615352 /nfs/dbraw/zinc/61/53/52/1073615352.db2.gz GORWHUZNSCJSNV-HUUCEWRRSA-N 2 1 380.493 -1.070 20 0 GAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000583274558 1073615423 /nfs/dbraw/zinc/61/54/23/1073615423.db2.gz GORWHUZNSCJSNV-LSDHHAIUSA-N 2 1 380.493 -1.070 20 0 GAADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000584411701 1073642442 /nfs/dbraw/zinc/64/24/42/1073642442.db2.gz PIQMKYLDDUQZME-HNNXBMFYSA-N 2 1 375.477 -1.088 20 0 GAADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000584411705 1073642361 /nfs/dbraw/zinc/64/23/61/1073642361.db2.gz PIQMKYLDDUQZME-OAHLLOKOSA-N 2 1 375.477 -1.088 20 0 GAADMP O=C(C(=O)N1CC[C@H]([NH+]2CCCC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000584523877 1073815086 /nfs/dbraw/zinc/81/50/86/1073815086.db2.gz FVBGDRUZTYREEP-AWEZNQCLSA-N 2 1 399.517 -1.871 20 0 GAADMP O=C(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000584523878 1073815137 /nfs/dbraw/zinc/81/51/37/1073815137.db2.gz FVBGDRUZTYREEP-CQSZACIVSA-N 2 1 399.517 -1.871 20 0 GAADMP C[NH+](C)CCN1C[C@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1=O ZINC000584783848 1073879240 /nfs/dbraw/zinc/87/92/40/1073879240.db2.gz XJOVZVZTDFZPIW-CYBMUJFWSA-N 2 1 387.506 -2.158 20 0 GAADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1=O ZINC000584783849 1073879081 /nfs/dbraw/zinc/87/90/81/1073879081.db2.gz XJOVZVZTDFZPIW-ZDUSSCGKSA-N 2 1 387.506 -2.158 20 0 GAADMP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCOCC[NH+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208345 1074525478 /nfs/dbraw/zinc/52/54/78/1074525478.db2.gz SSMCCICTZWHFMQ-FPCVCCKLSA-N 2 1 388.461 -1.285 20 0 GAADMP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCOCC[NH+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208345 1074525474 /nfs/dbraw/zinc/52/54/74/1074525474.db2.gz SSMCCICTZWHFMQ-FPCVCCKLSA-N 2 1 388.461 -1.285 20 0 GAADMP COC(=O)[C@@H]1C[C@@H](O)C[NH+](CCOCC[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208345 1074525465 /nfs/dbraw/zinc/52/54/65/1074525465.db2.gz SSMCCICTZWHFMQ-FPCVCCKLSA-N 2 1 388.461 -1.285 20 0 GAADMP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCOCC[NH+]2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208349 1074525632 /nfs/dbraw/zinc/52/56/32/1074525632.db2.gz SSMCCICTZWHFMQ-FZKCQIBNSA-N 2 1 388.461 -1.285 20 0 GAADMP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCOCC[NH+]2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208349 1074525626 /nfs/dbraw/zinc/52/56/26/1074525626.db2.gz SSMCCICTZWHFMQ-FZKCQIBNSA-N 2 1 388.461 -1.285 20 0 GAADMP COC(=O)[C@@H]1C[C@H](O)C[NH+](CCOCC[N@@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208349 1074525621 /nfs/dbraw/zinc/52/56/21/1074525621.db2.gz SSMCCICTZWHFMQ-FZKCQIBNSA-N 2 1 388.461 -1.285 20 0 GAADMP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCOCC[NH+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208350 1074525576 /nfs/dbraw/zinc/52/55/76/1074525576.db2.gz SSMCCICTZWHFMQ-SYMSYNOKSA-N 2 1 388.461 -1.285 20 0 GAADMP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCOCC[NH+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208350 1074525571 /nfs/dbraw/zinc/52/55/71/1074525571.db2.gz SSMCCICTZWHFMQ-SYMSYNOKSA-N 2 1 388.461 -1.285 20 0 GAADMP COC(=O)[C@@H]1C[C@H](O)C[NH+](CCOCC[N@@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)C1 ZINC000592208350 1074525565 /nfs/dbraw/zinc/52/55/65/1074525565.db2.gz SSMCCICTZWHFMQ-SYMSYNOKSA-N 2 1 388.461 -1.285 20 0 GAADMP COC(=O)[C@@H]1C[C@H](O)C[NH+](CCOCC[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)C1 ZINC000592208351 1074525511 /nfs/dbraw/zinc/52/55/11/1074525511.db2.gz SSMCCICTZWHFMQ-WCVJEAGWSA-N 2 1 388.461 -1.285 20 0 GAADMP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)c21 ZINC000592566611 1074529206 /nfs/dbraw/zinc/52/92/06/1074529206.db2.gz OYWAVBNHCBFFKY-GFCCVEGCSA-N 2 1 382.490 -1.221 20 0 GAADMP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)c21 ZINC000592566616 1074529179 /nfs/dbraw/zinc/52/91/79/1074529179.db2.gz OYWAVBNHCBFFKY-LBPRGKRZSA-N 2 1 382.490 -1.221 20 0 GAADMP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+](C)C1 ZINC000593639784 1074532844 /nfs/dbraw/zinc/53/28/44/1074532844.db2.gz ARIKQDVVULNKFB-CYBMUJFWSA-N 2 1 380.449 -1.054 20 0 GAADMP COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+](C)C1 ZINC000593639784 1074532838 /nfs/dbraw/zinc/53/28/38/1074532838.db2.gz ARIKQDVVULNKFB-CYBMUJFWSA-N 2 1 380.449 -1.054 20 0 GAADMP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+](C)C1 ZINC000593639788 1074532911 /nfs/dbraw/zinc/53/29/11/1074532911.db2.gz ARIKQDVVULNKFB-ZDUSSCGKSA-N 2 1 380.449 -1.054 20 0 GAADMP COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@H+](C)C1 ZINC000593639788 1074532909 /nfs/dbraw/zinc/53/29/09/1074532909.db2.gz ARIKQDVVULNKFB-ZDUSSCGKSA-N 2 1 380.449 -1.054 20 0 GAADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000594532999 1074536947 /nfs/dbraw/zinc/53/69/47/1074536947.db2.gz IURGBFHXTNAPEW-IXDOHACOSA-N 2 1 379.505 -1.498 20 0 GAADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000594533000 1074537334 /nfs/dbraw/zinc/53/73/34/1074537334.db2.gz IURGBFHXTNAPEW-YESZJQIVSA-N 2 1 379.505 -1.498 20 0 GAADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000594538014 1074537273 /nfs/dbraw/zinc/53/72/73/1074537273.db2.gz YGQYXOGOEMNHQJ-FGTMMUONSA-N 2 1 393.532 -1.109 20 0 GAADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000594538021 1074537096 /nfs/dbraw/zinc/53/70/96/1074537096.db2.gz YGQYXOGOEMNHQJ-OKZBNKHCSA-N 2 1 393.532 -1.109 20 0 GAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595276132 1074542149 /nfs/dbraw/zinc/54/21/49/1074542149.db2.gz GZUAGWUFSTZPDB-BPUTZDHNSA-N 2 1 392.504 -1.959 20 0 GAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595276132 1074542143 /nfs/dbraw/zinc/54/21/43/1074542143.db2.gz GZUAGWUFSTZPDB-BPUTZDHNSA-N 2 1 392.504 -1.959 20 0 GAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595276133 1074542183 /nfs/dbraw/zinc/54/21/83/1074542183.db2.gz GZUAGWUFSTZPDB-CWRNSKLLSA-N 2 1 392.504 -1.959 20 0 GAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595276133 1074542174 /nfs/dbraw/zinc/54/21/74/1074542174.db2.gz GZUAGWUFSTZPDB-CWRNSKLLSA-N 2 1 392.504 -1.959 20 0 GAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595276134 1074542723 /nfs/dbraw/zinc/54/27/23/1074542723.db2.gz GZUAGWUFSTZPDB-IMJJTQAJSA-N 2 1 392.504 -1.959 20 0 GAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595276134 1074542720 /nfs/dbraw/zinc/54/27/20/1074542720.db2.gz GZUAGWUFSTZPDB-IMJJTQAJSA-N 2 1 392.504 -1.959 20 0 GAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595276135 1074542743 /nfs/dbraw/zinc/54/27/43/1074542743.db2.gz GZUAGWUFSTZPDB-NUEKZKHPSA-N 2 1 392.504 -1.959 20 0 GAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595276135 1074542738 /nfs/dbraw/zinc/54/27/38/1074542738.db2.gz GZUAGWUFSTZPDB-NUEKZKHPSA-N 2 1 392.504 -1.959 20 0 GAADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595979203 1074547575 /nfs/dbraw/zinc/54/75/75/1074547575.db2.gz BTFDAEHTIZKEJG-CABCVRRESA-N 2 1 395.504 -1.426 20 0 GAADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595979204 1074547463 /nfs/dbraw/zinc/54/74/63/1074547463.db2.gz BTFDAEHTIZKEJG-GJZGRUSLSA-N 2 1 395.504 -1.426 20 0 GAADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595979205 1074547406 /nfs/dbraw/zinc/54/74/06/1074547406.db2.gz BTFDAEHTIZKEJG-HUUCEWRRSA-N 2 1 395.504 -1.426 20 0 GAADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595979206 1074547554 /nfs/dbraw/zinc/54/75/54/1074547554.db2.gz BTFDAEHTIZKEJG-LSDHHAIUSA-N 2 1 395.504 -1.426 20 0 GAADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595979238 1074546519 /nfs/dbraw/zinc/54/65/19/1074546519.db2.gz CLXARGPZXNNDTJ-ARFHVFGLSA-N 2 1 377.489 -1.053 20 0 GAADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595979239 1074546547 /nfs/dbraw/zinc/54/65/47/1074546547.db2.gz CLXARGPZXNNDTJ-HRCADAONSA-N 2 1 377.489 -1.053 20 0 GAADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595979240 1074546677 /nfs/dbraw/zinc/54/66/77/1074546677.db2.gz CLXARGPZXNNDTJ-JYJNAYRXSA-N 2 1 377.489 -1.053 20 0 GAADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595979241 1074546510 /nfs/dbraw/zinc/54/65/10/1074546510.db2.gz CLXARGPZXNNDTJ-XHSDSOJGSA-N 2 1 377.489 -1.053 20 0 GAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)CCN2C1=O ZINC000595980189 1074548168 /nfs/dbraw/zinc/54/81/68/1074548168.db2.gz HDTZWYYVDYHJAM-QLFBSQMISA-N 2 1 379.461 -2.063 20 0 GAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)CCN2C1=O ZINC000595980190 1074548051 /nfs/dbraw/zinc/54/80/51/1074548051.db2.gz HDTZWYYVDYHJAM-RBSFLKMASA-N 2 1 379.461 -2.063 20 0 GAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)CCN2C1=O ZINC000595980191 1074548671 /nfs/dbraw/zinc/54/86/71/1074548671.db2.gz HDTZWYYVDYHJAM-RRFJBIMHSA-N 2 1 379.461 -2.063 20 0 GAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)CCN2C1=O ZINC000595980192 1074548597 /nfs/dbraw/zinc/54/85/97/1074548597.db2.gz HDTZWYYVDYHJAM-SOUVJXGZSA-N 2 1 379.461 -2.063 20 0 GAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595980984 1074550660 /nfs/dbraw/zinc/55/06/60/1074550660.db2.gz MLLHVPFKCOCGAN-HZSPNIEDSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595980984 1074550653 /nfs/dbraw/zinc/55/06/53/1074550653.db2.gz MLLHVPFKCOCGAN-HZSPNIEDSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595980985 1074549984 /nfs/dbraw/zinc/54/99/84/1074549984.db2.gz MLLHVPFKCOCGAN-MCIONIFRSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595980985 1074549976 /nfs/dbraw/zinc/54/99/76/1074549976.db2.gz MLLHVPFKCOCGAN-MCIONIFRSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595980986 1074549853 /nfs/dbraw/zinc/54/98/53/1074549853.db2.gz MLLHVPFKCOCGAN-MGPQQGTHSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595980986 1074549845 /nfs/dbraw/zinc/54/98/45/1074549845.db2.gz MLLHVPFKCOCGAN-MGPQQGTHSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595980987 1074549800 /nfs/dbraw/zinc/54/98/00/1074549800.db2.gz MLLHVPFKCOCGAN-RDBSUJKOSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595980987 1074549789 /nfs/dbraw/zinc/54/97/89/1074549789.db2.gz MLLHVPFKCOCGAN-RDBSUJKOSA-N 2 1 381.477 -1.940 20 0 GAADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595981113 1074550322 /nfs/dbraw/zinc/55/03/22/1074550322.db2.gz MQQWNNLJJBMNAD-CVEARBPZSA-N 2 1 394.520 -1.759 20 0 GAADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595981113 1074550318 /nfs/dbraw/zinc/55/03/18/1074550318.db2.gz MQQWNNLJJBMNAD-CVEARBPZSA-N 2 1 394.520 -1.759 20 0 GAADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595981114 1074550677 /nfs/dbraw/zinc/55/06/77/1074550677.db2.gz MQQWNNLJJBMNAD-HOTGVXAUSA-N 2 1 394.520 -1.759 20 0 GAADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595981114 1074550673 /nfs/dbraw/zinc/55/06/73/1074550673.db2.gz MQQWNNLJJBMNAD-HOTGVXAUSA-N 2 1 394.520 -1.759 20 0 GAADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595981115 1074550633 /nfs/dbraw/zinc/55/06/33/1074550633.db2.gz MQQWNNLJJBMNAD-HZPDHXFCSA-N 2 1 394.520 -1.759 20 0 GAADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595981115 1074550630 /nfs/dbraw/zinc/55/06/30/1074550630.db2.gz MQQWNNLJJBMNAD-HZPDHXFCSA-N 2 1 394.520 -1.759 20 0 GAADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595981116 1074550572 /nfs/dbraw/zinc/55/05/72/1074550572.db2.gz MQQWNNLJJBMNAD-JKSUJKDBSA-N 2 1 394.520 -1.759 20 0 GAADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595981116 1074550564 /nfs/dbraw/zinc/55/05/64/1074550564.db2.gz MQQWNNLJJBMNAD-JKSUJKDBSA-N 2 1 394.520 -1.759 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000595981312 1074549299 /nfs/dbraw/zinc/54/92/99/1074549299.db2.gz OFABSQGGUUNCRD-HZSPNIEDSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000595981312 1074549296 /nfs/dbraw/zinc/54/92/96/1074549296.db2.gz OFABSQGGUUNCRD-HZSPNIEDSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000595981313 1074549232 /nfs/dbraw/zinc/54/92/32/1074549232.db2.gz OFABSQGGUUNCRD-MCIONIFRSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000595981313 1074549228 /nfs/dbraw/zinc/54/92/28/1074549228.db2.gz OFABSQGGUUNCRD-MCIONIFRSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000595981314 1074549253 /nfs/dbraw/zinc/54/92/53/1074549253.db2.gz OFABSQGGUUNCRD-MGPQQGTHSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000595981314 1074549246 /nfs/dbraw/zinc/54/92/46/1074549246.db2.gz OFABSQGGUUNCRD-MGPQQGTHSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@H+]1CC(C)(C)O ZINC000595981315 1074549344 /nfs/dbraw/zinc/54/93/44/1074549344.db2.gz OFABSQGGUUNCRD-RDBSUJKOSA-N 2 1 381.477 -1.940 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000595981315 1074549340 /nfs/dbraw/zinc/54/93/40/1074549340.db2.gz OFABSQGGUUNCRD-RDBSUJKOSA-N 2 1 381.477 -1.940 20 0 GAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595981483 1074549382 /nfs/dbraw/zinc/54/93/82/1074549382.db2.gz DBHIGGQKYAQHPW-KBPBESRZSA-N 2 1 381.477 -1.674 20 0 GAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595981484 1074549423 /nfs/dbraw/zinc/54/94/23/1074549423.db2.gz DBHIGGQKYAQHPW-KGLIPLIRSA-N 2 1 381.477 -1.674 20 0 GAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595981485 1074549163 /nfs/dbraw/zinc/54/91/63/1074549163.db2.gz DBHIGGQKYAQHPW-UONOGXRCSA-N 2 1 381.477 -1.674 20 0 GAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595981486 1074549358 /nfs/dbraw/zinc/54/93/58/1074549358.db2.gz DBHIGGQKYAQHPW-ZIAGYGMSSA-N 2 1 381.477 -1.674 20 0 GAADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595982945 1074552126 /nfs/dbraw/zinc/55/21/26/1074552126.db2.gz VQRTXOICYBPKOE-BMFZPTHFSA-N 2 1 393.488 -1.532 20 0 GAADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595982946 1074552185 /nfs/dbraw/zinc/55/21/85/1074552185.db2.gz VQRTXOICYBPKOE-BPUTZDHNSA-N 2 1 393.488 -1.532 20 0 GAADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595982947 1074552489 /nfs/dbraw/zinc/55/24/89/1074552489.db2.gz VQRTXOICYBPKOE-CWRNSKLLSA-N 2 1 393.488 -1.532 20 0 GAADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595982948 1074552448 /nfs/dbraw/zinc/55/24/48/1074552448.db2.gz VQRTXOICYBPKOE-FVQBIDKESA-N 2 1 393.488 -1.532 20 0 GAADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595982949 1074552245 /nfs/dbraw/zinc/55/22/45/1074552245.db2.gz VQRTXOICYBPKOE-IMJJTQAJSA-N 2 1 393.488 -1.532 20 0 GAADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595982950 1074552286 /nfs/dbraw/zinc/55/22/86/1074552286.db2.gz VQRTXOICYBPKOE-KBMXLJTQSA-N 2 1 393.488 -1.532 20 0 GAADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595982951 1074552207 /nfs/dbraw/zinc/55/22/07/1074552207.db2.gz VQRTXOICYBPKOE-NUEKZKHPSA-N 2 1 393.488 -1.532 20 0 GAADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595982952 1074552351 /nfs/dbraw/zinc/55/23/51/1074552351.db2.gz VQRTXOICYBPKOE-VNQPRFMTSA-N 2 1 393.488 -1.532 20 0 GAADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)c1 ZINC000595983184 1074551739 /nfs/dbraw/zinc/55/17/39/1074551739.db2.gz ZNVOHBPDNNPGGN-CABCVRRESA-N 2 1 386.456 -1.191 20 0 GAADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)c1 ZINC000595983185 1074551840 /nfs/dbraw/zinc/55/18/40/1074551840.db2.gz ZNVOHBPDNNPGGN-GJZGRUSLSA-N 2 1 386.456 -1.191 20 0 GAADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)c1 ZINC000595983186 1074551549 /nfs/dbraw/zinc/55/15/49/1074551549.db2.gz ZNVOHBPDNNPGGN-HUUCEWRRSA-N 2 1 386.456 -1.191 20 0 GAADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)c1 ZINC000595983187 1074551683 /nfs/dbraw/zinc/55/16/83/1074551683.db2.gz ZNVOHBPDNNPGGN-LSDHHAIUSA-N 2 1 386.456 -1.191 20 0 GAADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@H+]1CCOC ZINC000595983329 1074551794 /nfs/dbraw/zinc/55/17/94/1074551794.db2.gz WXEDWIBDMYMJPH-BZUAXINKSA-N 2 1 395.504 -1.284 20 0 GAADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000595983329 1074551786 /nfs/dbraw/zinc/55/17/86/1074551786.db2.gz WXEDWIBDMYMJPH-BZUAXINKSA-N 2 1 395.504 -1.284 20 0 GAADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@H+]1CCOC ZINC000595983330 1074551658 /nfs/dbraw/zinc/55/16/58/1074551658.db2.gz WXEDWIBDMYMJPH-OAGGEKHMSA-N 2 1 395.504 -1.284 20 0 GAADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000595983330 1074551650 /nfs/dbraw/zinc/55/16/50/1074551650.db2.gz WXEDWIBDMYMJPH-OAGGEKHMSA-N 2 1 395.504 -1.284 20 0 GAADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@H+]1CCOC ZINC000595983331 1074551517 /nfs/dbraw/zinc/55/15/17/1074551517.db2.gz WXEDWIBDMYMJPH-OWCLPIDISA-N 2 1 395.504 -1.284 20 0 GAADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@@H+]1CCOC ZINC000595983331 1074551512 /nfs/dbraw/zinc/55/15/12/1074551512.db2.gz WXEDWIBDMYMJPH-OWCLPIDISA-N 2 1 395.504 -1.284 20 0 GAADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@H+]1CCOC ZINC000595983332 1074551495 /nfs/dbraw/zinc/55/14/95/1074551495.db2.gz WXEDWIBDMYMJPH-PMPSAXMXSA-N 2 1 395.504 -1.284 20 0 GAADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@@H+]1CCOC ZINC000595983332 1074551488 /nfs/dbraw/zinc/55/14/88/1074551488.db2.gz WXEDWIBDMYMJPH-PMPSAXMXSA-N 2 1 395.504 -1.284 20 0 GAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)C1 ZINC000595985504 1074554015 /nfs/dbraw/zinc/55/40/15/1074554015.db2.gz COTRPNPZFZEGQS-ARFHVFGLSA-N 2 1 392.504 -2.005 20 0 GAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)C1 ZINC000595985505 1074554179 /nfs/dbraw/zinc/55/41/79/1074554179.db2.gz COTRPNPZFZEGQS-HRCADAONSA-N 2 1 392.504 -2.005 20 0 GAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)C1 ZINC000595985506 1074554205 /nfs/dbraw/zinc/55/42/05/1074554205.db2.gz COTRPNPZFZEGQS-JYJNAYRXSA-N 2 1 392.504 -2.005 20 0 GAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)C1 ZINC000595985507 1074554620 /nfs/dbraw/zinc/55/46/20/1074554620.db2.gz COTRPNPZFZEGQS-XHSDSOJGSA-N 2 1 392.504 -2.005 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000595985873 1074554973 /nfs/dbraw/zinc/55/49/73/1074554973.db2.gz DYASVHOGFGKPEJ-APIJFGDWSA-N 2 1 381.477 -1.940 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000595985873 1074554970 /nfs/dbraw/zinc/55/49/70/1074554970.db2.gz DYASVHOGFGKPEJ-APIJFGDWSA-N 2 1 381.477 -1.940 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000595985874 1074555297 /nfs/dbraw/zinc/55/52/97/1074555297.db2.gz DYASVHOGFGKPEJ-GBJTYRQASA-N 2 1 381.477 -1.940 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000595985874 1074555292 /nfs/dbraw/zinc/55/52/92/1074555292.db2.gz DYASVHOGFGKPEJ-GBJTYRQASA-N 2 1 381.477 -1.940 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@H+]1C[C@@H](C)O ZINC000595985875 1074555246 /nfs/dbraw/zinc/55/52/46/1074555246.db2.gz DYASVHOGFGKPEJ-KBUPBQIOSA-N 2 1 381.477 -1.940 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000595985875 1074555240 /nfs/dbraw/zinc/55/52/40/1074555240.db2.gz DYASVHOGFGKPEJ-KBUPBQIOSA-N 2 1 381.477 -1.940 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@H+]1C[C@H](C)O ZINC000595985876 1074555173 /nfs/dbraw/zinc/55/51/73/1074555173.db2.gz DYASVHOGFGKPEJ-LJISPDSOSA-N 2 1 381.477 -1.940 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000595985876 1074555168 /nfs/dbraw/zinc/55/51/68/1074555168.db2.gz DYASVHOGFGKPEJ-LJISPDSOSA-N 2 1 381.477 -1.940 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@H+]1CCOC ZINC000595985935 1074555095 /nfs/dbraw/zinc/55/50/95/1074555095.db2.gz FPEZUAFKRGYOGM-ILXRZTDVSA-N 2 1 381.477 -1.674 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC[N@@H+]1CCOC ZINC000595985935 1074555089 /nfs/dbraw/zinc/55/50/89/1074555089.db2.gz FPEZUAFKRGYOGM-ILXRZTDVSA-N 2 1 381.477 -1.674 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@H+]1CCOC ZINC000595985936 1074555350 /nfs/dbraw/zinc/55/53/50/1074555350.db2.gz FPEZUAFKRGYOGM-KFWWJZLASA-N 2 1 381.477 -1.674 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000595985936 1074555345 /nfs/dbraw/zinc/55/53/45/1074555345.db2.gz FPEZUAFKRGYOGM-KFWWJZLASA-N 2 1 381.477 -1.674 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@H+]1CCOC ZINC000595985937 1074555274 /nfs/dbraw/zinc/55/52/74/1074555274.db2.gz FPEZUAFKRGYOGM-QLFBSQMISA-N 2 1 381.477 -1.674 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC[N@@H+]1CCOC ZINC000595985937 1074555268 /nfs/dbraw/zinc/55/52/68/1074555268.db2.gz FPEZUAFKRGYOGM-QLFBSQMISA-N 2 1 381.477 -1.674 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@H+]1CCOC ZINC000595985938 1074555071 /nfs/dbraw/zinc/55/50/71/1074555071.db2.gz FPEZUAFKRGYOGM-RBSFLKMASA-N 2 1 381.477 -1.674 20 0 GAADMP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000595985938 1074555065 /nfs/dbraw/zinc/55/50/65/1074555065.db2.gz FPEZUAFKRGYOGM-RBSFLKMASA-N 2 1 381.477 -1.674 20 0 GAADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)CCN2C1=O ZINC000595988643 1074556194 /nfs/dbraw/zinc/55/61/94/1074556194.db2.gz KKKVMAIBUMMDIZ-CABCVRRESA-N 2 1 379.461 -1.920 20 0 GAADMP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)CCN2C1=O ZINC000595988645 1074556429 /nfs/dbraw/zinc/55/64/29/1074556429.db2.gz KKKVMAIBUMMDIZ-GJZGRUSLSA-N 2 1 379.461 -1.920 20 0 GAADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)CCN2C1=O ZINC000595988647 1074556600 /nfs/dbraw/zinc/55/66/00/1074556600.db2.gz KKKVMAIBUMMDIZ-HUUCEWRRSA-N 2 1 379.461 -1.920 20 0 GAADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)CCN2C1=O ZINC000595988649 1074556638 /nfs/dbraw/zinc/55/66/38/1074556638.db2.gz KKKVMAIBUMMDIZ-LSDHHAIUSA-N 2 1 379.461 -1.920 20 0 GAADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H]1CC ZINC000595991584 1074557987 /nfs/dbraw/zinc/55/79/87/1074557987.db2.gz NYKRKRZPHDUUMV-ARFHVFGLSA-N 2 1 395.504 -1.284 20 0 GAADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H]1CC ZINC000595991584 1074557981 /nfs/dbraw/zinc/55/79/81/1074557981.db2.gz NYKRKRZPHDUUMV-ARFHVFGLSA-N 2 1 395.504 -1.284 20 0 GAADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H]1CC ZINC000595991587 1074558080 /nfs/dbraw/zinc/55/80/80/1074558080.db2.gz NYKRKRZPHDUUMV-BZUAXINKSA-N 2 1 395.504 -1.284 20 0 GAADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H]1CC ZINC000595991587 1074558074 /nfs/dbraw/zinc/55/80/74/1074558074.db2.gz NYKRKRZPHDUUMV-BZUAXINKSA-N 2 1 395.504 -1.284 20 0 GAADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H]1CC ZINC000595991589 1074558031 /nfs/dbraw/zinc/55/80/31/1074558031.db2.gz NYKRKRZPHDUUMV-HRCADAONSA-N 2 1 395.504 -1.284 20 0 GAADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H]1CC ZINC000595991589 1074558019 /nfs/dbraw/zinc/55/80/19/1074558019.db2.gz NYKRKRZPHDUUMV-HRCADAONSA-N 2 1 395.504 -1.284 20 0 GAADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H]1CC ZINC000595991590 1074558142 /nfs/dbraw/zinc/55/81/42/1074558142.db2.gz NYKRKRZPHDUUMV-OWCLPIDISA-N 2 1 395.504 -1.284 20 0 GAADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H]1CC ZINC000595991590 1074558137 /nfs/dbraw/zinc/55/81/37/1074558137.db2.gz NYKRKRZPHDUUMV-OWCLPIDISA-N 2 1 395.504 -1.284 20 0 GAADMP CN(CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)CC[NH+](C)C ZINC000596006596 1074561130 /nfs/dbraw/zinc/56/11/30/1074561130.db2.gz YCZLSAPOYAFFER-CABCVRRESA-N 2 1 382.509 -1.901 20 0 GAADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000596006596 1074561124 /nfs/dbraw/zinc/56/11/24/1074561124.db2.gz YCZLSAPOYAFFER-CABCVRRESA-N 2 1 382.509 -1.901 20 0 GAADMP CN(CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)CC[NH+](C)C ZINC000596006602 1074561237 /nfs/dbraw/zinc/56/12/37/1074561237.db2.gz YCZLSAPOYAFFER-GJZGRUSLSA-N 2 1 382.509 -1.901 20 0 GAADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000596006602 1074561231 /nfs/dbraw/zinc/56/12/31/1074561231.db2.gz YCZLSAPOYAFFER-GJZGRUSLSA-N 2 1 382.509 -1.901 20 0 GAADMP CN(CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)CC[NH+](C)C ZINC000596006603 1074561207 /nfs/dbraw/zinc/56/12/07/1074561207.db2.gz YCZLSAPOYAFFER-HUUCEWRRSA-N 2 1 382.509 -1.901 20 0 GAADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000596006603 1074561200 /nfs/dbraw/zinc/56/12/00/1074561200.db2.gz YCZLSAPOYAFFER-HUUCEWRRSA-N 2 1 382.509 -1.901 20 0 GAADMP CN(CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)CC[NH+](C)C ZINC000596006604 1074561050 /nfs/dbraw/zinc/56/10/50/1074561050.db2.gz YCZLSAPOYAFFER-LSDHHAIUSA-N 2 1 382.509 -1.901 20 0 GAADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000596006604 1074561045 /nfs/dbraw/zinc/56/10/45/1074561045.db2.gz YCZLSAPOYAFFER-LSDHHAIUSA-N 2 1 382.509 -1.901 20 0 GAADMP COC(=O)c1c(NCC[NH+]2CC[C@@H](O)C2)ncnc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175968 1074572750 /nfs/dbraw/zinc/57/27/50/1074572750.db2.gz LMKRYCAOSZOPAS-ZIAGYGMSSA-N 2 1 394.476 -0.780 20 0 GAADMP COC(=O)c1c(NCC[NH+]2CC[C@H](O)C2)ncnc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199461 1074573001 /nfs/dbraw/zinc/57/30/01/1074573001.db2.gz LMKRYCAOSZOPAS-KBPBESRZSA-N 2 1 394.476 -0.780 20 0 GAADMP C[S@@](=O)C1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000602511342 530089693 /nfs/dbraw/zinc/08/96/93/530089693.db2.gz OPMJQSXHAJRBAS-HSZRJFAPSA-N 2 1 378.520 -2.067 20 0 GAADMP C[S@](=O)C1(C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[NH2+]CC1 ZINC000602511355 530089624 /nfs/dbraw/zinc/08/96/24/530089624.db2.gz OPMJQSXHAJRBAS-QHCPKHFHSA-N 2 1 378.520 -2.067 20 0 GAADMP C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)n[nH]1 ZINC000612871467 1074342318 /nfs/dbraw/zinc/34/23/18/1074342318.db2.gz NWEYMGQZVCGQMA-CALCHBBNSA-N 2 1 384.481 -1.506 20 0 GAADMP CC1[C@H](C(=O)N2CCN(CCO)[C@@H](C)C2)[C@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000613698372 1073869645 /nfs/dbraw/zinc/86/96/45/1073869645.db2.gz XPLJVEPGGOZZMX-LAQRGFTBSA-N 2 1 396.532 -1.082 20 0 GAADMP CC1[C@H](C(=O)N2CCN(CCO)[C@@H](C)C2)[C@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000613698372 1073869632 /nfs/dbraw/zinc/86/96/32/1073869632.db2.gz XPLJVEPGGOZZMX-LAQRGFTBSA-N 2 1 396.532 -1.082 20 0 GAADMP CC1[C@H](C(=O)N2CCN(CCO)[C@H](C)C2)[C@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000613698374 1073869726 /nfs/dbraw/zinc/86/97/26/1073869726.db2.gz XPLJVEPGGOZZMX-LMSBXDPUSA-N 2 1 396.532 -1.082 20 0 GAADMP CC1[C@H](C(=O)N2CCN(CCO)[C@H](C)C2)[C@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000613698374 1073869719 /nfs/dbraw/zinc/86/97/19/1073869719.db2.gz XPLJVEPGGOZZMX-LMSBXDPUSA-N 2 1 396.532 -1.082 20 0 GAADMP C[C@H]1[C@H](C(=O)N2CCN(CCO)[C@H](C)C2)[C@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000613698375 1073869563 /nfs/dbraw/zinc/86/95/63/1073869563.db2.gz XPLJVEPGGOZZMX-PNKHAZJDSA-N 2 1 396.532 -1.082 20 0 GAADMP C[C@H]1[C@H](C(=O)N2CCN(CCO)[C@H](C)C2)[C@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000613698375 1073869549 /nfs/dbraw/zinc/86/95/49/1073869549.db2.gz XPLJVEPGGOZZMX-PNKHAZJDSA-N 2 1 396.532 -1.082 20 0 GAADMP C[C@H]1[C@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)[C@H]1C(=O)N1CCN(CCO)[C@@H](C)C1 ZINC000613698375 1073869536 /nfs/dbraw/zinc/86/95/36/1073869536.db2.gz XPLJVEPGGOZZMX-PNKHAZJDSA-N 2 1 396.532 -1.082 20 0 GAADMP CC1[C@H](C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000616702874 1074684257 /nfs/dbraw/zinc/68/42/57/1074684257.db2.gz ILIYRWILJHFOFV-ARAZSQDJSA-N 2 1 392.500 -1.577 20 0 GAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000617503643 1074686545 /nfs/dbraw/zinc/68/65/45/1074686545.db2.gz SDBGOXFFDTZJAF-ZDUSSCGKSA-N 2 1 393.492 -1.178 20 0 GAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000617503643 1074686541 /nfs/dbraw/zinc/68/65/41/1074686541.db2.gz SDBGOXFFDTZJAF-ZDUSSCGKSA-N 2 1 393.492 -1.178 20 0 GAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000617503746 1074686439 /nfs/dbraw/zinc/68/64/39/1074686439.db2.gz XIKGZNNWAIRNAM-ZDUSSCGKSA-N 2 1 393.492 -1.178 20 0 GAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000617503746 1074686433 /nfs/dbraw/zinc/68/64/33/1074686433.db2.gz XIKGZNNWAIRNAM-ZDUSSCGKSA-N 2 1 393.492 -1.178 20 0 GAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000617506344 530100908 /nfs/dbraw/zinc/10/09/08/530100908.db2.gz KJWUVOKZSMZCOA-HNNXBMFYSA-N 2 1 377.555 -1.048 20 0 GAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000617506344 530100907 /nfs/dbraw/zinc/10/09/07/530100907.db2.gz KJWUVOKZSMZCOA-HNNXBMFYSA-N 2 1 377.555 -1.048 20 0 GAADMP O[C@@H]1CC[NH+](CCNc2nc3c(c(NCC[N@H+]4CC[C@@H](O)C4)n2)SCC3)C1 ZINC000624683839 1074772175 /nfs/dbraw/zinc/77/21/75/1074772175.db2.gz VECOSOJNJXEKAH-ZIAGYGMSSA-N 2 1 394.545 -1.074 20 0 GAADMP O[C@@H]1CC[NH+](CCNc2nc3c(c(NCC[N@@H+]4CC[C@@H](O)C4)n2)SCC3)C1 ZINC000624683839 1074772167 /nfs/dbraw/zinc/77/21/67/1074772167.db2.gz VECOSOJNJXEKAH-ZIAGYGMSSA-N 2 1 394.545 -1.074 20 0 GAADMP O[C@@H]1CC[NH+](CCNc2nc(NCC[N@@H+]3CC[C@@H](O)C3)nc3c2SCC3)C1 ZINC000624683839 1074772159 /nfs/dbraw/zinc/77/21/59/1074772159.db2.gz VECOSOJNJXEKAH-ZIAGYGMSSA-N 2 1 394.545 -1.074 20 0 GAADMP O[C@@H]1CC[NH+](CCNc2cc(=NCC[N@H+]3CC[C@@H](O)C3)nc3nc[nH]n32)C1 ZINC000624684200 1074772360 /nfs/dbraw/zinc/77/23/60/1074772360.db2.gz ZDVTXOQROZLYIB-ZIAGYGMSSA-N 2 1 376.465 -1.497 20 0 GAADMP O[C@@H]1CC[NH+](CCNc2cc(=NCC[N@@H+]3CC[C@@H](O)C3)nc3nc[nH]n32)C1 ZINC000624684200 1074772353 /nfs/dbraw/zinc/77/23/53/1074772353.db2.gz ZDVTXOQROZLYIB-ZIAGYGMSSA-N 2 1 376.465 -1.497 20 0 GAADMP O[C@@H]1CC[NH+](CCN=c2cc(NCC[N@@H+]3CC[C@@H](O)C3)n3[nH]cnc3n2)C1 ZINC000624684200 1074772349 /nfs/dbraw/zinc/77/23/49/1074772349.db2.gz ZDVTXOQROZLYIB-ZIAGYGMSSA-N 2 1 376.465 -1.497 20 0 GAADMP O[C@H]1CC[NH+](CCNc2cc(=NCC[N@H+]3CC[C@H](O)C3)nc3nc[nH]n32)C1 ZINC000624775555 1074790952 /nfs/dbraw/zinc/79/09/52/1074790952.db2.gz ZDVTXOQROZLYIB-KBPBESRZSA-N 2 1 376.465 -1.497 20 0 GAADMP O[C@H]1CC[NH+](CCNc2cc(=NCC[N@@H+]3CC[C@H](O)C3)nc3nc[nH]n32)C1 ZINC000624775555 1074790944 /nfs/dbraw/zinc/79/09/44/1074790944.db2.gz ZDVTXOQROZLYIB-KBPBESRZSA-N 2 1 376.465 -1.497 20 0 GAADMP O[C@H]1CC[NH+](CCN=c2cc(NCC[N@@H+]3CC[C@H](O)C3)n3[nH]cnc3n2)C1 ZINC000624775555 1074790935 /nfs/dbraw/zinc/79/09/35/1074790935.db2.gz ZDVTXOQROZLYIB-KBPBESRZSA-N 2 1 376.465 -1.497 20 0 GAADMP O[C@H]1CC[NH+](CCNc2nc3c(c(NCC[N@H+]4CC[C@H](O)C4)n2)SCC3)C1 ZINC000624777687 1074791063 /nfs/dbraw/zinc/79/10/63/1074791063.db2.gz VECOSOJNJXEKAH-KBPBESRZSA-N 2 1 394.545 -1.074 20 0 GAADMP O[C@H]1CC[NH+](CCNc2nc3c(c(NCC[N@@H+]4CC[C@H](O)C4)n2)SCC3)C1 ZINC000624777687 1074791059 /nfs/dbraw/zinc/79/10/59/1074791059.db2.gz VECOSOJNJXEKAH-KBPBESRZSA-N 2 1 394.545 -1.074 20 0 GAADMP O[C@H]1CC[NH+](CCNc2nc(NCC[N@@H+]3CC[C@H](O)C3)nc3c2SCC3)C1 ZINC000624777687 1074791056 /nfs/dbraw/zinc/79/10/56/1074791056.db2.gz VECOSOJNJXEKAH-KBPBESRZSA-N 2 1 394.545 -1.074 20 0 GAADMP CC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000625747547 1074866089 /nfs/dbraw/zinc/86/60/89/1074866089.db2.gz RIWKXHUXTTYAGO-JKSUJKDBSA-N 2 1 380.489 -1.023 20 0 GAADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627296928 1075772167 /nfs/dbraw/zinc/77/21/67/1075772167.db2.gz XEYFOFAZVDYJLL-DLBZAZTESA-N 2 1 376.457 -1.026 20 0 GAADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627296929 1075772086 /nfs/dbraw/zinc/77/20/86/1075772086.db2.gz XEYFOFAZVDYJLL-IAGOWNOFSA-N 2 1 376.457 -1.026 20 0 GAADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627296930 1075771990 /nfs/dbraw/zinc/77/19/90/1075771990.db2.gz XEYFOFAZVDYJLL-IRXDYDNUSA-N 2 1 376.457 -1.026 20 0 GAADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627296931 1075772121 /nfs/dbraw/zinc/77/21/21/1075772121.db2.gz XEYFOFAZVDYJLL-SJORKVTESA-N 2 1 376.457 -1.026 20 0 GAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@H+]1C ZINC000627304980 1075772066 /nfs/dbraw/zinc/77/20/66/1075772066.db2.gz KTOWRRBIRFXTLM-CABCVRRESA-N 2 1 380.493 -1.245 20 0 GAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@H+]1C ZINC000627304981 1075772146 /nfs/dbraw/zinc/77/21/46/1075772146.db2.gz KTOWRRBIRFXTLM-GJZGRUSLSA-N 2 1 380.493 -1.245 20 0 GAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@H+]1C ZINC000627304982 1075772034 /nfs/dbraw/zinc/77/20/34/1075772034.db2.gz KTOWRRBIRFXTLM-HUUCEWRRSA-N 2 1 380.493 -1.245 20 0 GAADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@H+]1C ZINC000627304983 1075772015 /nfs/dbraw/zinc/77/20/15/1075772015.db2.gz KTOWRRBIRFXTLM-LSDHHAIUSA-N 2 1 380.493 -1.245 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627312973 1075772365 /nfs/dbraw/zinc/77/23/65/1075772365.db2.gz PRLZWYPCQDFQLX-HNNXBMFYSA-N 2 1 395.508 -2.482 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627312974 1075772381 /nfs/dbraw/zinc/77/23/81/1075772381.db2.gz PRLZWYPCQDFQLX-OAHLLOKOSA-N 2 1 395.508 -2.482 20 0 GAADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627325174 1075773197 /nfs/dbraw/zinc/77/31/97/1075773197.db2.gz ACUVUPVPRKVWLI-AWEZNQCLSA-N 2 1 378.477 -1.491 20 0 GAADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627325175 1075773282 /nfs/dbraw/zinc/77/32/82/1075773282.db2.gz ACUVUPVPRKVWLI-CQSZACIVSA-N 2 1 378.477 -1.491 20 0 GAADMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000627329629 1075773075 /nfs/dbraw/zinc/77/30/75/1075773075.db2.gz PQHBJHFDLHCIKX-LSDHHAIUSA-N 2 1 375.477 -1.029 20 0 GAADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627334388 1075773490 /nfs/dbraw/zinc/77/34/90/1075773490.db2.gz PCDRDXPDJRVFGA-UHFFFAOYSA-N 2 1 391.476 -1.133 20 0 GAADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627346290 1075774436 /nfs/dbraw/zinc/77/44/36/1075774436.db2.gz LPEQIWCPJRKESJ-UHFFFAOYSA-N 2 1 377.449 -1.523 20 0 GAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[N@H+]1C1CC1 ZINC000627349196 1075774322 /nfs/dbraw/zinc/77/43/22/1075774322.db2.gz GJOCLGYBYQMYGW-CABCVRRESA-N 2 1 392.504 -1.103 20 0 GAADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[N@H+]1C1CC1 ZINC000627349197 1075774405 /nfs/dbraw/zinc/77/44/05/1075774405.db2.gz GJOCLGYBYQMYGW-GJZGRUSLSA-N 2 1 392.504 -1.103 20 0 GAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[N@H+]1C1CC1 ZINC000627349198 1075774393 /nfs/dbraw/zinc/77/43/93/1075774393.db2.gz GJOCLGYBYQMYGW-HUUCEWRRSA-N 2 1 392.504 -1.103 20 0 GAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[N@H+]1C1CC1 ZINC000627349199 1075774428 /nfs/dbraw/zinc/77/44/28/1075774428.db2.gz GJOCLGYBYQMYGW-LSDHHAIUSA-N 2 1 392.504 -1.103 20 0 GAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627349317 1075774302 /nfs/dbraw/zinc/77/43/02/1075774302.db2.gz JOUXAKMCFBCUTM-GDBMZVCRSA-N 2 1 392.504 -1.245 20 0 GAADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627349318 1075774349 /nfs/dbraw/zinc/77/43/49/1075774349.db2.gz JOUXAKMCFBCUTM-GOEBONIOSA-N 2 1 392.504 -1.245 20 0 GAADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627349319 1075774231 /nfs/dbraw/zinc/77/42/31/1075774231.db2.gz JOUXAKMCFBCUTM-HOCLYGCPSA-N 2 1 392.504 -1.245 20 0 GAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627349320 1075774212 /nfs/dbraw/zinc/77/42/12/1075774212.db2.gz JOUXAKMCFBCUTM-ZBFHGGJFSA-N 2 1 392.504 -1.245 20 0 GAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627353230 1075774423 /nfs/dbraw/zinc/77/44/23/1075774423.db2.gz WIVNZUFERJCSSN-UHFFFAOYSA-N 2 1 384.481 -2.150 20 0 GAADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627361026 1073632842 /nfs/dbraw/zinc/63/28/42/1073632842.db2.gz COFDGGLSCPHFDZ-UHFFFAOYSA-N 2 1 398.508 -1.760 20 0 GAADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CC1 ZINC000627365425 1075775041 /nfs/dbraw/zinc/77/50/41/1075775041.db2.gz OCDKHOIHWKQWGF-UHFFFAOYSA-N 2 1 380.493 -1.244 20 0 GAADMP C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[N@@H+](C)C1CC1 ZINC000627372784 1075775419 /nfs/dbraw/zinc/77/54/19/1075775419.db2.gz WVNRCZAHNGOJAG-AWEZNQCLSA-N 2 1 380.493 -1.245 20 0 GAADMP C[C@H](CNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[N@@H+](C)C1CC1 ZINC000627372785 1075775335 /nfs/dbraw/zinc/77/53/35/1075775335.db2.gz WVNRCZAHNGOJAG-CQSZACIVSA-N 2 1 380.493 -1.245 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000627376926 1075775232 /nfs/dbraw/zinc/77/52/32/1075775232.db2.gz STKIAMHJEKGGQE-HNNXBMFYSA-N 2 1 392.504 -1.078 20 0 GAADMP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000627376927 1075775359 /nfs/dbraw/zinc/77/53/59/1075775359.db2.gz STKIAMHJEKGGQE-OAHLLOKOSA-N 2 1 392.504 -1.078 20 0 GAADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627378285 1075775379 /nfs/dbraw/zinc/77/53/79/1075775379.db2.gz JBWBUQHYLUKGJZ-CVEARBPZSA-N 2 1 392.504 -1.101 20 0 GAADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627378286 1075775296 /nfs/dbraw/zinc/77/52/96/1075775296.db2.gz JBWBUQHYLUKGJZ-HOTGVXAUSA-N 2 1 392.504 -1.101 20 0 GAADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627378287 1075775271 /nfs/dbraw/zinc/77/52/71/1075775271.db2.gz JBWBUQHYLUKGJZ-HZPDHXFCSA-N 2 1 392.504 -1.101 20 0 GAADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627378288 1075775369 /nfs/dbraw/zinc/77/53/69/1075775369.db2.gz JBWBUQHYLUKGJZ-JKSUJKDBSA-N 2 1 392.504 -1.101 20 0 GAADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627378689 1075775315 /nfs/dbraw/zinc/77/53/15/1075775315.db2.gz RFOGNRUFKKMSIF-HNNXBMFYSA-N 2 1 392.504 -1.244 20 0 GAADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627378690 1075775392 /nfs/dbraw/zinc/77/53/92/1075775392.db2.gz RFOGNRUFKKMSIF-OAHLLOKOSA-N 2 1 392.504 -1.244 20 0 GAADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627380748 1075775345 /nfs/dbraw/zinc/77/53/45/1075775345.db2.gz XRMQNLSEMFFPCI-INIZCTEOSA-N 2 1 392.504 -1.244 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627380749 1075775406 /nfs/dbraw/zinc/77/54/06/1075775406.db2.gz XRMQNLSEMFFPCI-MRXNPFEDSA-N 2 1 392.504 -1.244 20 0 GAADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627384978 1075775443 /nfs/dbraw/zinc/77/54/43/1075775443.db2.gz VNMUVEKASVBRCC-UHFFFAOYSA-N 2 1 398.508 -1.760 20 0 GAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000627386385 1075775671 /nfs/dbraw/zinc/77/56/71/1075775671.db2.gz NGFRTTPZCCKEEY-HNNXBMFYSA-N 2 1 396.492 -2.007 20 0 GAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000627386386 1075775687 /nfs/dbraw/zinc/77/56/87/1075775687.db2.gz NGFRTTPZCCKEEY-OAHLLOKOSA-N 2 1 396.492 -2.007 20 0 GAADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627390777 1075775744 /nfs/dbraw/zinc/77/57/44/1075775744.db2.gz XLPZVSIOPIFYCK-UHFFFAOYSA-N 2 1 396.492 -2.006 20 0 GAADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627398566 1075775975 /nfs/dbraw/zinc/77/59/75/1075775975.db2.gz PXRDWSPBGQLITE-CVEARBPZSA-N 2 1 392.504 -1.101 20 0 GAADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627398567 1075776055 /nfs/dbraw/zinc/77/60/55/1075776055.db2.gz PXRDWSPBGQLITE-HOTGVXAUSA-N 2 1 392.504 -1.101 20 0 GAADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627398568 1075776094 /nfs/dbraw/zinc/77/60/94/1075776094.db2.gz PXRDWSPBGQLITE-HZPDHXFCSA-N 2 1 392.504 -1.101 20 0 GAADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627398569 1075776364 /nfs/dbraw/zinc/77/63/64/1075776364.db2.gz PXRDWSPBGQLITE-JKSUJKDBSA-N 2 1 392.504 -1.101 20 0 GAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000627428987 1075776681 /nfs/dbraw/zinc/77/66/81/1075776681.db2.gz ULOGFTWKYSNTTK-HNNXBMFYSA-N 2 1 380.493 -1.244 20 0 GAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000627428988 1075776544 /nfs/dbraw/zinc/77/65/44/1075776544.db2.gz ULOGFTWKYSNTTK-OAHLLOKOSA-N 2 1 380.493 -1.244 20 0 GAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627454024 1075777301 /nfs/dbraw/zinc/77/73/01/1075777301.db2.gz DYTJYYMNHILMMS-AWEZNQCLSA-N 2 1 381.477 -1.625 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627454025 1075777257 /nfs/dbraw/zinc/77/72/57/1075777257.db2.gz DYTJYYMNHILMMS-CQSZACIVSA-N 2 1 381.477 -1.625 20 0 GAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000627462761 1075777797 /nfs/dbraw/zinc/77/77/97/1075777797.db2.gz CCVYJCAPVQNXOS-UHFFFAOYSA-N 2 1 397.520 -1.259 20 0 GAADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC000627487246 1075779466 /nfs/dbraw/zinc/77/94/66/1075779466.db2.gz XWLAAAFNNVIZHB-UHFFFAOYSA-N 2 1 397.520 -1.129 20 0 GAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)c1cncc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000629166886 1075786130 /nfs/dbraw/zinc/78/61/30/1075786130.db2.gz AOWKVSKJIGCSGI-IAGOWNOFSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)c1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)nc1 ZINC000629167006 1075786170 /nfs/dbraw/zinc/78/61/70/1075786170.db2.gz BERAPWBKHAGNCT-HZPDHXFCSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)c1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)nc1 ZINC000629167006 1075786166 /nfs/dbraw/zinc/78/61/66/1075786166.db2.gz BERAPWBKHAGNCT-HZPDHXFCSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(C(=O)NCC[NH+]2CC[C@@H](O)C2)nc1 ZINC000629167006 1075786162 /nfs/dbraw/zinc/78/61/62/1075786162.db2.gz BERAPWBKHAGNCT-HZPDHXFCSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)c1ccnc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000629172644 1075785991 /nfs/dbraw/zinc/78/59/91/1075785991.db2.gz GCCWYMQHHJQIOD-HZPDHXFCSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)c1ccnc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000629172644 1075785986 /nfs/dbraw/zinc/78/59/86/1075785986.db2.gz GCCWYMQHHJQIOD-HZPDHXFCSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccnc(C(=O)NCC[NH+]2CC[C@@H](O)C2)c1 ZINC000629172644 1075785979 /nfs/dbraw/zinc/78/59/79/1075785979.db2.gz GCCWYMQHHJQIOD-HZPDHXFCSA-N 2 1 391.472 -1.326 20 0 GAADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+](C)CCOCC[NH3+])CC1 ZINC000629577954 1075788306 /nfs/dbraw/zinc/78/83/06/1075788306.db2.gz MAJPKAMXPAKMDC-UHFFFAOYSA-N 2 1 376.465 -1.081 20 0 GAADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+](C)CCOCC[NH3+])CC1 ZINC000629577954 1075788300 /nfs/dbraw/zinc/78/83/00/1075788300.db2.gz MAJPKAMXPAKMDC-UHFFFAOYSA-N 2 1 376.465 -1.081 20 0 GAADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000629786769 1075789200 /nfs/dbraw/zinc/78/92/00/1075789200.db2.gz YTTLYNSXBPKCTR-UHFFFAOYSA-N 2 1 394.520 -1.044 20 0 GAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000629789033 1075789548 /nfs/dbraw/zinc/78/95/48/1075789548.db2.gz XFXYLVAUPGGYQV-UHFFFAOYSA-N 2 1 380.493 -1.290 20 0 GAADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629790872 1075789489 /nfs/dbraw/zinc/78/94/89/1075789489.db2.gz LNWVQNSBDWNWSU-INIZCTEOSA-N 2 1 394.520 -1.044 20 0 GAADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629790873 1075789580 /nfs/dbraw/zinc/78/95/80/1075789580.db2.gz LNWVQNSBDWNWSU-MRXNPFEDSA-N 2 1 394.520 -1.044 20 0 GAADMP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629791935 1075789563 /nfs/dbraw/zinc/78/95/63/1075789563.db2.gz TXHCHVSHEARVAD-UHFFFAOYSA-N 2 1 392.504 -1.290 20 0 GAADMP CN(C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000629796030 1075789921 /nfs/dbraw/zinc/78/99/21/1075789921.db2.gz OCYYPIZVCUISAZ-INIZCTEOSA-N 2 1 392.504 -1.149 20 0 GAADMP CN(C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000629796032 1075789822 /nfs/dbraw/zinc/78/98/22/1075789822.db2.gz OCYYPIZVCUISAZ-MRXNPFEDSA-N 2 1 392.504 -1.149 20 0 GAADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629797142 1075790285 /nfs/dbraw/zinc/79/02/85/1075790285.db2.gz ATGNONBSGYNJID-INIZCTEOSA-N 2 1 394.520 -1.046 20 0 GAADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629797142 1075790284 /nfs/dbraw/zinc/79/02/84/1075790284.db2.gz ATGNONBSGYNJID-INIZCTEOSA-N 2 1 394.520 -1.046 20 0 GAADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629797145 1075790220 /nfs/dbraw/zinc/79/02/20/1075790220.db2.gz ATGNONBSGYNJID-MRXNPFEDSA-N 2 1 394.520 -1.046 20 0 GAADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629797145 1075790218 /nfs/dbraw/zinc/79/02/18/1075790218.db2.gz ATGNONBSGYNJID-MRXNPFEDSA-N 2 1 394.520 -1.046 20 0 GAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000629797842 1075790308 /nfs/dbraw/zinc/79/03/08/1075790308.db2.gz SADKZJLRXIGKAC-UHFFFAOYSA-N 2 1 397.520 -1.177 20 0 GAADMP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629798205 1075790232 /nfs/dbraw/zinc/79/02/32/1075790232.db2.gz VHJDJEIIPUCKAX-UHFFFAOYSA-N 2 1 392.504 -1.148 20 0 GAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@H+]1C ZINC000629799449 1075790585 /nfs/dbraw/zinc/79/05/85/1075790585.db2.gz QMPRPLOITVGTTA-INIZCTEOSA-N 2 1 394.520 -1.046 20 0 GAADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@@H+]1C ZINC000629799449 1075790580 /nfs/dbraw/zinc/79/05/80/1075790580.db2.gz QMPRPLOITVGTTA-INIZCTEOSA-N 2 1 394.520 -1.046 20 0 GAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@H+]1C ZINC000629799450 1075790487 /nfs/dbraw/zinc/79/04/87/1075790487.db2.gz QMPRPLOITVGTTA-MRXNPFEDSA-N 2 1 394.520 -1.046 20 0 GAADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC[N@@H+]1C ZINC000629799450 1075790481 /nfs/dbraw/zinc/79/04/81/1075790481.db2.gz QMPRPLOITVGTTA-MRXNPFEDSA-N 2 1 394.520 -1.046 20 0 GAADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800048 1075790558 /nfs/dbraw/zinc/79/05/58/1075790558.db2.gz WSMBSXQVNWBBKY-CVEARBPZSA-N 2 1 394.520 -1.046 20 0 GAADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800049 1075790634 /nfs/dbraw/zinc/79/06/34/1075790634.db2.gz WSMBSXQVNWBBKY-HOTGVXAUSA-N 2 1 394.520 -1.046 20 0 GAADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800050 1075790448 /nfs/dbraw/zinc/79/04/48/1075790448.db2.gz WSMBSXQVNWBBKY-HZPDHXFCSA-N 2 1 394.520 -1.046 20 0 GAADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800051 1075790873 /nfs/dbraw/zinc/79/08/73/1075790873.db2.gz WSMBSXQVNWBBKY-JKSUJKDBSA-N 2 1 394.520 -1.046 20 0 GAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629801049 1075791446 /nfs/dbraw/zinc/79/14/46/1075791446.db2.gz AFQRDEFBMYCPCU-UHFFFAOYSA-N 2 1 380.493 -1.292 20 0 GAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000629801349 1075791216 /nfs/dbraw/zinc/79/12/16/1075791216.db2.gz JLHPJWCBWFNMLE-HNNXBMFYSA-N 2 1 383.493 -1.554 20 0 GAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000629801350 1075791097 /nfs/dbraw/zinc/79/10/97/1075791097.db2.gz JLHPJWCBWFNMLE-OAHLLOKOSA-N 2 1 383.493 -1.554 20 0 GAADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000629802636 1075791492 /nfs/dbraw/zinc/79/14/92/1075791492.db2.gz WDXQKVKSRSMNJR-INIZCTEOSA-N 2 1 394.520 -1.044 20 0 GAADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000629802637 1075791408 /nfs/dbraw/zinc/79/14/08/1075791408.db2.gz WDXQKVKSRSMNJR-MRXNPFEDSA-N 2 1 394.520 -1.044 20 0 GAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)[C@H]2C1 ZINC000629803322 1075791799 /nfs/dbraw/zinc/79/17/99/1075791799.db2.gz NBKBADRPBDMGIC-CVEARBPZSA-N 2 1 392.504 -1.292 20 0 GAADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)[C@H]2C1 ZINC000629803324 1075791817 /nfs/dbraw/zinc/79/18/17/1075791817.db2.gz NBKBADRPBDMGIC-HOTGVXAUSA-N 2 1 392.504 -1.292 20 0 GAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)[C@@H]2C1 ZINC000629803327 1075791840 /nfs/dbraw/zinc/79/18/40/1075791840.db2.gz NBKBADRPBDMGIC-HZPDHXFCSA-N 2 1 392.504 -1.292 20 0 GAADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)[C@@H]2C1 ZINC000629803329 1075791750 /nfs/dbraw/zinc/79/17/50/1075791750.db2.gz NBKBADRPBDMGIC-JKSUJKDBSA-N 2 1 392.504 -1.292 20 0 GAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629806012 1075792652 /nfs/dbraw/zinc/79/26/52/1075792652.db2.gz RDUZJSRCMBFRAZ-LSDHHAIUSA-N 2 1 394.476 -2.567 20 0 GAADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)C2)C1 ZINC000629809506 1075792914 /nfs/dbraw/zinc/79/29/14/1075792914.db2.gz GPTRPFPILTZMBS-IBGZPJMESA-N 2 1 392.504 -1.290 20 0 GAADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)C2)C1 ZINC000629809508 1075793038 /nfs/dbraw/zinc/79/30/38/1075793038.db2.gz GPTRPFPILTZMBS-LJQANCHMSA-N 2 1 392.504 -1.290 20 0 GAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000629809510 1075793010 /nfs/dbraw/zinc/79/30/10/1075793010.db2.gz GSFPQANLBDMBNL-UHFFFAOYSA-N 2 1 380.493 -1.292 20 0 GAADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629809789 1075793139 /nfs/dbraw/zinc/79/31/39/1075793139.db2.gz UEICHYVZTJISPD-HNNXBMFYSA-N 2 1 380.493 -1.292 20 0 GAADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629809790 1075792978 /nfs/dbraw/zinc/79/29/78/1075792978.db2.gz UEICHYVZTJISPD-OAHLLOKOSA-N 2 1 380.493 -1.292 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)[N@@H+]1C ZINC000629810304 1075793504 /nfs/dbraw/zinc/79/35/04/1075793504.db2.gz QTYQXNZUBGPVAH-GASCZTMLSA-N 2 1 380.493 -1.293 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)C[C@H](C)[N@H+]1C ZINC000629810304 1075793501 /nfs/dbraw/zinc/79/35/01/1075793501.db2.gz QTYQXNZUBGPVAH-GASCZTMLSA-N 2 1 380.493 -1.293 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)C[C@@H]21 ZINC000629810513 1075793094 /nfs/dbraw/zinc/79/30/94/1075793094.db2.gz UDPZLRHLMKPKOG-CABCVRRESA-N 2 1 378.477 -1.682 20 0 GAADMP O=C(NCC[NH+]1CC[C@H](O)C1)c1ccnc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000629913545 1075794508 /nfs/dbraw/zinc/79/45/08/1075794508.db2.gz GCCWYMQHHJQIOD-HOTGVXAUSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[NH+]1CC[C@H](O)C1)c1ccnc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000629913545 1075794507 /nfs/dbraw/zinc/79/45/07/1075794507.db2.gz GCCWYMQHHJQIOD-HOTGVXAUSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccnc(C(=O)NCC[NH+]2CC[C@H](O)C2)c1 ZINC000629913545 1075794505 /nfs/dbraw/zinc/79/45/05/1075794505.db2.gz GCCWYMQHHJQIOD-HOTGVXAUSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[NH+]1CC[C@H](O)C1)c1cncc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000629916621 1075794518 /nfs/dbraw/zinc/79/45/18/1075794518.db2.gz AOWKVSKJIGCSGI-IRXDYDNUSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[NH+]1CC[C@H](O)C1)c1ccc(C(=O)NCC[N@H+]2CC[C@H](O)C2)nc1 ZINC000629916637 1075794494 /nfs/dbraw/zinc/79/44/94/1075794494.db2.gz BERAPWBKHAGNCT-HOTGVXAUSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[NH+]1CC[C@H](O)C1)c1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)nc1 ZINC000629916637 1075794492 /nfs/dbraw/zinc/79/44/92/1075794492.db2.gz BERAPWBKHAGNCT-HOTGVXAUSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(C(=O)NCC[NH+]2CC[C@H](O)C2)nc1 ZINC000629916637 1075794489 /nfs/dbraw/zinc/79/44/89/1075794489.db2.gz BERAPWBKHAGNCT-HOTGVXAUSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)c1cccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000630026896 1075794943 /nfs/dbraw/zinc/79/49/43/1075794943.db2.gz VFJVJROHNFRBSP-HUUCEWRRSA-N 2 1 391.472 -1.326 20 0 GAADMP O=C(NCC[NH+]1CC[C@H](O)C1)c1cccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000630029348 1074469230 /nfs/dbraw/zinc/46/92/30/1074469230.db2.gz VFJVJROHNFRBSP-GJZGRUSLSA-N 2 1 391.472 -1.326 20 0 GAADMP C[C@H](CNC(=O)C1(C(=O)NC[C@@H](C)[NH+](C)C)C[C@H]1S(C)(=O)=O)[NH+](C)C ZINC000630716192 530151329 /nfs/dbraw/zinc/15/13/29/530151329.db2.gz LKNDNINDSPMPNF-JHJVBQTASA-N 2 1 376.523 -1.078 20 0 GAADMP C[C@H](CNC(=O)C1(C(=O)NC[C@@H](C)[NH+](C)C)C[C@@H]1S(C)(=O)=O)[NH+](C)C ZINC000630716194 530151146 /nfs/dbraw/zinc/15/11/46/530151146.db2.gz LKNDNINDSPMPNF-UPJWGTAASA-N 2 1 376.523 -1.078 20 0 GAADMP CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000632556890 530176529 /nfs/dbraw/zinc/17/65/29/530176529.db2.gz YBZUXDQQMPDCBI-UHFFFAOYSA-N 2 1 377.555 -1.095 20 0 GAADMP C[C@@H](C[NH+](C)C)NC(=O)C1(C(=O)N[C@@H](C)C[NH+](C)C)C[C@@H]1S(C)(=O)=O ZINC000633067611 530176217 /nfs/dbraw/zinc/17/62/17/530176217.db2.gz OVPKSTRVXOFLBA-AVGNSLFASA-N 2 1 376.523 -1.078 20 0 GAADMP C[C@@H](C[NH+](C)C)NC(=O)C1(C(=O)N[C@@H](C)C[NH+](C)C)C[C@H]1S(C)(=O)=O ZINC000633067612 530176144 /nfs/dbraw/zinc/17/61/44/530176144.db2.gz OVPKSTRVXOFLBA-RWMBFGLXSA-N 2 1 376.523 -1.078 20 0 GAADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000633079304 1075800399 /nfs/dbraw/zinc/80/03/99/1075800399.db2.gz UODRUNSVNRQQAZ-IYBDPMFKSA-N 2 1 377.489 -1.038 20 0 GAADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)CC1 ZINC000633087963 1075800371 /nfs/dbraw/zinc/80/03/71/1075800371.db2.gz CEHLUKPDNQZJQU-HOTGVXAUSA-N 2 1 377.489 -1.038 20 0 GAADMP C[C@@H](CNC(=O)C1(C(=O)NC[C@H](C)[NH+](C)C)C[C@@H]1S(C)(=O)=O)[NH+](C)C ZINC000633555765 530176034 /nfs/dbraw/zinc/17/60/34/530176034.db2.gz LKNDNINDSPMPNF-AVGNSLFASA-N 2 1 376.523 -1.078 20 0 GAADMP C[C@@H](CNC(=O)C1(C(=O)NC[C@H](C)[NH+](C)C)C[C@H]1S(C)(=O)=O)[NH+](C)C ZINC000633555766 530176488 /nfs/dbraw/zinc/17/64/88/530176488.db2.gz LKNDNINDSPMPNF-RWMBFGLXSA-N 2 1 376.523 -1.078 20 0 GAADMP O=C([C@H]1CC[C@@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000633589677 1075801222 /nfs/dbraw/zinc/80/12/22/1075801222.db2.gz NKLXQRFNFRBZGU-ARAZSQDJSA-N 2 1 392.500 -1.433 20 0 GAADMP O=C([C@@H]1CC[C@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000633589678 1075801068 /nfs/dbraw/zinc/80/10/68/1075801068.db2.gz NKLXQRFNFRBZGU-DWMDIXPDSA-N 2 1 392.500 -1.433 20 0 GAADMP O=C([C@@H]1CC[C@@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000633589679 1075801099 /nfs/dbraw/zinc/80/10/99/1075801099.db2.gz NKLXQRFNFRBZGU-PVWHLQNVSA-N 2 1 392.500 -1.433 20 0 GAADMP O=C([C@@H]1CC[C@@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000633589679 1075801095 /nfs/dbraw/zinc/80/10/95/1075801095.db2.gz NKLXQRFNFRBZGU-PVWHLQNVSA-N 2 1 392.500 -1.433 20 0 GAADMP O=C([C@@H]1CC[C@@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000633589679 1075801092 /nfs/dbraw/zinc/80/10/92/1075801092.db2.gz NKLXQRFNFRBZGU-PVWHLQNVSA-N 2 1 392.500 -1.433 20 0 GAADMP O=C(C[NH+]1C[C@@H]2COC[C@@H]2C1)N1CCN(C(=O)C[N@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC000634783426 1075802830 /nfs/dbraw/zinc/80/28/30/1075802830.db2.gz ZPOSSUXPQPUSCV-USTZCAOPSA-N 2 1 392.500 -1.186 20 0 GAADMP CN(C(=O)CN1CC[NH2+]CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000638277616 1075806570 /nfs/dbraw/zinc/80/65/70/1075806570.db2.gz MJUIPADNLYLNGC-UHFFFAOYSA-N 2 1 380.537 -1.412 20 0 GAADMP COCCOCC[N@@H+](C)CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638349434 1075807047 /nfs/dbraw/zinc/80/70/47/1075807047.db2.gz MBJYTJGZKWEYFU-UHFFFAOYSA-N 2 1 392.522 -1.583 20 0 GAADMP COCCOCC[N@H+](C)CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638349434 1075807045 /nfs/dbraw/zinc/80/70/45/1075807045.db2.gz MBJYTJGZKWEYFU-UHFFFAOYSA-N 2 1 392.522 -1.583 20 0 GAADMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638350023 1075807010 /nfs/dbraw/zinc/80/70/10/1075807010.db2.gz ZXJCKYNXIHGZLG-KRWDZBQOSA-N 2 1 395.529 -1.109 20 0 GAADMP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638350023 1075807008 /nfs/dbraw/zinc/80/70/08/1075807008.db2.gz ZXJCKYNXIHGZLG-KRWDZBQOSA-N 2 1 395.529 -1.109 20 0 GAADMP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638350024 1075807021 /nfs/dbraw/zinc/80/70/21/1075807021.db2.gz ZXJCKYNXIHGZLG-QGZVFWFLSA-N 2 1 395.529 -1.109 20 0 GAADMP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000638350024 1075807019 /nfs/dbraw/zinc/80/70/19/1075807019.db2.gz ZXJCKYNXIHGZLG-QGZVFWFLSA-N 2 1 395.529 -1.109 20 0 GAADMP CC[NH+]1CCN(C(=O)[C@H](C)n2cc(CNC(=O)CN3CC[NH2+]CC3)nn2)CC1 ZINC000640829721 1075808978 /nfs/dbraw/zinc/80/89/78/1075808978.db2.gz DJNOBAVYJPCTBA-HNNXBMFYSA-N 2 1 392.508 -1.475 20 0 GAADMP CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(CNC(=O)CN3CC[NH2+]CC3)nn2)CC1 ZINC000640829727 1075809198 /nfs/dbraw/zinc/80/91/98/1075809198.db2.gz DJNOBAVYJPCTBA-OAHLLOKOSA-N 2 1 392.508 -1.475 20 0 GAADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641811176 530135261 /nfs/dbraw/zinc/13/52/61/530135261.db2.gz OTILHOYNNZHRIW-CVEARBPZSA-N 2 1 376.523 -1.309 20 0 GAADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641811176 530135259 /nfs/dbraw/zinc/13/52/59/530135259.db2.gz OTILHOYNNZHRIW-CVEARBPZSA-N 2 1 376.523 -1.309 20 0 GAADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641811177 530135047 /nfs/dbraw/zinc/13/50/47/530135047.db2.gz OTILHOYNNZHRIW-HOTGVXAUSA-N 2 1 376.523 -1.309 20 0 GAADMP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641811177 530135044 /nfs/dbraw/zinc/13/50/44/530135044.db2.gz OTILHOYNNZHRIW-HOTGVXAUSA-N 2 1 376.523 -1.309 20 0 GAADMP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641811178 530135233 /nfs/dbraw/zinc/13/52/33/530135233.db2.gz OTILHOYNNZHRIW-HZPDHXFCSA-N 2 1 376.523 -1.309 20 0 GAADMP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641811178 530135231 /nfs/dbraw/zinc/13/52/31/530135231.db2.gz OTILHOYNNZHRIW-HZPDHXFCSA-N 2 1 376.523 -1.309 20 0 GAADMP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641811179 530134956 /nfs/dbraw/zinc/13/49/56/530134956.db2.gz OTILHOYNNZHRIW-JKSUJKDBSA-N 2 1 376.523 -1.309 20 0 GAADMP O=S(=O)(C[C@H]1C[NH2+]CCO1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641811179 530134951 /nfs/dbraw/zinc/13/49/51/530134951.db2.gz OTILHOYNNZHRIW-JKSUJKDBSA-N 2 1 376.523 -1.309 20 0 GAADMP C[N@H+]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1(C)C ZINC000641824440 1075809522 /nfs/dbraw/zinc/80/95/22/1075809522.db2.gz JJNWPSZPPPEIBG-UHFFFAOYSA-N 2 1 380.493 -1.292 20 0 GAADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1(C)C ZINC000641824440 1075809518 /nfs/dbraw/zinc/80/95/18/1075809518.db2.gz JJNWPSZPPPEIBG-UHFFFAOYSA-N 2 1 380.493 -1.292 20 0 GAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000642265402 1074613138 /nfs/dbraw/zinc/61/31/38/1074613138.db2.gz KVFUHMCZIMRZEK-CHWSQXEVSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000642265402 1074613135 /nfs/dbraw/zinc/61/31/35/1074613135.db2.gz KVFUHMCZIMRZEK-CHWSQXEVSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000642265403 1074613101 /nfs/dbraw/zinc/61/31/01/1074613101.db2.gz KVFUHMCZIMRZEK-OLZOCXBDSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000642265403 1074613093 /nfs/dbraw/zinc/61/30/93/1074613093.db2.gz KVFUHMCZIMRZEK-OLZOCXBDSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000642265404 1074613197 /nfs/dbraw/zinc/61/31/97/1074613197.db2.gz KVFUHMCZIMRZEK-QWHCGFSZSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000642265404 1074613194 /nfs/dbraw/zinc/61/31/94/1074613194.db2.gz KVFUHMCZIMRZEK-QWHCGFSZSA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@H+]1C ZINC000642265405 1075811196 /nfs/dbraw/zinc/81/11/96/1075811196.db2.gz KVFUHMCZIMRZEK-STQMWFEESA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC[N@@H+]1C ZINC000642265405 1075811195 /nfs/dbraw/zinc/81/11/95/1075811195.db2.gz KVFUHMCZIMRZEK-STQMWFEESA-N 2 1 387.506 -1.969 20 0 GAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000642718465 1075812023 /nfs/dbraw/zinc/81/20/23/1075812023.db2.gz CBXLTIDBIGUZFR-DOMZBBRYSA-N 2 1 399.517 -1.969 20 0 GAADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000642718465 1075812020 /nfs/dbraw/zinc/81/20/20/1075812020.db2.gz CBXLTIDBIGUZFR-DOMZBBRYSA-N 2 1 399.517 -1.969 20 0 GAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000642718466 1075812171 /nfs/dbraw/zinc/81/21/71/1075812171.db2.gz CBXLTIDBIGUZFR-IUODEOHRSA-N 2 1 399.517 -1.969 20 0 GAADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000642718466 1075812164 /nfs/dbraw/zinc/81/21/64/1075812164.db2.gz CBXLTIDBIGUZFR-IUODEOHRSA-N 2 1 399.517 -1.969 20 0 GAADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000642718467 1075812061 /nfs/dbraw/zinc/81/20/61/1075812061.db2.gz CBXLTIDBIGUZFR-SWLSCSKDSA-N 2 1 399.517 -1.969 20 0 GAADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000642718467 1075812059 /nfs/dbraw/zinc/81/20/59/1075812059.db2.gz CBXLTIDBIGUZFR-SWLSCSKDSA-N 2 1 399.517 -1.969 20 0 GAADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000642718468 1075812078 /nfs/dbraw/zinc/81/20/78/1075812078.db2.gz CBXLTIDBIGUZFR-WFASDCNBSA-N 2 1 399.517 -1.969 20 0 GAADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000642718468 1075812071 /nfs/dbraw/zinc/81/20/71/1075812071.db2.gz CBXLTIDBIGUZFR-WFASDCNBSA-N 2 1 399.517 -1.969 20 0 GAADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000642785785 1075812485 /nfs/dbraw/zinc/81/24/85/1075812485.db2.gz KCRMTWBFDOKQQD-AWEZNQCLSA-N 2 1 399.517 -1.967 20 0 GAADMP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000642785785 1075812480 /nfs/dbraw/zinc/81/24/80/1075812480.db2.gz KCRMTWBFDOKQQD-AWEZNQCLSA-N 2 1 399.517 -1.967 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000642785786 1075812535 /nfs/dbraw/zinc/81/25/35/1075812535.db2.gz KCRMTWBFDOKQQD-CQSZACIVSA-N 2 1 399.517 -1.967 20 0 GAADMP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000642785786 1075812530 /nfs/dbraw/zinc/81/25/30/1075812530.db2.gz KCRMTWBFDOKQQD-CQSZACIVSA-N 2 1 399.517 -1.967 20 0 GAADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000642957760 1075813071 /nfs/dbraw/zinc/81/30/71/1075813071.db2.gz GWPVIBAMCYBSKF-KKUMJFAQSA-N 2 1 395.504 -1.019 20 0 GAADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000642957761 1075813035 /nfs/dbraw/zinc/81/30/35/1075813035.db2.gz GWPVIBAMCYBSKF-RRFJBIMHSA-N 2 1 395.504 -1.019 20 0 GAADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000642957762 1075813118 /nfs/dbraw/zinc/81/31/18/1075813118.db2.gz GWPVIBAMCYBSKF-SOUVJXGZSA-N 2 1 395.504 -1.019 20 0 GAADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000642957763 1075813041 /nfs/dbraw/zinc/81/30/41/1075813041.db2.gz GWPVIBAMCYBSKF-ZNMIVQPWSA-N 2 1 395.504 -1.019 20 0 GAADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000643512674 1074364173 /nfs/dbraw/zinc/36/41/73/1074364173.db2.gz RHCBSHYKELHEFQ-FGTMMUONSA-N 2 1 393.532 -1.082 20 0 GAADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)C1 ZINC000643512680 1074364132 /nfs/dbraw/zinc/36/41/32/1074364132.db2.gz RHCBSHYKELHEFQ-KSZLIROESA-N 2 1 393.532 -1.082 20 0 GAADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCO1 ZINC000643542459 1073400849 /nfs/dbraw/zinc/40/08/49/1073400849.db2.gz ASUIUTOVANATHM-ZNMIVQPWSA-N 2 1 381.477 -1.674 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000643542466 1073400978 /nfs/dbraw/zinc/40/09/78/1073400978.db2.gz CCLHSLPHYNHUOQ-ARFHVFGLSA-N 2 1 377.489 -1.038 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643542467 1073401092 /nfs/dbraw/zinc/40/10/92/1073401092.db2.gz CCLHSLPHYNHUOQ-BZUAXINKSA-N 2 1 377.489 -1.038 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000643542468 1073400964 /nfs/dbraw/zinc/40/09/64/1073400964.db2.gz CCLHSLPHYNHUOQ-HRCADAONSA-N 2 1 377.489 -1.038 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000643542469 1073400927 /nfs/dbraw/zinc/40/09/27/1073400927.db2.gz CCLHSLPHYNHUOQ-OWCLPIDISA-N 2 1 377.489 -1.038 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000643542519 1073400911 /nfs/dbraw/zinc/40/09/11/1073400911.db2.gz QBYSUSOFRZTDAS-ARFHVFGLSA-N 2 1 377.489 -1.181 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000643542520 1073400893 /nfs/dbraw/zinc/40/08/93/1073400893.db2.gz QBYSUSOFRZTDAS-BZUAXINKSA-N 2 1 377.489 -1.181 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000643542521 1073400824 /nfs/dbraw/zinc/40/08/24/1073400824.db2.gz QBYSUSOFRZTDAS-HRCADAONSA-N 2 1 377.489 -1.181 20 0 GAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)[C@@H]2C1 ZINC000643549998 1073403869 /nfs/dbraw/zinc/40/38/69/1073403869.db2.gz QKQXOWKTEDPNFP-BZUAXINKSA-N 2 1 377.489 -1.038 20 0 GAADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)[C@@H]2C1 ZINC000643549998 1073403867 /nfs/dbraw/zinc/40/38/67/1073403867.db2.gz QKQXOWKTEDPNFP-BZUAXINKSA-N 2 1 377.489 -1.038 20 0 GAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)[C@H]2C1 ZINC000643549999 1073403740 /nfs/dbraw/zinc/40/37/40/1073403740.db2.gz QKQXOWKTEDPNFP-OAGGEKHMSA-N 2 1 377.489 -1.038 20 0 GAADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)[C@H]2C1 ZINC000643549999 1073403729 /nfs/dbraw/zinc/40/37/29/1073403729.db2.gz QKQXOWKTEDPNFP-OAGGEKHMSA-N 2 1 377.489 -1.038 20 0 GAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)[C@@H]2C1 ZINC000643550000 1075815016 /nfs/dbraw/zinc/81/50/16/1075815016.db2.gz QKQXOWKTEDPNFP-OWCLPIDISA-N 2 1 377.489 -1.038 20 0 GAADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)[C@@H]2C1 ZINC000643550000 1075815012 /nfs/dbraw/zinc/81/50/12/1075815012.db2.gz QKQXOWKTEDPNFP-OWCLPIDISA-N 2 1 377.489 -1.038 20 0 GAADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)[C@H]2C1 ZINC000643550001 1075815162 /nfs/dbraw/zinc/81/51/62/1075815162.db2.gz QKQXOWKTEDPNFP-PMPSAXMXSA-N 2 1 377.489 -1.038 20 0 GAADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)[C@H]2C1 ZINC000643550001 1075815156 /nfs/dbraw/zinc/81/51/56/1075815156.db2.gz QKQXOWKTEDPNFP-PMPSAXMXSA-N 2 1 377.489 -1.038 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)C[C@@H]21 ZINC000643569751 1075815341 /nfs/dbraw/zinc/81/53/41/1075815341.db2.gz BKKFNKKVYJVKJH-OCCSQVGLSA-N 2 1 385.490 -2.405 20 0 GAADMP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)C[C@@H]21 ZINC000643569751 1075815335 /nfs/dbraw/zinc/81/53/35/1075815335.db2.gz BKKFNKKVYJVKJH-OCCSQVGLSA-N 2 1 385.490 -2.405 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[C@H]1[NH+](C)C ZINC000643569898 1075815406 /nfs/dbraw/zinc/81/54/06/1075815406.db2.gz PLMSVPFTNDLBOF-GXTWGEPZSA-N 2 1 387.506 -2.159 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[C@@H]1[NH+](C)C ZINC000643569900 1073409177 /nfs/dbraw/zinc/40/91/77/1073409177.db2.gz PLMSVPFTNDLBOF-JSGCOSHPSA-N 2 1 387.506 -2.159 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[C@@H]1[NH+](C)C ZINC000643569902 1073409240 /nfs/dbraw/zinc/40/92/40/1073409240.db2.gz PLMSVPFTNDLBOF-OCCSQVGLSA-N 2 1 387.506 -2.159 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[C@H]1[NH+](C)C ZINC000643569904 1075815429 /nfs/dbraw/zinc/81/54/29/1075815429.db2.gz PLMSVPFTNDLBOF-TZMCWYRMSA-N 2 1 387.506 -2.159 20 0 GAADMP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000643569954 1075815136 /nfs/dbraw/zinc/81/51/36/1075815136.db2.gz WIYMJQXHGBCIBR-CYBMUJFWSA-N 2 1 387.506 -2.015 20 0 GAADMP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000643569956 1075814893 /nfs/dbraw/zinc/81/48/93/1075814893.db2.gz WIYMJQXHGBCIBR-ZDUSSCGKSA-N 2 1 387.506 -2.015 20 0 GAADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000643569958 1075815080 /nfs/dbraw/zinc/81/50/80/1075815080.db2.gz WRQIRDZPQGQMRO-CYBMUJFWSA-N 2 1 387.506 -2.158 20 0 GAADMP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000643569958 1075815076 /nfs/dbraw/zinc/81/50/76/1075815076.db2.gz WRQIRDZPQGQMRO-CYBMUJFWSA-N 2 1 387.506 -2.158 20 0 GAADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000643569961 1075815039 /nfs/dbraw/zinc/81/50/39/1075815039.db2.gz WRQIRDZPQGQMRO-ZDUSSCGKSA-N 2 1 387.506 -2.158 20 0 GAADMP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000643569961 1075815035 /nfs/dbraw/zinc/81/50/35/1075815035.db2.gz WRQIRDZPQGQMRO-ZDUSSCGKSA-N 2 1 387.506 -2.158 20 0 GAADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)C2)C1 ZINC000643569971 1075815107 /nfs/dbraw/zinc/81/51/07/1075815107.db2.gz WXGRYQLBTYBXQG-KRWDZBQOSA-N 2 1 399.517 -2.014 20 0 GAADMP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)C2)C1 ZINC000643569971 1075815101 /nfs/dbraw/zinc/81/51/01/1075815101.db2.gz WXGRYQLBTYBXQG-KRWDZBQOSA-N 2 1 399.517 -2.014 20 0 GAADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)C2)C1 ZINC000643569972 1075814939 /nfs/dbraw/zinc/81/49/39/1075814939.db2.gz WXGRYQLBTYBXQG-QGZVFWFLSA-N 2 1 399.517 -2.014 20 0 GAADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)C2)C1 ZINC000643569972 1075814936 /nfs/dbraw/zinc/81/49/36/1075814936.db2.gz WXGRYQLBTYBXQG-QGZVFWFLSA-N 2 1 399.517 -2.014 20 0 GAADMP CN1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)[C@H](C[NH3+])C1 ZINC000643576988 1075815718 /nfs/dbraw/zinc/81/57/18/1075815718.db2.gz WSNQANCNEBGIBX-DLBZAZTESA-N 2 1 380.537 -1.284 20 0 GAADMP CN1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)[C@H](C[NH3+])C1 ZINC000643576989 1075815770 /nfs/dbraw/zinc/81/57/70/1075815770.db2.gz WSNQANCNEBGIBX-IAGOWNOFSA-N 2 1 380.537 -1.284 20 0 GAADMP CN1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)[C@@H](C[NH3+])C1 ZINC000643576990 1075815813 /nfs/dbraw/zinc/81/58/13/1075815813.db2.gz WSNQANCNEBGIBX-IRXDYDNUSA-N 2 1 380.537 -1.284 20 0 GAADMP CN1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)[C@@H](C[NH3+])C1 ZINC000643576991 1075815708 /nfs/dbraw/zinc/81/57/08/1075815708.db2.gz WSNQANCNEBGIBX-SJORKVTESA-N 2 1 380.537 -1.284 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[N@H+]1CCO ZINC000643581060 1075815651 /nfs/dbraw/zinc/81/56/51/1075815651.db2.gz FELNYGHMLVEQKU-AWEZNQCLSA-N 2 1 383.493 -1.785 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC[N@@H+]1CCO ZINC000643581060 1075815644 /nfs/dbraw/zinc/81/56/44/1075815644.db2.gz FELNYGHMLVEQKU-AWEZNQCLSA-N 2 1 383.493 -1.785 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[N@H+]1CCO ZINC000643581061 1073412029 /nfs/dbraw/zinc/41/20/29/1073412029.db2.gz FELNYGHMLVEQKU-CQSZACIVSA-N 2 1 383.493 -1.785 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC[N@@H+]1CCO ZINC000643581061 1073412027 /nfs/dbraw/zinc/41/20/27/1073412027.db2.gz FELNYGHMLVEQKU-CQSZACIVSA-N 2 1 383.493 -1.785 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC[N@H+]1CCO ZINC000643590773 1073416301 /nfs/dbraw/zinc/41/63/01/1073416301.db2.gz CEQOEKFENNZNRU-HNNXBMFYSA-N 2 1 397.520 -1.252 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC[N@@H+]1CCO ZINC000643590773 1073416297 /nfs/dbraw/zinc/41/62/97/1073416297.db2.gz CEQOEKFENNZNRU-HNNXBMFYSA-N 2 1 397.520 -1.252 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC[N@H+]1CCO ZINC000643590774 1075815745 /nfs/dbraw/zinc/81/57/45/1075815745.db2.gz CEQOEKFENNZNRU-OAHLLOKOSA-N 2 1 397.520 -1.252 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC[N@@H+]1CCO ZINC000643590774 1075815738 /nfs/dbraw/zinc/81/57/38/1075815738.db2.gz CEQOEKFENNZNRU-OAHLLOKOSA-N 2 1 397.520 -1.252 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)C[C@@H]21 ZINC000643593489 1075815599 /nfs/dbraw/zinc/81/55/99/1075815599.db2.gz GFJPHJOHLNSRSP-OAGGEKHMSA-N 2 1 377.489 -1.181 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)C[C@@H]21 ZINC000643593490 1075815684 /nfs/dbraw/zinc/81/56/84/1075815684.db2.gz GFJPHJOHLNSRSP-PMPSAXMXSA-N 2 1 377.489 -1.181 20 0 GAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)C[C@H]2[NH3+])cn1 ZINC000644226351 1075816370 /nfs/dbraw/zinc/81/63/70/1075816370.db2.gz DXLWNGKHOWNSJN-LSDHHAIUSA-N 2 1 378.477 -1.412 20 0 GAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)C[C@H]2[NH3+])cn1 ZINC000644226351 1075816365 /nfs/dbraw/zinc/81/63/65/1075816365.db2.gz DXLWNGKHOWNSJN-LSDHHAIUSA-N 2 1 378.477 -1.412 20 0 GAADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000645335445 1075817343 /nfs/dbraw/zinc/81/73/43/1075817343.db2.gz FFNVBVGLYHXDEB-HNNXBMFYSA-N 2 1 375.477 -1.027 20 0 GAADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000645335446 1075817334 /nfs/dbraw/zinc/81/73/34/1075817334.db2.gz FFNVBVGLYHXDEB-OAHLLOKOSA-N 2 1 375.477 -1.027 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cn1 ZINC000645624703 1075817988 /nfs/dbraw/zinc/81/79/88/1075817988.db2.gz VQIOQQNSDYYQKM-DZGCQCFKSA-N 2 1 391.476 -1.338 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cn1 ZINC000645624704 1075818042 /nfs/dbraw/zinc/81/80/42/1075818042.db2.gz VQIOQQNSDYYQKM-HIFRSBDPSA-N 2 1 391.476 -1.338 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cn1 ZINC000645624705 1075818004 /nfs/dbraw/zinc/81/80/04/1075818004.db2.gz VQIOQQNSDYYQKM-UKRRQHHQSA-N 2 1 391.476 -1.338 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cn1 ZINC000645624706 1075818083 /nfs/dbraw/zinc/81/80/83/1075818083.db2.gz VQIOQQNSDYYQKM-ZFWWWQNUSA-N 2 1 391.476 -1.338 20 0 GAADMP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092286 1075823092 /nfs/dbraw/zinc/82/30/92/1075823092.db2.gz NIXMAUVQLUYCPK-GFCCVEGCSA-N 2 1 383.478 -1.738 20 0 GAADMP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000647092287 1075823065 /nfs/dbraw/zinc/82/30/65/1075823065.db2.gz NIXMAUVQLUYCPK-LBPRGKRZSA-N 2 1 383.478 -1.738 20 0 GAADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000647834933 1075826465 /nfs/dbraw/zinc/82/64/65/1075826465.db2.gz FXMHQKMZVUCQNC-UHFFFAOYSA-N 2 1 383.518 -1.170 20 0 GAADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000647834933 1075826462 /nfs/dbraw/zinc/82/64/62/1075826462.db2.gz FXMHQKMZVUCQNC-UHFFFAOYSA-N 2 1 383.518 -1.170 20 0 GAADMP CC(C)N(CCCNC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)S(C)(=O)=O ZINC000647835798 530094171 /nfs/dbraw/zinc/09/41/71/530094171.db2.gz OUANHPFWJJQUAN-UHFFFAOYSA-N 2 1 377.555 -1.000 20 0 GAADMP CC(C)N(CCCNC(=O)C[N@H+](C)CCN1CC[NH2+]CC1)S(C)(=O)=O ZINC000647835798 530094170 /nfs/dbraw/zinc/09/41/70/530094170.db2.gz OUANHPFWJJQUAN-UHFFFAOYSA-N 2 1 377.555 -1.000 20 0 GAADMP Cn1cc(CN(CCC(=O)N2CC[NH+](C)CC2)[C@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000647916807 1075826826 /nfs/dbraw/zinc/82/68/26/1075826826.db2.gz WGDPUPVFERBGEC-INIZCTEOSA-N 2 1 392.504 -1.588 20 0 GAADMP Cn1cc(CN(CCC(=O)N2CC[NH+](C)CC2)[C@@H]2CC[NH2+]C2)c(=O)n(C)c1=O ZINC000647916808 1075826769 /nfs/dbraw/zinc/82/67/69/1075826769.db2.gz WGDPUPVFERBGEC-MRXNPFEDSA-N 2 1 392.504 -1.588 20 0 GAADMP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000649409664 1075834260 /nfs/dbraw/zinc/83/42/60/1075834260.db2.gz LPBCHFVBNHKNSK-UHFFFAOYSA-N 2 1 382.553 -1.118 20 0 GAADMP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000649409664 1075834254 /nfs/dbraw/zinc/83/42/54/1075834254.db2.gz LPBCHFVBNHKNSK-UHFFFAOYSA-N 2 1 382.553 -1.118 20 0 GAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000650863441 1075851249 /nfs/dbraw/zinc/85/12/49/1075851249.db2.gz LPQYGTNYKLEZNM-UHFFFAOYSA-N 2 1 382.509 -1.046 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC000650878875 1075851172 /nfs/dbraw/zinc/85/11/72/1075851172.db2.gz DBAHOLBFSUCIQO-KRWDZBQOSA-N 2 1 396.536 -1.192 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1=O ZINC000650878876 1073672901 /nfs/dbraw/zinc/67/29/01/1073672901.db2.gz DBAHOLBFSUCIQO-QGZVFWFLSA-N 2 1 396.536 -1.192 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1=O ZINC000650891438 1075851571 /nfs/dbraw/zinc/85/15/71/1075851571.db2.gz LUMOBNNSETXJCQ-HNNXBMFYSA-N 2 1 382.509 -1.011 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1=O ZINC000650891439 1075851656 /nfs/dbraw/zinc/85/16/56/1075851656.db2.gz LUMOBNNSETXJCQ-OAHLLOKOSA-N 2 1 382.509 -1.011 20 0 GAADMP C[NH+](C)CCn1ccc(=NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[nH]1 ZINC000651958809 1075862629 /nfs/dbraw/zinc/86/26/29/1075862629.db2.gz SYKRUOTZVPMPLA-UHFFFAOYSA-N 2 1 379.465 -1.963 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1=O ZINC000652429200 1073921729 /nfs/dbraw/zinc/92/17/29/1073921729.db2.gz BUWHIWUPYSJXQR-UHFFFAOYSA-N 2 1 383.493 -1.866 20 0 GAADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652443694 1073922562 /nfs/dbraw/zinc/92/25/62/1073922562.db2.gz RRBMSNBEAMNJMF-UHFFFAOYSA-N 2 1 396.536 -1.685 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1=O ZINC000652448015 1075865418 /nfs/dbraw/zinc/86/54/18/1075865418.db2.gz ODYZUZUKTZIGAK-UHFFFAOYSA-N 2 1 397.520 -1.476 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000652457319 1073922451 /nfs/dbraw/zinc/92/24/51/1073922451.db2.gz BZSOOXWBSJNXAA-UHFFFAOYSA-N 2 1 395.504 -1.458 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@H+]1CC(C)(C)O ZINC000652468754 1073923041 /nfs/dbraw/zinc/92/30/41/1073923041.db2.gz QKBXJSMCDNULAU-HNNXBMFYSA-N 2 1 397.520 -1.478 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000652468754 1073923032 /nfs/dbraw/zinc/92/30/32/1073923032.db2.gz QKBXJSMCDNULAU-HNNXBMFYSA-N 2 1 397.520 -1.478 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@H+]1CC(C)(C)O ZINC000652468755 1073923169 /nfs/dbraw/zinc/92/31/69/1073923169.db2.gz QKBXJSMCDNULAU-OAHLLOKOSA-N 2 1 397.520 -1.478 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC[N@@H+]1CC(C)(C)O ZINC000652468755 1073923160 /nfs/dbraw/zinc/92/31/60/1073923160.db2.gz QKBXJSMCDNULAU-OAHLLOKOSA-N 2 1 397.520 -1.478 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000652471572 1073923936 /nfs/dbraw/zinc/92/39/36/1073923936.db2.gz VRDWDVRJNZOGEV-INIZCTEOSA-N 2 1 395.504 -1.601 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000652471573 1073923858 /nfs/dbraw/zinc/92/38/58/1073923858.db2.gz VRDWDVRJNZOGEV-MRXNPFEDSA-N 2 1 395.504 -1.601 20 0 GAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652477285 1075866220 /nfs/dbraw/zinc/86/62/20/1075866220.db2.gz NVXMTMPIQYEHLX-HNNXBMFYSA-N 2 1 397.520 -1.478 20 0 GAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652477285 1075866212 /nfs/dbraw/zinc/86/62/12/1075866212.db2.gz NVXMTMPIQYEHLX-HNNXBMFYSA-N 2 1 397.520 -1.478 20 0 GAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652477286 1073924476 /nfs/dbraw/zinc/92/44/76/1073924476.db2.gz NVXMTMPIQYEHLX-OAHLLOKOSA-N 2 1 397.520 -1.478 20 0 GAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652477286 1073924470 /nfs/dbraw/zinc/92/44/70/1073924470.db2.gz NVXMTMPIQYEHLX-OAHLLOKOSA-N 2 1 397.520 -1.478 20 0 GAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652491948 1073925115 /nfs/dbraw/zinc/92/51/15/1073925115.db2.gz QGBOFHNDLIFVAX-UHFFFAOYSA-N 2 1 397.520 -1.212 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1=O ZINC000652505343 1073925297 /nfs/dbraw/zinc/92/52/97/1073925297.db2.gz FZVFHPURVVFDLB-UHFFFAOYSA-N 2 1 383.493 -1.866 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1=O ZINC000652505343 1073925288 /nfs/dbraw/zinc/92/52/88/1073925288.db2.gz FZVFHPURVVFDLB-UHFFFAOYSA-N 2 1 383.493 -1.866 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H](C)[N@@H+]1CCO ZINC000652505379 1075866488 /nfs/dbraw/zinc/86/64/88/1075866488.db2.gz JSYLHPOJVVJONM-GASCZTMLSA-N 2 1 383.493 -1.868 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H](C)[N@H+]1CCO ZINC000652505379 1075866482 /nfs/dbraw/zinc/86/64/82/1075866482.db2.gz JSYLHPOJVVJONM-GASCZTMLSA-N 2 1 383.493 -1.868 20 0 GAADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000652622543 1075868672 /nfs/dbraw/zinc/86/86/72/1075868672.db2.gz NLFVEMBFCYEQPG-HNNXBMFYSA-N 2 1 391.476 -1.194 20 0 GAADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000652622544 1075868876 /nfs/dbraw/zinc/86/88/76/1075868876.db2.gz NLFVEMBFCYEQPG-OAHLLOKOSA-N 2 1 391.476 -1.194 20 0 GAADMP CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000652664959 1073940758 /nfs/dbraw/zinc/94/07/58/1073940758.db2.gz XYOGITGBTPWMRL-UKRRQHHQSA-N 2 1 383.493 -1.523 20 0 GAADMP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H]1C[NH3+] ZINC000652681735 1073949996 /nfs/dbraw/zinc/94/99/96/1073949996.db2.gz SHNBHBXGJCRDCF-RBSFLKMASA-N 2 1 383.493 -1.488 20 0 GAADMP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H]1C[NH3+] ZINC000652681736 1075869191 /nfs/dbraw/zinc/86/91/91/1075869191.db2.gz SHNBHBXGJCRDCF-RRFJBIMHSA-N 2 1 383.493 -1.488 20 0 GAADMP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652684240 1073951856 /nfs/dbraw/zinc/95/18/56/1073951856.db2.gz IWEZASMAADEASV-BZUAXINKSA-N 2 1 397.520 -1.133 20 0 GAADMP CCO[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C[NH3+] ZINC000652684241 1073951781 /nfs/dbraw/zinc/95/17/81/1073951781.db2.gz IWEZASMAADEASV-OWCLPIDISA-N 2 1 397.520 -1.133 20 0 GAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000652685625 1075869158 /nfs/dbraw/zinc/86/91/58/1075869158.db2.gz PTDRUSMXULHWEO-GDBMZVCRSA-N 2 1 397.520 -1.085 20 0 GAADMP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H]1C[NH3+] ZINC000652730292 1075870036 /nfs/dbraw/zinc/87/00/36/1075870036.db2.gz RKBSLCLRBTVIMP-HUUCEWRRSA-N 2 1 383.493 -1.569 20 0 GAADMP CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C[C@H]1C[NH3+] ZINC000652731017 1074074077 /nfs/dbraw/zinc/07/40/77/1074074077.db2.gz ZHJCVWKATJPBSF-BZUAXINKSA-N 2 1 395.504 -1.426 20 0 GAADMP CCO[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C[C@H]1C[NH3+] ZINC000652731018 1074074521 /nfs/dbraw/zinc/07/45/21/1074074521.db2.gz ZHJCVWKATJPBSF-OWCLPIDISA-N 2 1 395.504 -1.426 20 0 GAADMP CC(CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652892574 1075871175 /nfs/dbraw/zinc/87/11/75/1075871175.db2.gz KJRBSNADVQETRI-QZTJIDSGSA-N 2 1 394.516 -1.043 20 0 GAADMP CC(CC(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652892574 1075871170 /nfs/dbraw/zinc/87/11/70/1075871170.db2.gz KJRBSNADVQETRI-QZTJIDSGSA-N 2 1 394.516 -1.043 20 0 GAADMP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000653150048 1075874348 /nfs/dbraw/zinc/87/43/48/1075874348.db2.gz PXYZNZYEULHTDE-JXFKEZNVSA-N 2 1 393.532 -1.081 20 0 GAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653357153 1074072481 /nfs/dbraw/zinc/07/24/81/1074072481.db2.gz IVHPMEVMCATCCT-INIZCTEOSA-N 2 1 397.520 -1.308 20 0 GAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000653357154 1075879097 /nfs/dbraw/zinc/87/90/97/1075879097.db2.gz IVHPMEVMCATCCT-MRXNPFEDSA-N 2 1 397.520 -1.308 20 0 GAADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000653365067 1075879386 /nfs/dbraw/zinc/87/93/86/1075879386.db2.gz JBFKNSCTUFRFNO-UHFFFAOYSA-N 2 1 396.536 -1.639 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1=O ZINC000653368285 1075879499 /nfs/dbraw/zinc/87/94/99/1075879499.db2.gz OQZRBCOHGPMWSI-UHFFFAOYSA-N 2 1 396.492 -2.501 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1=O ZINC000653371309 1075879368 /nfs/dbraw/zinc/87/93/68/1075879368.db2.gz HBIPIOVDSHCSEU-UHFFFAOYSA-N 2 1 396.536 -1.637 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000653372207 1075879761 /nfs/dbraw/zinc/87/97/61/1075879761.db2.gz BYWKGNYVSUQGIH-UHFFFAOYSA-N 2 1 396.492 -2.455 20 0 GAADMP C[C@@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CN1CC[NH+](C)CC1 ZINC000653376484 1075879725 /nfs/dbraw/zinc/87/97/25/1075879725.db2.gz BWTLYZXRCCPINW-INIZCTEOSA-N 2 1 396.536 -1.782 20 0 GAADMP C[C@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)CN1CC[NH+](C)CC1 ZINC000653376485 1075879653 /nfs/dbraw/zinc/87/96/53/1075879653.db2.gz BWTLYZXRCCPINW-MRXNPFEDSA-N 2 1 396.536 -1.782 20 0 GAADMP C[C@@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+]1CCOCC1 ZINC000653386413 1075880086 /nfs/dbraw/zinc/88/00/86/1075880086.db2.gz YQIXALYWXYIXKJ-HNNXBMFYSA-N 2 1 383.493 -1.697 20 0 GAADMP C[C@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+]1CCOCC1 ZINC000653386414 1075880062 /nfs/dbraw/zinc/88/00/62/1075880062.db2.gz YQIXALYWXYIXKJ-OAHLLOKOSA-N 2 1 383.493 -1.697 20 0 GAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653388926 1075879996 /nfs/dbraw/zinc/87/99/96/1075879996.db2.gz PGUIDWHANOIIKE-HNNXBMFYSA-N 2 1 383.493 -1.554 20 0 GAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653388927 1075880014 /nfs/dbraw/zinc/88/00/14/1075880014.db2.gz PGUIDWHANOIIKE-OAHLLOKOSA-N 2 1 383.493 -1.554 20 0 GAADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)n1C ZINC000653394439 1075880343 /nfs/dbraw/zinc/88/03/43/1075880343.db2.gz BEDAUZWFURQKAM-UHFFFAOYSA-N 2 1 379.465 -1.665 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1=O ZINC000653402494 1075880744 /nfs/dbraw/zinc/88/07/44/1075880744.db2.gz ZRWJSXTWGJXOSA-UHFFFAOYSA-N 2 1 396.536 -1.639 20 0 GAADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCCO1 ZINC000653417044 1074175788 /nfs/dbraw/zinc/17/57/88/1074175788.db2.gz MIQRAWVTCIEFDH-INIZCTEOSA-N 2 1 397.520 -1.164 20 0 GAADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCCO1 ZINC000653417045 1075880892 /nfs/dbraw/zinc/88/08/92/1075880892.db2.gz MIQRAWVTCIEFDH-MRXNPFEDSA-N 2 1 397.520 -1.164 20 0 GAADMP C[NH+]1C[C@H]2CN(C(=O)CS(=O)(=O)CC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000655035987 1073411117 /nfs/dbraw/zinc/41/11/17/1073411117.db2.gz OGRJRHBEXVSPEN-GEEKYZPCSA-N 2 1 398.529 -1.559 20 0 GAADMP CC(CC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655295901 1073426147 /nfs/dbraw/zinc/42/61/47/1073426147.db2.gz PMQPNHLLISDKTM-WNRNVDISSA-N 2 1 394.516 -1.043 20 0 GAADMP C[C@@H](C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@@H](C)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296215 1073426213 /nfs/dbraw/zinc/42/62/13/1073426213.db2.gz VHPQIEIQMWTBHC-GVLSGGHMSA-N 2 1 394.516 -1.187 20 0 GAADMP C[C@H](C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H](C)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296216 1073508266 /nfs/dbraw/zinc/50/82/66/1073508266.db2.gz VHPQIEIQMWTBHC-UXJCHEOYSA-N 2 1 394.516 -1.187 20 0 GAADMP C[C@@H](C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H](C)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296217 1073426051 /nfs/dbraw/zinc/42/60/51/1073426051.db2.gz VHPQIEIQMWTBHC-YPLQCARHSA-N 2 1 394.516 -1.187 20 0 GAADMP C[C@@H](C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)[C@H](C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296217 1073426043 /nfs/dbraw/zinc/42/60/43/1073426043.db2.gz VHPQIEIQMWTBHC-YPLQCARHSA-N 2 1 394.516 -1.187 20 0 GAADMP C[C@@H](C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H](C)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000655296217 1073426038 /nfs/dbraw/zinc/42/60/38/1073426038.db2.gz VHPQIEIQMWTBHC-YPLQCARHSA-N 2 1 394.516 -1.187 20 0 GAADMP O=C(N1CC[NH+]2C[C@H](O)C[C@H]2C1)C1(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCC1 ZINC000655296779 1073426709 /nfs/dbraw/zinc/42/67/09/1073426709.db2.gz VPHOEDNDMNTCIV-MWDXBVQZSA-N 2 1 392.500 -1.289 20 0 GAADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297966 1073426917 /nfs/dbraw/zinc/42/69/17/1073426917.db2.gz YRAKCHQIFKRPPD-BBWFWOEESA-N 2 1 380.489 -1.023 20 0 GAADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297966 1073426908 /nfs/dbraw/zinc/42/69/08/1073426908.db2.gz YRAKCHQIFKRPPD-BBWFWOEESA-N 2 1 380.489 -1.023 20 0 GAADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297969 1073426959 /nfs/dbraw/zinc/42/69/59/1073426959.db2.gz YRAKCHQIFKRPPD-GVDBMIGSSA-N 2 1 380.489 -1.023 20 0 GAADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655297969 1073426952 /nfs/dbraw/zinc/42/69/52/1073426952.db2.gz YRAKCHQIFKRPPD-GVDBMIGSSA-N 2 1 380.489 -1.023 20 0 GAADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025273 1073507554 /nfs/dbraw/zinc/50/75/54/1073507554.db2.gz FJZLMLQZCQNJBL-XQQFMLRXSA-N 2 1 393.410 -1.784 20 0 GAADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656025274 1073507394 /nfs/dbraw/zinc/50/73/94/1073507394.db2.gz FJZLMLQZCQNJBL-YNEHKIRRSA-N 2 1 393.410 -1.784 20 0 GAADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000656039762 1073510617 /nfs/dbraw/zinc/51/06/17/1073510617.db2.gz FVQIYAHWUSQDCZ-BETUJISGSA-N 2 1 387.506 -2.111 20 0 GAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000656063751 1073514052 /nfs/dbraw/zinc/51/40/52/1073514052.db2.gz FUIARQJIVSZLNU-DLBZAZTESA-N 2 1 380.489 -1.165 20 0 GAADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656065601 1074790179 /nfs/dbraw/zinc/79/01/79/1074790179.db2.gz GKHVPBNZWQIBBG-DLBZAZTESA-N 2 1 381.521 -1.252 20 0 GAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656069679 1073514839 /nfs/dbraw/zinc/51/48/39/1073514839.db2.gz LEHMVDNSXRLYIN-JKSUJKDBSA-N 2 1 395.504 -1.724 20 0 GAADMP CN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656069905 1073515000 /nfs/dbraw/zinc/51/50/00/1073515000.db2.gz SLKSELDXTMVANO-FGTMMUONSA-N 2 1 393.532 -1.109 20 0 GAADMP CN(C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656069906 1073514954 /nfs/dbraw/zinc/51/49/54/1073514954.db2.gz SLKSELDXTMVANO-OKZBNKHCSA-N 2 1 393.532 -1.109 20 0 GAADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656070002 1073514742 /nfs/dbraw/zinc/51/47/42/1073514742.db2.gz WEAFQHRVEMVQFA-JKSUJKDBSA-N 2 1 393.488 -1.970 20 0 GAADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656070427 1073515148 /nfs/dbraw/zinc/51/51/48/1073515148.db2.gz BCZCMVJTRDPRFW-FGTMMUONSA-N 2 1 393.532 -1.108 20 0 GAADMP C[NH+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656070427 1073515136 /nfs/dbraw/zinc/51/51/36/1073515136.db2.gz BCZCMVJTRDPRFW-FGTMMUONSA-N 2 1 393.532 -1.108 20 0 GAADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656070427 1073515124 /nfs/dbraw/zinc/51/51/24/1073515124.db2.gz BCZCMVJTRDPRFW-FGTMMUONSA-N 2 1 393.532 -1.108 20 0 GAADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656070429 1073515917 /nfs/dbraw/zinc/51/59/17/1073515917.db2.gz BCZCMVJTRDPRFW-OKZBNKHCSA-N 2 1 393.532 -1.108 20 0 GAADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656070429 1073515907 /nfs/dbraw/zinc/51/59/07/1073515907.db2.gz BCZCMVJTRDPRFW-OKZBNKHCSA-N 2 1 393.532 -1.108 20 0 GAADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656070429 1073515895 /nfs/dbraw/zinc/51/58/95/1073515895.db2.gz BCZCMVJTRDPRFW-OKZBNKHCSA-N 2 1 393.532 -1.108 20 0 GAADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)C1 ZINC000656072068 1073515843 /nfs/dbraw/zinc/51/58/43/1073515843.db2.gz ZUSRGGDALKUGPW-IXDOHACOSA-N 2 1 379.505 -1.498 20 0 GAADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)C1 ZINC000656072068 1073515832 /nfs/dbraw/zinc/51/58/32/1073515832.db2.gz ZUSRGGDALKUGPW-IXDOHACOSA-N 2 1 379.505 -1.498 20 0 GAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC2)C1 ZINC000656072068 1073515826 /nfs/dbraw/zinc/51/58/26/1073515826.db2.gz ZUSRGGDALKUGPW-IXDOHACOSA-N 2 1 379.505 -1.498 20 0 GAADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)C1 ZINC000656072075 1073515631 /nfs/dbraw/zinc/51/56/31/1073515631.db2.gz ZUSRGGDALKUGPW-YESZJQIVSA-N 2 1 379.505 -1.498 20 0 GAADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)C1 ZINC000656072075 1073515618 /nfs/dbraw/zinc/51/56/18/1073515618.db2.gz ZUSRGGDALKUGPW-YESZJQIVSA-N 2 1 379.505 -1.498 20 0 GAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)CC2)C1 ZINC000656072075 1073515607 /nfs/dbraw/zinc/51/56/07/1073515607.db2.gz ZUSRGGDALKUGPW-YESZJQIVSA-N 2 1 379.505 -1.498 20 0 GAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000656072641 1073515549 /nfs/dbraw/zinc/51/55/49/1073515549.db2.gz UJXFSNWUYOKRAC-DLBZAZTESA-N 2 1 380.489 -1.165 20 0 GAADMP O=C(C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656075525 1074790041 /nfs/dbraw/zinc/79/00/41/1074790041.db2.gz MWGSRWIFSHZHPZ-IXDOHACOSA-N 2 1 380.489 -1.165 20 0 GAADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656075968 1073516331 /nfs/dbraw/zinc/51/63/31/1073516331.db2.gz BWDASNDPNXGHJB-BHYGNILZSA-N 2 1 380.489 -1.025 20 0 GAADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656075968 1073516321 /nfs/dbraw/zinc/51/63/21/1073516321.db2.gz BWDASNDPNXGHJB-BHYGNILZSA-N 2 1 380.489 -1.025 20 0 GAADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656075968 1073516309 /nfs/dbraw/zinc/51/63/09/1073516309.db2.gz BWDASNDPNXGHJB-BHYGNILZSA-N 2 1 380.489 -1.025 20 0 GAADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656075969 1073516640 /nfs/dbraw/zinc/51/66/40/1073516640.db2.gz BWDASNDPNXGHJB-HYVNUMGLSA-N 2 1 380.489 -1.025 20 0 GAADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656075969 1073516635 /nfs/dbraw/zinc/51/66/35/1073516635.db2.gz BWDASNDPNXGHJB-HYVNUMGLSA-N 2 1 380.489 -1.025 20 0 GAADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656075969 1073516618 /nfs/dbraw/zinc/51/66/18/1073516618.db2.gz BWDASNDPNXGHJB-HYVNUMGLSA-N 2 1 380.489 -1.025 20 0 GAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656081246 1073518802 /nfs/dbraw/zinc/51/88/02/1073518802.db2.gz QUFPOPSTMAVJBI-ARFHVFGLSA-N 2 1 393.488 -1.971 20 0 GAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656081246 1073518796 /nfs/dbraw/zinc/51/87/96/1073518796.db2.gz QUFPOPSTMAVJBI-ARFHVFGLSA-N 2 1 393.488 -1.971 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656081246 1073518793 /nfs/dbraw/zinc/51/87/93/1073518793.db2.gz QUFPOPSTMAVJBI-ARFHVFGLSA-N 2 1 393.488 -1.971 20 0 GAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656081252 1073518699 /nfs/dbraw/zinc/51/86/99/1073518699.db2.gz QUFPOPSTMAVJBI-XHSDSOJGSA-N 2 1 393.488 -1.971 20 0 GAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656081252 1073518687 /nfs/dbraw/zinc/51/86/87/1073518687.db2.gz QUFPOPSTMAVJBI-XHSDSOJGSA-N 2 1 393.488 -1.971 20 0 GAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656081252 1073518679 /nfs/dbraw/zinc/51/86/79/1073518679.db2.gz QUFPOPSTMAVJBI-XHSDSOJGSA-N 2 1 393.488 -1.971 20 0 GAADMP O=C(C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656083677 1073519309 /nfs/dbraw/zinc/51/93/09/1073519309.db2.gz MWGSRWIFSHZHPZ-YESZJQIVSA-N 2 1 380.489 -1.165 20 0 GAADMP O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104156 1073520669 /nfs/dbraw/zinc/52/06/69/1073520669.db2.gz ISWWDINQRWAEPG-HRCADAONSA-N 2 1 393.488 -2.066 20 0 GAADMP O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104157 1073520729 /nfs/dbraw/zinc/52/07/29/1073520729.db2.gz ISWWDINQRWAEPG-OWCLPIDISA-N 2 1 393.488 -2.066 20 0 GAADMP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104830 1073521298 /nfs/dbraw/zinc/52/12/98/1073521298.db2.gz VWBPCTISOAHYJT-QLFBSQMISA-N 2 1 381.477 -1.890 20 0 GAADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104836 1073521194 /nfs/dbraw/zinc/52/11/94/1073521194.db2.gz VWBPCTISOAHYJT-SOUVJXGZSA-N 2 1 381.477 -1.890 20 0 GAADMP COc1cnc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc1N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656219187 1073534118 /nfs/dbraw/zinc/53/41/18/1073534118.db2.gz NDKHFNNHCLVWEJ-CAOSSQGBSA-N 2 1 390.488 -1.004 20 0 GAADMP COc1cnc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc1N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656219187 1073534109 /nfs/dbraw/zinc/53/41/09/1073534109.db2.gz NDKHFNNHCLVWEJ-CAOSSQGBSA-N 2 1 390.488 -1.004 20 0 GAADMP COc1cnc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)nc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656219187 1073534103 /nfs/dbraw/zinc/53/41/03/1073534103.db2.gz NDKHFNNHCLVWEJ-CAOSSQGBSA-N 2 1 390.488 -1.004 20 0 GAADMP COc1nc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000656219235 1073534011 /nfs/dbraw/zinc/53/40/11/1073534011.db2.gz QWMZMEZGMWKTTO-BYNSBNAKSA-N 2 1 391.476 -1.609 20 0 GAADMP CNc1nc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000656219448 1073533944 /nfs/dbraw/zinc/53/39/44/1073533944.db2.gz XTRPJBPISVHVGF-BYNSBNAKSA-N 2 1 390.492 -2.154 20 0 GAADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656301119 1073541972 /nfs/dbraw/zinc/54/19/72/1073541972.db2.gz YGHOIOAPTRJFTE-IXDOHACOSA-N 2 1 381.521 -1.346 20 0 GAADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656301122 1073542106 /nfs/dbraw/zinc/54/21/06/1073542106.db2.gz YGHOIOAPTRJFTE-YESZJQIVSA-N 2 1 381.521 -1.346 20 0 GAADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656307153 1074794950 /nfs/dbraw/zinc/79/49/50/1074794950.db2.gz MMNHGSOASCYUAW-QLFBSQMISA-N 2 1 381.477 -2.033 20 0 GAADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656307153 1074794945 /nfs/dbraw/zinc/79/49/45/1074794945.db2.gz MMNHGSOASCYUAW-QLFBSQMISA-N 2 1 381.477 -2.033 20 0 GAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656307153 1074794937 /nfs/dbraw/zinc/79/49/37/1074794937.db2.gz MMNHGSOASCYUAW-QLFBSQMISA-N 2 1 381.477 -2.033 20 0 GAADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656307156 1073542155 /nfs/dbraw/zinc/54/21/55/1073542155.db2.gz MMNHGSOASCYUAW-SOUVJXGZSA-N 2 1 381.477 -2.033 20 0 GAADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656307156 1073542146 /nfs/dbraw/zinc/54/21/46/1073542146.db2.gz MMNHGSOASCYUAW-SOUVJXGZSA-N 2 1 381.477 -2.033 20 0 GAADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000656307156 1073542140 /nfs/dbraw/zinc/54/21/40/1073542140.db2.gz MMNHGSOASCYUAW-SOUVJXGZSA-N 2 1 381.477 -2.033 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656308969 1073542969 /nfs/dbraw/zinc/54/29/69/1073542969.db2.gz JSBOCNMPPPPMPL-ARFHVFGLSA-N 2 1 395.504 -1.677 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656308969 1073542961 /nfs/dbraw/zinc/54/29/61/1073542961.db2.gz JSBOCNMPPPPMPL-ARFHVFGLSA-N 2 1 395.504 -1.677 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656308969 1073542952 /nfs/dbraw/zinc/54/29/52/1073542952.db2.gz JSBOCNMPPPPMPL-ARFHVFGLSA-N 2 1 395.504 -1.677 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656308970 1073542638 /nfs/dbraw/zinc/54/26/38/1073542638.db2.gz JSBOCNMPPPPMPL-XHSDSOJGSA-N 2 1 395.504 -1.677 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656308970 1073542628 /nfs/dbraw/zinc/54/26/28/1073542628.db2.gz JSBOCNMPPPPMPL-XHSDSOJGSA-N 2 1 395.504 -1.677 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656308970 1073542619 /nfs/dbraw/zinc/54/26/19/1073542619.db2.gz JSBOCNMPPPPMPL-XHSDSOJGSA-N 2 1 395.504 -1.677 20 0 GAADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000656316696 1073544160 /nfs/dbraw/zinc/54/41/60/1073544160.db2.gz TUQFVTZXIMSNDG-BHYGNILZSA-N 2 1 379.505 -1.452 20 0 GAADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)CC1 ZINC000656316698 1073544327 /nfs/dbraw/zinc/54/43/27/1073544327.db2.gz TUQFVTZXIMSNDG-HYVNUMGLSA-N 2 1 379.505 -1.452 20 0 GAADMP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccn1 ZINC000656328885 1073545570 /nfs/dbraw/zinc/54/55/70/1073545570.db2.gz WURZITYSKMYWDO-JKSUJKDBSA-N 2 1 391.472 -1.084 20 0 GAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658529934 1073690539 /nfs/dbraw/zinc/69/05/39/1073690539.db2.gz RQHXVVOSKNPYKU-INIZCTEOSA-N 2 1 382.505 -1.041 20 0 GAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000658529934 1073690537 /nfs/dbraw/zinc/69/05/37/1073690537.db2.gz RQHXVVOSKNPYKU-INIZCTEOSA-N 2 1 382.505 -1.041 20 0 GAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658529935 1073690489 /nfs/dbraw/zinc/69/04/89/1073690489.db2.gz RQHXVVOSKNPYKU-MRXNPFEDSA-N 2 1 382.505 -1.041 20 0 GAADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000658529935 1073690486 /nfs/dbraw/zinc/69/04/86/1073690486.db2.gz RQHXVVOSKNPYKU-MRXNPFEDSA-N 2 1 382.505 -1.041 20 0 GAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000658536050 1073691799 /nfs/dbraw/zinc/69/17/99/1073691799.db2.gz MDVGKNYIOCCKBH-KRWDZBQOSA-N 3 1 383.537 -1.004 20 0 GAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000658536073 1073691716 /nfs/dbraw/zinc/69/17/16/1073691716.db2.gz MDVGKNYIOCCKBH-QGZVFWFLSA-N 3 1 383.537 -1.004 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1=O ZINC000658776107 1073733967 /nfs/dbraw/zinc/73/39/67/1073733967.db2.gz RPWYINNBUPATSB-INIZCTEOSA-N 2 1 395.504 -1.724 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1=O ZINC000658776108 1073733768 /nfs/dbraw/zinc/73/37/68/1073733768.db2.gz RPWYINNBUPATSB-MRXNPFEDSA-N 2 1 395.504 -1.724 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)C[C@H](C)[NH+]1CCO ZINC000658903342 1073769577 /nfs/dbraw/zinc/76/95/77/1073769577.db2.gz LXILSQQXANHXRO-HLLBOEOZSA-N 2 1 382.505 -1.043 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C[C@H](C)[NH+]1CCO ZINC000658903342 1073769571 /nfs/dbraw/zinc/76/95/71/1073769571.db2.gz LXILSQQXANHXRO-HLLBOEOZSA-N 2 1 382.505 -1.043 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000658903342 1073769568 /nfs/dbraw/zinc/76/95/68/1073769568.db2.gz LXILSQQXANHXRO-HLLBOEOZSA-N 2 1 382.505 -1.043 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C[C@H](C)[N@H+]1CCO ZINC000658903342 1073769562 /nfs/dbraw/zinc/76/95/62/1073769562.db2.gz LXILSQQXANHXRO-HLLBOEOZSA-N 2 1 382.505 -1.043 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)C[C@H](C)[NH+]1CCO ZINC000658903344 1073769652 /nfs/dbraw/zinc/76/96/52/1073769652.db2.gz LXILSQQXANHXRO-UXLLHSPISA-N 2 1 382.505 -1.043 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)C[C@H](C)[NH+]1CCO ZINC000658903344 1073769648 /nfs/dbraw/zinc/76/96/48/1073769648.db2.gz LXILSQQXANHXRO-UXLLHSPISA-N 2 1 382.505 -1.043 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000658903344 1073769641 /nfs/dbraw/zinc/76/96/41/1073769641.db2.gz LXILSQQXANHXRO-UXLLHSPISA-N 2 1 382.505 -1.043 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C[C@H](C)[N@H+]1CCO ZINC000658903344 1073769636 /nfs/dbraw/zinc/76/96/36/1073769636.db2.gz LXILSQQXANHXRO-UXLLHSPISA-N 2 1 382.505 -1.043 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC[NH+]1CCO ZINC000658903360 1073769725 /nfs/dbraw/zinc/76/97/25/1073769725.db2.gz MCHAVLZAJZQTKH-INIZCTEOSA-N 2 1 382.505 -1.041 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC[NH+]1CCO ZINC000658903360 1073769721 /nfs/dbraw/zinc/76/97/21/1073769721.db2.gz MCHAVLZAJZQTKH-INIZCTEOSA-N 2 1 382.505 -1.041 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@H+]1CCO ZINC000658903360 1073769719 /nfs/dbraw/zinc/76/97/19/1073769719.db2.gz MCHAVLZAJZQTKH-INIZCTEOSA-N 2 1 382.505 -1.041 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)CC[N@@H+]1CCO ZINC000658903360 1073769713 /nfs/dbraw/zinc/76/97/13/1073769713.db2.gz MCHAVLZAJZQTKH-INIZCTEOSA-N 2 1 382.505 -1.041 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1CCO ZINC000658903363 1073769617 /nfs/dbraw/zinc/76/96/17/1073769617.db2.gz MCHAVLZAJZQTKH-MRXNPFEDSA-N 2 1 382.505 -1.041 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC[NH+]1CCO ZINC000658903363 1073769611 /nfs/dbraw/zinc/76/96/11/1073769611.db2.gz MCHAVLZAJZQTKH-MRXNPFEDSA-N 2 1 382.505 -1.041 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@H+]1CCO ZINC000658903363 1073769607 /nfs/dbraw/zinc/76/96/07/1073769607.db2.gz MCHAVLZAJZQTKH-MRXNPFEDSA-N 2 1 382.505 -1.041 20 0 GAADMP CC1(C)CN(C(=O)C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)CC[N@@H+]1CCO ZINC000658903363 1073769603 /nfs/dbraw/zinc/76/96/03/1073769603.db2.gz MCHAVLZAJZQTKH-MRXNPFEDSA-N 2 1 382.505 -1.041 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)C[C@@H]21 ZINC000659324703 1073797016 /nfs/dbraw/zinc/79/70/16/1073797016.db2.gz MYJBFQFURHNTIC-CVEARBPZSA-N 2 1 377.489 -1.085 20 0 GAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n1 ZINC000659629711 1073800490 /nfs/dbraw/zinc/80/04/90/1073800490.db2.gz ZXJQICZQHBOLOB-UHFFFAOYSA-N 2 1 385.450 -2.230 20 0 GAADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659680031 1073803488 /nfs/dbraw/zinc/80/34/88/1073803488.db2.gz JKEMZSSUIBIDGG-CYBMUJFWSA-N 2 1 380.449 -1.270 20 0 GAADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659680032 1073804180 /nfs/dbraw/zinc/80/41/80/1073804180.db2.gz JKEMZSSUIBIDGG-ZDUSSCGKSA-N 2 1 380.449 -1.270 20 0 GAADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659687546 1073804148 /nfs/dbraw/zinc/80/41/48/1073804148.db2.gz MACZPQVWWOLDKT-UHFFFAOYSA-N 2 1 387.488 -1.027 20 0 GAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000659710965 1073805434 /nfs/dbraw/zinc/80/54/34/1073805434.db2.gz UQKNUZOHTGWTOJ-HZPDHXFCSA-N 2 1 379.505 -1.233 20 0 GAADMP O=C(CNC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[NH2+]CC1 ZINC000659716326 1073804872 /nfs/dbraw/zinc/80/48/72/1073804872.db2.gz ZBCMQGNSNRKZAA-HUUCEWRRSA-N 2 1 393.488 -1.706 20 0 GAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659738450 1073806934 /nfs/dbraw/zinc/80/69/34/1073806934.db2.gz DUNSWJVDFARCSR-CYBMUJFWSA-N 2 1 387.506 -1.967 20 0 GAADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659738450 1073806927 /nfs/dbraw/zinc/80/69/27/1073806927.db2.gz DUNSWJVDFARCSR-CYBMUJFWSA-N 2 1 387.506 -1.967 20 0 GAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659738454 1073806833 /nfs/dbraw/zinc/80/68/33/1073806833.db2.gz DUNSWJVDFARCSR-ZDUSSCGKSA-N 2 1 387.506 -1.967 20 0 GAADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1 ZINC000659738454 1073806819 /nfs/dbraw/zinc/80/68/19/1073806819.db2.gz DUNSWJVDFARCSR-ZDUSSCGKSA-N 2 1 387.506 -1.967 20 0 GAADMP CN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)[C@@H](C[NH3+])C1 ZINC000659738531 1073806700 /nfs/dbraw/zinc/80/67/00/1073806700.db2.gz FKCYAAKEUFMARS-ARFHVFGLSA-N 2 1 379.505 -1.153 20 0 GAADMP CN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)[C@H](C[NH3+])C1 ZINC000659738533 1073806511 /nfs/dbraw/zinc/80/65/11/1073806511.db2.gz FKCYAAKEUFMARS-BZUAXINKSA-N 2 1 379.505 -1.153 20 0 GAADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000659745746 1073808212 /nfs/dbraw/zinc/80/82/12/1073808212.db2.gz VXKJNKQVKJYJJZ-UHFFFAOYSA-N 2 1 377.489 -1.133 20 0 GAADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659748694 1073808584 /nfs/dbraw/zinc/80/85/84/1073808584.db2.gz ZZIGGHXDOBDUMB-UHFFFAOYSA-N 2 1 380.449 -1.174 20 0 GAADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748843 1073809030 /nfs/dbraw/zinc/80/90/30/1073809030.db2.gz MXMBCMFGVASYML-LLVKDONJSA-N 2 1 380.449 -1.439 20 0 GAADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748843 1073809016 /nfs/dbraw/zinc/80/90/16/1073809016.db2.gz MXMBCMFGVASYML-LLVKDONJSA-N 2 1 380.449 -1.439 20 0 GAADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748844 1073808792 /nfs/dbraw/zinc/80/87/92/1073808792.db2.gz MXMBCMFGVASYML-NSHDSACASA-N 2 1 380.449 -1.439 20 0 GAADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659748844 1073808777 /nfs/dbraw/zinc/80/87/77/1073808777.db2.gz MXMBCMFGVASYML-NSHDSACASA-N 2 1 380.449 -1.439 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1CC(C)(C)O ZINC000659749100 1073808932 /nfs/dbraw/zinc/80/89/32/1073808932.db2.gz RUISCUXJCVOUQS-LLVKDONJSA-N 2 1 380.449 -1.439 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000659749100 1073808916 /nfs/dbraw/zinc/80/89/16/1073808916.db2.gz RUISCUXJCVOUQS-LLVKDONJSA-N 2 1 380.449 -1.439 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1CC(C)(C)O ZINC000659749101 1073809077 /nfs/dbraw/zinc/80/90/77/1073809077.db2.gz RUISCUXJCVOUQS-NSHDSACASA-N 2 1 380.449 -1.439 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000659749101 1073809067 /nfs/dbraw/zinc/80/90/67/1073809067.db2.gz RUISCUXJCVOUQS-NSHDSACASA-N 2 1 380.449 -1.439 20 0 GAADMP C[NH+]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)C[C@H]21 ZINC000660993977 1073898646 /nfs/dbraw/zinc/89/86/46/1073898646.db2.gz RCSTXLWDABEFRC-ARFHVFGLSA-N 2 1 377.489 -1.086 20 0 GAADMP C[NH+]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)C[C@H]21 ZINC000660993977 1073898640 /nfs/dbraw/zinc/89/86/40/1073898640.db2.gz RCSTXLWDABEFRC-ARFHVFGLSA-N 2 1 377.489 -1.086 20 0 GAADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000660993977 1073898636 /nfs/dbraw/zinc/89/86/36/1073898636.db2.gz RCSTXLWDABEFRC-ARFHVFGLSA-N 2 1 377.489 -1.086 20 0 GAADMP C[NH+]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)C[C@H]21 ZINC000660993978 1073898417 /nfs/dbraw/zinc/89/84/17/1073898417.db2.gz RCSTXLWDABEFRC-HRCADAONSA-N 2 1 377.489 -1.086 20 0 GAADMP C[NH+]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)C[C@H]21 ZINC000660993978 1073898410 /nfs/dbraw/zinc/89/84/10/1073898410.db2.gz RCSTXLWDABEFRC-HRCADAONSA-N 2 1 377.489 -1.086 20 0 GAADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000660993978 1073898406 /nfs/dbraw/zinc/89/84/06/1073898406.db2.gz RCSTXLWDABEFRC-HRCADAONSA-N 2 1 377.489 -1.086 20 0 GAADMP O=C(C[NH+]1CC[C@@]2(O)C[C@H]2C1)N1CCN(C(=O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)CC1 ZINC000661713925 1073914855 /nfs/dbraw/zinc/91/48/55/1073914855.db2.gz WGZSTBFATXKPDT-XAMWDVODSA-N 2 1 392.500 -1.429 20 0 GAADMP O=C(C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCNC(=O)C1 ZINC000662334730 1073932006 /nfs/dbraw/zinc/93/20/06/1073932006.db2.gz CNCOUFLAILIYHH-AWEZNQCLSA-N 2 1 375.477 -1.043 20 0 GAADMP O=C(C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCNC(=O)C1 ZINC000662334730 1073931999 /nfs/dbraw/zinc/93/19/99/1073931999.db2.gz CNCOUFLAILIYHH-AWEZNQCLSA-N 2 1 375.477 -1.043 20 0 GAADMP O=C(C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCNC(=O)C1 ZINC000662334731 1073931890 /nfs/dbraw/zinc/93/18/90/1073931890.db2.gz CNCOUFLAILIYHH-CQSZACIVSA-N 2 1 375.477 -1.043 20 0 GAADMP O=C(C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCNC(=O)C1 ZINC000662334731 1073931882 /nfs/dbraw/zinc/93/18/82/1073931882.db2.gz CNCOUFLAILIYHH-CQSZACIVSA-N 2 1 375.477 -1.043 20 0 GAADMP O=C(c1cnnn1C1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662576838 1073933967 /nfs/dbraw/zinc/93/39/67/1073933967.db2.gz BYHMVSZIGCDWOY-UHFFFAOYSA-N 2 1 383.478 -1.738 20 0 GAADMP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662816937 1073903346 /nfs/dbraw/zinc/90/33/46/1073903346.db2.gz RCOXBNYXOWZCMF-CYBMUJFWSA-N 2 1 397.505 -1.348 20 0 GAADMP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000662816939 1073903176 /nfs/dbraw/zinc/90/31/76/1073903176.db2.gz RCOXBNYXOWZCMF-ZDUSSCGKSA-N 2 1 397.505 -1.348 20 0 GAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000662946122 1073914639 /nfs/dbraw/zinc/91/46/39/1073914639.db2.gz OAWNPUZWSVIXRQ-AWEZNQCLSA-N 2 1 392.460 -1.030 20 0 GAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000662946124 1073914743 /nfs/dbraw/zinc/91/47/43/1073914743.db2.gz OAWNPUZWSVIXRQ-CQSZACIVSA-N 2 1 392.460 -1.030 20 0 GAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000665639256 1074234673 /nfs/dbraw/zinc/23/46/73/1074234673.db2.gz SDBCMCIJDGRXRZ-HNNXBMFYSA-N 2 1 395.512 -1.201 20 0 GAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000665639256 1074234669 /nfs/dbraw/zinc/23/46/69/1074234669.db2.gz SDBCMCIJDGRXRZ-HNNXBMFYSA-N 2 1 395.512 -1.201 20 0 GAADMP C[NH+](C)CCn1cc(NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000667156090 1074365616 /nfs/dbraw/zinc/36/56/16/1074365616.db2.gz UPXQWELIMQDOSQ-UHFFFAOYSA-N 2 1 385.494 -1.104 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668490683 1074457477 /nfs/dbraw/zinc/45/74/77/1074457477.db2.gz VKNBYPLAEKJFPI-INIZCTEOSA-N 2 1 395.504 -1.676 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668490683 1074457469 /nfs/dbraw/zinc/45/74/69/1074457469.db2.gz VKNBYPLAEKJFPI-INIZCTEOSA-N 2 1 395.504 -1.676 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668490690 1074458103 /nfs/dbraw/zinc/45/81/03/1074458103.db2.gz VKNBYPLAEKJFPI-MRXNPFEDSA-N 2 1 395.504 -1.676 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668490690 1074458100 /nfs/dbraw/zinc/45/81/00/1074458100.db2.gz VKNBYPLAEKJFPI-MRXNPFEDSA-N 2 1 395.504 -1.676 20 0 GAADMP C[NH+](C)CCC[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000668491225 1074457447 /nfs/dbraw/zinc/45/74/47/1074457447.db2.gz FNTNFZCQGIRGNE-INIZCTEOSA-N 2 1 397.520 -1.164 20 0 GAADMP C[NH+](C)CCC[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000668491226 1074457556 /nfs/dbraw/zinc/45/75/56/1074457556.db2.gz FNTNFZCQGIRGNE-MRXNPFEDSA-N 2 1 397.520 -1.164 20 0 GAADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000669473211 1074531451 /nfs/dbraw/zinc/53/14/51/1074531451.db2.gz PLJVYVKBRSYLHU-AWEZNQCLSA-N 2 1 389.522 -1.274 20 0 GAADMP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000669473211 1074531448 /nfs/dbraw/zinc/53/14/48/1074531448.db2.gz PLJVYVKBRSYLHU-AWEZNQCLSA-N 2 1 389.522 -1.274 20 0 GAADMP COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000669473212 1074531415 /nfs/dbraw/zinc/53/14/15/1074531415.db2.gz PLJVYVKBRSYLHU-CQSZACIVSA-N 2 1 389.522 -1.274 20 0 GAADMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000669473212 1074531409 /nfs/dbraw/zinc/53/14/09/1074531409.db2.gz PLJVYVKBRSYLHU-CQSZACIVSA-N 2 1 389.522 -1.274 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671981620 1074781777 /nfs/dbraw/zinc/78/17/77/1074781777.db2.gz BGULCSFBRXQRNH-KKUMJFAQSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671981620 1074781771 /nfs/dbraw/zinc/78/17/71/1074781771.db2.gz BGULCSFBRXQRNH-KKUMJFAQSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671981620 1074781764 /nfs/dbraw/zinc/78/17/64/1074781764.db2.gz BGULCSFBRXQRNH-KKUMJFAQSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671981620 1074781757 /nfs/dbraw/zinc/78/17/57/1074781757.db2.gz BGULCSFBRXQRNH-KKUMJFAQSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671981621 1074781393 /nfs/dbraw/zinc/78/13/93/1074781393.db2.gz BGULCSFBRXQRNH-RRFJBIMHSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671981621 1074781388 /nfs/dbraw/zinc/78/13/88/1074781388.db2.gz BGULCSFBRXQRNH-RRFJBIMHSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1C[NH+](C)CCO1 ZINC000671981621 1074781382 /nfs/dbraw/zinc/78/13/82/1074781382.db2.gz BGULCSFBRXQRNH-RRFJBIMHSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1C[NH+](C)CCO1 ZINC000671981621 1074781373 /nfs/dbraw/zinc/78/13/73/1074781373.db2.gz BGULCSFBRXQRNH-RRFJBIMHSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000671981622 1074781818 /nfs/dbraw/zinc/78/18/18/1074781818.db2.gz BGULCSFBRXQRNH-SOUVJXGZSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[C@H]1C[N@H+](C)CCO1 ZINC000671981622 1074781809 /nfs/dbraw/zinc/78/18/09/1074781809.db2.gz BGULCSFBRXQRNH-SOUVJXGZSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1C[NH+](C)CCO1 ZINC000671981622 1074781803 /nfs/dbraw/zinc/78/18/03/1074781803.db2.gz BGULCSFBRXQRNH-SOUVJXGZSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1C[NH+](C)CCO1 ZINC000671981622 1074781795 /nfs/dbraw/zinc/78/17/95/1074781795.db2.gz BGULCSFBRXQRNH-SOUVJXGZSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000671981623 1074781621 /nfs/dbraw/zinc/78/16/21/1074781621.db2.gz BGULCSFBRXQRNH-ZNMIVQPWSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000671981623 1074781615 /nfs/dbraw/zinc/78/16/15/1074781615.db2.gz BGULCSFBRXQRNH-ZNMIVQPWSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671981623 1074781606 /nfs/dbraw/zinc/78/16/06/1074781606.db2.gz BGULCSFBRXQRNH-ZNMIVQPWSA-N 2 1 383.493 -1.475 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[NH+](C)CCO1 ZINC000671981623 1074781599 /nfs/dbraw/zinc/78/15/99/1074781599.db2.gz BGULCSFBRXQRNH-ZNMIVQPWSA-N 2 1 383.493 -1.475 20 0 GAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981766 1074781484 /nfs/dbraw/zinc/78/14/84/1074781484.db2.gz UTDUMTIKVNOHSG-CABCVRRESA-N 2 1 383.493 -1.473 20 0 GAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981766 1074781478 /nfs/dbraw/zinc/78/14/78/1074781478.db2.gz UTDUMTIKVNOHSG-CABCVRRESA-N 2 1 383.493 -1.473 20 0 GAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981766 1074781469 /nfs/dbraw/zinc/78/14/69/1074781469.db2.gz UTDUMTIKVNOHSG-CABCVRRESA-N 2 1 383.493 -1.473 20 0 GAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981767 1074781560 /nfs/dbraw/zinc/78/15/60/1074781560.db2.gz UTDUMTIKVNOHSG-GJZGRUSLSA-N 2 1 383.493 -1.473 20 0 GAADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981767 1074781554 /nfs/dbraw/zinc/78/15/54/1074781554.db2.gz UTDUMTIKVNOHSG-GJZGRUSLSA-N 2 1 383.493 -1.473 20 0 GAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981767 1074781545 /nfs/dbraw/zinc/78/15/45/1074781545.db2.gz UTDUMTIKVNOHSG-GJZGRUSLSA-N 2 1 383.493 -1.473 20 0 GAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981768 1074781441 /nfs/dbraw/zinc/78/14/41/1074781441.db2.gz UTDUMTIKVNOHSG-HUUCEWRRSA-N 2 1 383.493 -1.473 20 0 GAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981768 1074781432 /nfs/dbraw/zinc/78/14/32/1074781432.db2.gz UTDUMTIKVNOHSG-HUUCEWRRSA-N 2 1 383.493 -1.473 20 0 GAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981768 1074781425 /nfs/dbraw/zinc/78/14/25/1074781425.db2.gz UTDUMTIKVNOHSG-HUUCEWRRSA-N 2 1 383.493 -1.473 20 0 GAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981769 1074781651 /nfs/dbraw/zinc/78/16/51/1074781651.db2.gz UTDUMTIKVNOHSG-LSDHHAIUSA-N 2 1 383.493 -1.473 20 0 GAADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981769 1074781642 /nfs/dbraw/zinc/78/16/42/1074781642.db2.gz UTDUMTIKVNOHSG-LSDHHAIUSA-N 2 1 383.493 -1.473 20 0 GAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981769 1074781635 /nfs/dbraw/zinc/78/16/35/1074781635.db2.gz UTDUMTIKVNOHSG-LSDHHAIUSA-N 2 1 383.493 -1.473 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000672111664 1074791664 /nfs/dbraw/zinc/79/16/64/1074791664.db2.gz YEUDOFGVQKTXIB-ARFHVFGLSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000672111664 1074791660 /nfs/dbraw/zinc/79/16/60/1074791660.db2.gz YEUDOFGVQKTXIB-ARFHVFGLSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1C[NH+](C)CCO1 ZINC000672111664 1074791655 /nfs/dbraw/zinc/79/16/55/1074791655.db2.gz YEUDOFGVQKTXIB-ARFHVFGLSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1C[NH+](C)CCO1 ZINC000672111664 1074791650 /nfs/dbraw/zinc/79/16/50/1074791650.db2.gz YEUDOFGVQKTXIB-ARFHVFGLSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000672111665 1074791388 /nfs/dbraw/zinc/79/13/88/1074791388.db2.gz YEUDOFGVQKTXIB-HRCADAONSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000672111665 1074791382 /nfs/dbraw/zinc/79/13/82/1074791382.db2.gz YEUDOFGVQKTXIB-HRCADAONSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@H]1C[NH+](C)CCO1 ZINC000672111665 1074791376 /nfs/dbraw/zinc/79/13/76/1074791376.db2.gz YEUDOFGVQKTXIB-HRCADAONSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@H]1C[NH+](C)CCO1 ZINC000672111665 1074791370 /nfs/dbraw/zinc/79/13/70/1074791370.db2.gz YEUDOFGVQKTXIB-HRCADAONSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672111666 1074791472 /nfs/dbraw/zinc/79/14/72/1074791472.db2.gz YEUDOFGVQKTXIB-JYJNAYRXSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000672111666 1074791469 /nfs/dbraw/zinc/79/14/69/1074791469.db2.gz YEUDOFGVQKTXIB-JYJNAYRXSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000672111666 1074791466 /nfs/dbraw/zinc/79/14/66/1074791466.db2.gz YEUDOFGVQKTXIB-JYJNAYRXSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000672111666 1074791462 /nfs/dbraw/zinc/79/14/62/1074791462.db2.gz YEUDOFGVQKTXIB-JYJNAYRXSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000672111667 1074791582 /nfs/dbraw/zinc/79/15/82/1074791582.db2.gz YEUDOFGVQKTXIB-XHSDSOJGSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000672111667 1074791579 /nfs/dbraw/zinc/79/15/79/1074791579.db2.gz YEUDOFGVQKTXIB-XHSDSOJGSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000672111667 1074791577 /nfs/dbraw/zinc/79/15/77/1074791577.db2.gz YEUDOFGVQKTXIB-XHSDSOJGSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000672111667 1074791573 /nfs/dbraw/zinc/79/15/73/1074791573.db2.gz YEUDOFGVQKTXIB-XHSDSOJGSA-N 2 1 397.520 -1.119 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000672595975 1074798585 /nfs/dbraw/zinc/79/85/85/1074798585.db2.gz BREJQRLIZMOKBZ-CVEARBPZSA-N 2 1 394.520 -1.887 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000672595975 1074798581 /nfs/dbraw/zinc/79/85/81/1074798581.db2.gz BREJQRLIZMOKBZ-CVEARBPZSA-N 2 1 394.520 -1.887 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000672595975 1074798578 /nfs/dbraw/zinc/79/85/78/1074798578.db2.gz BREJQRLIZMOKBZ-CVEARBPZSA-N 2 1 394.520 -1.887 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000672595976 1074798618 /nfs/dbraw/zinc/79/86/18/1074798618.db2.gz BREJQRLIZMOKBZ-HOTGVXAUSA-N 2 1 394.520 -1.887 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000672595976 1074798614 /nfs/dbraw/zinc/79/86/14/1074798614.db2.gz BREJQRLIZMOKBZ-HOTGVXAUSA-N 2 1 394.520 -1.887 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000672595976 1074798612 /nfs/dbraw/zinc/79/86/12/1074798612.db2.gz BREJQRLIZMOKBZ-HOTGVXAUSA-N 2 1 394.520 -1.887 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000672595977 1074798299 /nfs/dbraw/zinc/79/82/99/1074798299.db2.gz BREJQRLIZMOKBZ-HZPDHXFCSA-N 2 1 394.520 -1.887 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000672595977 1074798292 /nfs/dbraw/zinc/79/82/92/1074798292.db2.gz BREJQRLIZMOKBZ-HZPDHXFCSA-N 2 1 394.520 -1.887 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000672595977 1074798287 /nfs/dbraw/zinc/79/82/87/1074798287.db2.gz BREJQRLIZMOKBZ-HZPDHXFCSA-N 2 1 394.520 -1.887 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000672595978 1074798971 /nfs/dbraw/zinc/79/89/71/1074798971.db2.gz BREJQRLIZMOKBZ-JKSUJKDBSA-N 2 1 394.520 -1.887 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000672595978 1074798962 /nfs/dbraw/zinc/79/89/62/1074798962.db2.gz BREJQRLIZMOKBZ-JKSUJKDBSA-N 2 1 394.520 -1.887 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000672595978 1074798958 /nfs/dbraw/zinc/79/89/58/1074798958.db2.gz BREJQRLIZMOKBZ-JKSUJKDBSA-N 2 1 394.520 -1.887 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672596938 1074798923 /nfs/dbraw/zinc/79/89/23/1074798923.db2.gz IVIWGXCWUUGOBD-DLBZAZTESA-N 2 1 380.537 -1.413 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672596938 1074798917 /nfs/dbraw/zinc/79/89/17/1074798917.db2.gz IVIWGXCWUUGOBD-DLBZAZTESA-N 2 1 380.537 -1.413 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672596938 1074798906 /nfs/dbraw/zinc/79/89/06/1074798906.db2.gz IVIWGXCWUUGOBD-DLBZAZTESA-N 2 1 380.537 -1.413 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672596939 1074799220 /nfs/dbraw/zinc/79/92/20/1074799220.db2.gz IVIWGXCWUUGOBD-IAGOWNOFSA-N 2 1 380.537 -1.413 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672596939 1074799215 /nfs/dbraw/zinc/79/92/15/1074799215.db2.gz IVIWGXCWUUGOBD-IAGOWNOFSA-N 2 1 380.537 -1.413 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672596939 1074799209 /nfs/dbraw/zinc/79/92/09/1074799209.db2.gz IVIWGXCWUUGOBD-IAGOWNOFSA-N 2 1 380.537 -1.413 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672596940 1074799427 /nfs/dbraw/zinc/79/94/27/1074799427.db2.gz IVIWGXCWUUGOBD-IRXDYDNUSA-N 2 1 380.537 -1.413 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672596940 1074799422 /nfs/dbraw/zinc/79/94/22/1074799422.db2.gz IVIWGXCWUUGOBD-IRXDYDNUSA-N 2 1 380.537 -1.413 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672596940 1074799416 /nfs/dbraw/zinc/79/94/16/1074799416.db2.gz IVIWGXCWUUGOBD-IRXDYDNUSA-N 2 1 380.537 -1.413 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672596941 1074799303 /nfs/dbraw/zinc/79/93/03/1074799303.db2.gz IVIWGXCWUUGOBD-SJORKVTESA-N 2 1 380.537 -1.413 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672596941 1074799293 /nfs/dbraw/zinc/79/92/93/1074799293.db2.gz IVIWGXCWUUGOBD-SJORKVTESA-N 2 1 380.537 -1.413 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672596941 1074799292 /nfs/dbraw/zinc/79/92/92/1074799292.db2.gz IVIWGXCWUUGOBD-SJORKVTESA-N 2 1 380.537 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336364 1073650166 /nfs/dbraw/zinc/65/01/66/1073650166.db2.gz VPRNAWHBCTVKIQ-ARFHVFGLSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685336364 1073650157 /nfs/dbraw/zinc/65/01/57/1073650157.db2.gz VPRNAWHBCTVKIQ-ARFHVFGLSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685336364 1073650145 /nfs/dbraw/zinc/65/01/45/1073650145.db2.gz VPRNAWHBCTVKIQ-ARFHVFGLSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685336364 1073650139 /nfs/dbraw/zinc/65/01/39/1073650139.db2.gz VPRNAWHBCTVKIQ-ARFHVFGLSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336365 1073650227 /nfs/dbraw/zinc/65/02/27/1073650227.db2.gz VPRNAWHBCTVKIQ-HRCADAONSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685336365 1073650224 /nfs/dbraw/zinc/65/02/24/1073650224.db2.gz VPRNAWHBCTVKIQ-HRCADAONSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685336365 1073650220 /nfs/dbraw/zinc/65/02/20/1073650220.db2.gz VPRNAWHBCTVKIQ-HRCADAONSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685336365 1073650217 /nfs/dbraw/zinc/65/02/17/1073650217.db2.gz VPRNAWHBCTVKIQ-HRCADAONSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336366 1073650478 /nfs/dbraw/zinc/65/04/78/1073650478.db2.gz VPRNAWHBCTVKIQ-JYJNAYRXSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336366 1073650475 /nfs/dbraw/zinc/65/04/75/1073650475.db2.gz VPRNAWHBCTVKIQ-JYJNAYRXSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685336366 1073650468 /nfs/dbraw/zinc/65/04/68/1073650468.db2.gz VPRNAWHBCTVKIQ-JYJNAYRXSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685336366 1073650466 /nfs/dbraw/zinc/65/04/66/1073650466.db2.gz VPRNAWHBCTVKIQ-JYJNAYRXSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336367 1073650100 /nfs/dbraw/zinc/65/01/00/1073650100.db2.gz VPRNAWHBCTVKIQ-XHSDSOJGSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336367 1073650093 /nfs/dbraw/zinc/65/00/93/1073650093.db2.gz VPRNAWHBCTVKIQ-XHSDSOJGSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685336367 1073650085 /nfs/dbraw/zinc/65/00/85/1073650085.db2.gz VPRNAWHBCTVKIQ-XHSDSOJGSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685336367 1073650075 /nfs/dbraw/zinc/65/00/75/1073650075.db2.gz VPRNAWHBCTVKIQ-XHSDSOJGSA-N 2 1 395.504 -1.413 20 0 GAADMP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342747 1073653233 /nfs/dbraw/zinc/65/32/33/1073653233.db2.gz MJIRYDOZYLKILB-CVEARBPZSA-N 2 1 395.504 -1.412 20 0 GAADMP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342747 1073653230 /nfs/dbraw/zinc/65/32/30/1073653230.db2.gz MJIRYDOZYLKILB-CVEARBPZSA-N 2 1 395.504 -1.412 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342748 1073653047 /nfs/dbraw/zinc/65/30/47/1073653047.db2.gz MJIRYDOZYLKILB-HOTGVXAUSA-N 2 1 395.504 -1.412 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342748 1073653040 /nfs/dbraw/zinc/65/30/40/1073653040.db2.gz MJIRYDOZYLKILB-HOTGVXAUSA-N 2 1 395.504 -1.412 20 0 GAADMP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342749 1073653218 /nfs/dbraw/zinc/65/32/18/1073653218.db2.gz MJIRYDOZYLKILB-HZPDHXFCSA-N 2 1 395.504 -1.412 20 0 GAADMP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342749 1073653214 /nfs/dbraw/zinc/65/32/14/1073653214.db2.gz MJIRYDOZYLKILB-HZPDHXFCSA-N 2 1 395.504 -1.412 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342750 1073653203 /nfs/dbraw/zinc/65/32/03/1073653203.db2.gz MJIRYDOZYLKILB-JKSUJKDBSA-N 2 1 395.504 -1.412 20 0 GAADMP C[C@H](NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342750 1073653196 /nfs/dbraw/zinc/65/31/96/1073653196.db2.gz MJIRYDOZYLKILB-JKSUJKDBSA-N 2 1 395.504 -1.412 20 0 GAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685343517 1073653015 /nfs/dbraw/zinc/65/30/15/1073653015.db2.gz MGGJPANQCQPZFU-CVEARBPZSA-N 2 1 397.520 -1.166 20 0 GAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685343517 1073653012 /nfs/dbraw/zinc/65/30/12/1073653012.db2.gz MGGJPANQCQPZFU-CVEARBPZSA-N 2 1 397.520 -1.166 20 0 GAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685343519 1073652952 /nfs/dbraw/zinc/65/29/52/1073652952.db2.gz MGGJPANQCQPZFU-HOTGVXAUSA-N 2 1 397.520 -1.166 20 0 GAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685343519 1073652940 /nfs/dbraw/zinc/65/29/40/1073652940.db2.gz MGGJPANQCQPZFU-HOTGVXAUSA-N 2 1 397.520 -1.166 20 0 GAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685343521 1073653139 /nfs/dbraw/zinc/65/31/39/1073653139.db2.gz MGGJPANQCQPZFU-HZPDHXFCSA-N 2 1 397.520 -1.166 20 0 GAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685343521 1073653134 /nfs/dbraw/zinc/65/31/34/1073653134.db2.gz MGGJPANQCQPZFU-HZPDHXFCSA-N 2 1 397.520 -1.166 20 0 GAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685343522 1073653247 /nfs/dbraw/zinc/65/32/47/1073653247.db2.gz MGGJPANQCQPZFU-JKSUJKDBSA-N 2 1 397.520 -1.166 20 0 GAADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685343522 1073653246 /nfs/dbraw/zinc/65/32/46/1073653246.db2.gz MGGJPANQCQPZFU-JKSUJKDBSA-N 2 1 397.520 -1.166 20 0 GAADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000779654196 1075798842 /nfs/dbraw/zinc/79/88/42/1075798842.db2.gz ZGYHPWPCGAACPA-CYBMUJFWSA-N 2 1 393.510 -1.008 20 0 GAADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000779654196 1075798838 /nfs/dbraw/zinc/79/88/38/1075798838.db2.gz ZGYHPWPCGAACPA-CYBMUJFWSA-N 2 1 393.510 -1.008 20 0 GAADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000779654197 1075798820 /nfs/dbraw/zinc/79/88/20/1075798820.db2.gz ZGYHPWPCGAACPA-ZDUSSCGKSA-N 2 1 393.510 -1.008 20 0 GAADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)NCCCN(C)S(C)(=O)=O)C1 ZINC000779654197 1075798815 /nfs/dbraw/zinc/79/88/15/1075798815.db2.gz ZGYHPWPCGAACPA-ZDUSSCGKSA-N 2 1 393.510 -1.008 20 0 GAADMP O=C(C[NH+]1C[C@@H]2C[C@]2(CO)C1)N1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000782633269 1073744957 /nfs/dbraw/zinc/74/49/57/1073744957.db2.gz NKWREXAHESRQCI-XAMWDVODSA-N 2 1 392.500 -1.714 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000787610529 1075011995 /nfs/dbraw/zinc/01/19/95/1075011995.db2.gz QVWSYOJEEFUYFF-CABCVRRESA-N 2 1 381.477 -1.754 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000787610529 1075011990 /nfs/dbraw/zinc/01/19/90/1075011990.db2.gz QVWSYOJEEFUYFF-CABCVRRESA-N 2 1 381.477 -1.754 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000787610536 1075011958 /nfs/dbraw/zinc/01/19/58/1075011958.db2.gz QVWSYOJEEFUYFF-GJZGRUSLSA-N 2 1 381.477 -1.754 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000787610536 1075011953 /nfs/dbraw/zinc/01/19/53/1075011953.db2.gz QVWSYOJEEFUYFF-GJZGRUSLSA-N 2 1 381.477 -1.754 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000787610539 1075012054 /nfs/dbraw/zinc/01/20/54/1075012054.db2.gz QVWSYOJEEFUYFF-HUUCEWRRSA-N 2 1 381.477 -1.754 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000787610539 1075012051 /nfs/dbraw/zinc/01/20/51/1075012051.db2.gz QVWSYOJEEFUYFF-HUUCEWRRSA-N 2 1 381.477 -1.754 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000787610542 1075011928 /nfs/dbraw/zinc/01/19/28/1075011928.db2.gz QVWSYOJEEFUYFF-LSDHHAIUSA-N 2 1 381.477 -1.754 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000787610542 1075011921 /nfs/dbraw/zinc/01/19/21/1075011921.db2.gz QVWSYOJEEFUYFF-LSDHHAIUSA-N 2 1 381.477 -1.754 20 0 GAADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)CN1CC[NH+](C)CC1 ZINC000790195213 1075014943 /nfs/dbraw/zinc/01/49/43/1075014943.db2.gz LRKSVOQCOTUDFD-BRWVUGGUSA-N 2 1 381.521 -1.035 20 0 GAADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)CN1CC[NH+](C)CC1 ZINC000790195213 1075014939 /nfs/dbraw/zinc/01/49/39/1075014939.db2.gz LRKSVOQCOTUDFD-BRWVUGGUSA-N 2 1 381.521 -1.035 20 0 GAADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000790195213 1075014938 /nfs/dbraw/zinc/01/49/38/1075014938.db2.gz LRKSVOQCOTUDFD-BRWVUGGUSA-N 2 1 381.521 -1.035 20 0 GAADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)CN1CC[NH+](C)CC1 ZINC000790195214 1075015091 /nfs/dbraw/zinc/01/50/91/1075015091.db2.gz LRKSVOQCOTUDFD-IKGGRYGDSA-N 2 1 381.521 -1.035 20 0 GAADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)CN1CC[NH+](C)CC1 ZINC000790195214 1075015087 /nfs/dbraw/zinc/01/50/87/1075015087.db2.gz LRKSVOQCOTUDFD-IKGGRYGDSA-N 2 1 381.521 -1.035 20 0 GAADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000790195214 1075015082 /nfs/dbraw/zinc/01/50/82/1075015082.db2.gz LRKSVOQCOTUDFD-IKGGRYGDSA-N 2 1 381.521 -1.035 20 0 GAADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)CN1CC[NH+](C)CC1 ZINC000790195215 1075015076 /nfs/dbraw/zinc/01/50/76/1075015076.db2.gz LRKSVOQCOTUDFD-IXDOHACOSA-N 2 1 381.521 -1.035 20 0 GAADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)CN1CC[NH+](C)CC1 ZINC000790195215 1075015071 /nfs/dbraw/zinc/01/50/71/1075015071.db2.gz LRKSVOQCOTUDFD-IXDOHACOSA-N 2 1 381.521 -1.035 20 0 GAADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000790195215 1075015067 /nfs/dbraw/zinc/01/50/67/1075015067.db2.gz LRKSVOQCOTUDFD-IXDOHACOSA-N 2 1 381.521 -1.035 20 0 GAADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)CN1CC[NH+](C)CC1 ZINC000790195216 1075015121 /nfs/dbraw/zinc/01/51/21/1075015121.db2.gz LRKSVOQCOTUDFD-ZACQAIPSSA-N 2 1 381.521 -1.035 20 0 GAADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)CN1CC[NH+](C)CC1 ZINC000790195216 1075015117 /nfs/dbraw/zinc/01/51/17/1075015117.db2.gz LRKSVOQCOTUDFD-ZACQAIPSSA-N 2 1 381.521 -1.035 20 0 GAADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C[NH+]1CCN(C)CC1 ZINC000790195216 1075015114 /nfs/dbraw/zinc/01/51/14/1075015114.db2.gz LRKSVOQCOTUDFD-ZACQAIPSSA-N 2 1 381.521 -1.035 20 0 GAADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804066521 1073530320 /nfs/dbraw/zinc/53/03/20/1073530320.db2.gz BAJZXMXRQCUMFK-BZUAXINKSA-N 2 1 395.504 -1.331 20 0 GAADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804066521 1073530313 /nfs/dbraw/zinc/53/03/13/1073530313.db2.gz BAJZXMXRQCUMFK-BZUAXINKSA-N 2 1 395.504 -1.331 20 0 GAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804066521 1073530303 /nfs/dbraw/zinc/53/03/03/1073530303.db2.gz BAJZXMXRQCUMFK-BZUAXINKSA-N 2 1 395.504 -1.331 20 0 GAADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000804066522 1073530387 /nfs/dbraw/zinc/53/03/87/1073530387.db2.gz BAJZXMXRQCUMFK-OAGGEKHMSA-N 2 1 395.504 -1.331 20 0 GAADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000804066522 1073530378 /nfs/dbraw/zinc/53/03/78/1073530378.db2.gz BAJZXMXRQCUMFK-OAGGEKHMSA-N 2 1 395.504 -1.331 20 0 GAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000804066522 1073530366 /nfs/dbraw/zinc/53/03/66/1073530366.db2.gz BAJZXMXRQCUMFK-OAGGEKHMSA-N 2 1 395.504 -1.331 20 0 GAADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804066523 1073530253 /nfs/dbraw/zinc/53/02/53/1073530253.db2.gz BAJZXMXRQCUMFK-OWCLPIDISA-N 2 1 395.504 -1.331 20 0 GAADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804066523 1073530239 /nfs/dbraw/zinc/53/02/39/1073530239.db2.gz BAJZXMXRQCUMFK-OWCLPIDISA-N 2 1 395.504 -1.331 20 0 GAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804066523 1073530224 /nfs/dbraw/zinc/53/02/24/1073530224.db2.gz BAJZXMXRQCUMFK-OWCLPIDISA-N 2 1 395.504 -1.331 20 0 GAADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000804066524 1073529976 /nfs/dbraw/zinc/52/99/76/1073529976.db2.gz BAJZXMXRQCUMFK-PMPSAXMXSA-N 2 1 395.504 -1.331 20 0 GAADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000804066524 1073529968 /nfs/dbraw/zinc/52/99/68/1073529968.db2.gz BAJZXMXRQCUMFK-PMPSAXMXSA-N 2 1 395.504 -1.331 20 0 GAADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000804066524 1073529956 /nfs/dbraw/zinc/52/99/56/1073529956.db2.gz BAJZXMXRQCUMFK-PMPSAXMXSA-N 2 1 395.504 -1.331 20 0 GAADMP C[C@@H](CNC(=O)C1CN(C)CC[NH+](C)C1)N(C)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000823783465 1074906668 /nfs/dbraw/zinc/90/66/68/1074906668.db2.gz CAHHEWITRMFJBH-INIZCTEOSA-N 2 1 396.580 -1.064 20 0 GAADMP C[C@@H](CNC(=O)C1CN(C)CC[NH+](C)C1)N(C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000823783465 1074906666 /nfs/dbraw/zinc/90/66/66/1074906666.db2.gz CAHHEWITRMFJBH-INIZCTEOSA-N 2 1 396.580 -1.064 20 0 GAADMP C[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)N(C)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000823783465 1074906663 /nfs/dbraw/zinc/90/66/63/1074906663.db2.gz CAHHEWITRMFJBH-INIZCTEOSA-N 2 1 396.580 -1.064 20 0 GAADMP C[C@H](CNC(=O)C1CN(C)CC[NH+](C)C1)N(C)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000823783466 1074906591 /nfs/dbraw/zinc/90/65/91/1074906591.db2.gz CAHHEWITRMFJBH-MRXNPFEDSA-N 2 1 396.580 -1.064 20 0 GAADMP C[C@H](CNC(=O)C1CN(C)CC[NH+](C)C1)N(C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000823783466 1074906588 /nfs/dbraw/zinc/90/65/88/1074906588.db2.gz CAHHEWITRMFJBH-MRXNPFEDSA-N 2 1 396.580 -1.064 20 0 GAADMP C[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)N(C)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000823783466 1074906585 /nfs/dbraw/zinc/90/65/85/1074906585.db2.gz CAHHEWITRMFJBH-MRXNPFEDSA-N 2 1 396.580 -1.064 20 0 GAADMP CCC(C)(C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000824297846 1075051553 /nfs/dbraw/zinc/05/15/53/1075051553.db2.gz ILDIJVFRZJOPBA-MWDXBVQZSA-N 2 1 394.516 -1.043 20 0 GAADMP O=C([C@@H]1C[C@@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000824304693 1075051453 /nfs/dbraw/zinc/05/14/53/1075051453.db2.gz ZRJNIKMEHRXKPZ-SJRVDFGRSA-N 2 1 378.473 -1.823 20 0 GAADMP O=C([C@@H]1C[C@@H]1C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000824304693 1075051448 /nfs/dbraw/zinc/05/14/48/1075051448.db2.gz ZRJNIKMEHRXKPZ-SJRVDFGRSA-N 2 1 378.473 -1.823 20 0 GAADMP O=C([C@@H]1C[C@@H]1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000824304693 1075051445 /nfs/dbraw/zinc/05/14/45/1075051445.db2.gz ZRJNIKMEHRXKPZ-SJRVDFGRSA-N 2 1 378.473 -1.823 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)NCCCCNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000830242588 1073857108 /nfs/dbraw/zinc/85/71/08/1073857108.db2.gz NXVXSWMXUFPEQW-UHFFFAOYSA-N 2 1 396.580 -1.014 20 0 GAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000841789115 1073886665 /nfs/dbraw/zinc/88/66/65/1073886665.db2.gz MLCRUOFGOXUKMR-KBPBESRZSA-N 2 1 387.506 -1.522 20 0 GAADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000841789115 1073886657 /nfs/dbraw/zinc/88/66/57/1073886657.db2.gz MLCRUOFGOXUKMR-KBPBESRZSA-N 2 1 387.506 -1.522 20 0 GAADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000841789116 1073886610 /nfs/dbraw/zinc/88/66/10/1073886610.db2.gz MLCRUOFGOXUKMR-KGLIPLIRSA-N 2 1 387.506 -1.522 20 0 GAADMP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000841789116 1073886601 /nfs/dbraw/zinc/88/66/01/1073886601.db2.gz MLCRUOFGOXUKMR-KGLIPLIRSA-N 2 1 387.506 -1.522 20 0 GAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000841789117 1073886455 /nfs/dbraw/zinc/88/64/55/1073886455.db2.gz MLCRUOFGOXUKMR-UONOGXRCSA-N 2 1 387.506 -1.522 20 0 GAADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000841789117 1073886437 /nfs/dbraw/zinc/88/64/37/1073886437.db2.gz MLCRUOFGOXUKMR-UONOGXRCSA-N 2 1 387.506 -1.522 20 0 GAADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000841789118 1073886748 /nfs/dbraw/zinc/88/67/48/1073886748.db2.gz MLCRUOFGOXUKMR-ZIAGYGMSSA-N 2 1 387.506 -1.522 20 0 GAADMP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000841789118 1073886739 /nfs/dbraw/zinc/88/67/39/1073886739.db2.gz MLCRUOFGOXUKMR-ZIAGYGMSSA-N 2 1 387.506 -1.522 20 0 GAADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@H]1C ZINC000846278394 1075061077 /nfs/dbraw/zinc/06/10/77/1075061077.db2.gz SEICLYDOPWVLKT-IYBDPMFKSA-N 2 1 397.520 -1.214 20 0 GAADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@@H]1C ZINC000846278394 1075061075 /nfs/dbraw/zinc/06/10/75/1075061075.db2.gz SEICLYDOPWVLKT-IYBDPMFKSA-N 2 1 397.520 -1.214 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC000846734826 1075076876 /nfs/dbraw/zinc/07/68/76/1075076876.db2.gz IEIFFUXWGQXUIF-CABCVRRESA-N 2 1 381.477 -1.802 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC000846734833 1075076923 /nfs/dbraw/zinc/07/69/23/1075076923.db2.gz IEIFFUXWGQXUIF-GJZGRUSLSA-N 2 1 381.477 -1.802 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1=O ZINC000846734836 1075076976 /nfs/dbraw/zinc/07/69/76/1075076976.db2.gz IEIFFUXWGQXUIF-HUUCEWRRSA-N 2 1 381.477 -1.802 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1=O ZINC000846734839 1075076862 /nfs/dbraw/zinc/07/68/62/1075076862.db2.gz IEIFFUXWGQXUIF-LSDHHAIUSA-N 2 1 381.477 -1.802 20 0 GAADMP Cc1nc(N2CC[NH+]3C[C@H](O)C[C@H]3C2)nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC000848765768 1075237494 /nfs/dbraw/zinc/23/74/94/1075237494.db2.gz IIJKNHGBJCYVPM-CAOSSQGBSA-N 2 1 375.477 -1.310 20 0 GAADMP CS(=O)(=O)N1CCN(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000849065819 637465596 /nfs/dbraw/zinc/46/55/96/637465596.db2.gz ADBNVXALUZPITR-UHFFFAOYSA-N 2 1 376.527 -1.600 20 0 GAADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000851690689 1075442559 /nfs/dbraw/zinc/44/25/59/1075442559.db2.gz ALSYTQCLWUVTPT-KRWDZBQOSA-N 2 1 377.489 -1.302 20 0 GAADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000851690692 1075442547 /nfs/dbraw/zinc/44/25/47/1075442547.db2.gz ALSYTQCLWUVTPT-QGZVFWFLSA-N 2 1 377.489 -1.302 20 0 GAADMP CN(C(=O)C1=NO[C@H](C[NH3+])C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000852884532 1075445044 /nfs/dbraw/zinc/44/50/44/1075445044.db2.gz HIORCADDGOPBOM-HNNXBMFYSA-N 2 1 380.493 -1.213 20 0 GAADMP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000852884536 1075444996 /nfs/dbraw/zinc/44/49/96/1075444996.db2.gz HIORCADDGOPBOM-OAHLLOKOSA-N 2 1 380.493 -1.213 20 0 GAADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CC1 ZINC000861740630 1075464985 /nfs/dbraw/zinc/46/49/85/1075464985.db2.gz UBMRIGMLRUQBER-CABCVRRESA-N 2 1 379.461 -1.020 20 0 GAADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000861755411 1075464917 /nfs/dbraw/zinc/46/49/17/1075464917.db2.gz QPGYDEWSIOFVDF-CABCVRRESA-N 2 1 397.476 -1.536 20 0 GAADMP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CC[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000863318012 1075468646 /nfs/dbraw/zinc/46/86/46/1075468646.db2.gz RWTLZGAHZNAADV-YYIAUSFCSA-N 2 1 382.505 -1.232 20 0 GAADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CC[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)C1 ZINC000863318012 1075468640 /nfs/dbraw/zinc/46/86/40/1075468640.db2.gz RWTLZGAHZNAADV-YYIAUSFCSA-N 2 1 382.505 -1.232 20 0 GAADMP O=C(NCC[NH+]1CC[C@@H](O)C1)[C@@H]1CC[C@H](C(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000863318012 1075468634 /nfs/dbraw/zinc/46/86/34/1075468634.db2.gz RWTLZGAHZNAADV-YYIAUSFCSA-N 2 1 382.505 -1.232 20 0 GAADMP Cn1cc(S(=O)(=O)NCC[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cn1 ZINC000863549281 1075469108 /nfs/dbraw/zinc/46/91/08/1075469108.db2.gz GZBBAXCRYMIXDK-CABCVRRESA-N 2 1 398.489 -1.045 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCC(N4C(=O)O[C@H]5C[NH2+]C[C@H]54)CC3)C[C@@H]21 ZINC000863772318 1075470456 /nfs/dbraw/zinc/47/04/56/1075470456.db2.gz UVKUWZRFCFPPJS-OJLVUWQFSA-N 2 1 391.472 -1.068 20 0 GAADMP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CC[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000863835141 1075470923 /nfs/dbraw/zinc/47/09/23/1075470923.db2.gz RWTLZGAHZNAADV-YVSFHVDLSA-N 2 1 382.505 -1.232 20 0 GAADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CC[C@H](C(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000863835141 1075470919 /nfs/dbraw/zinc/47/09/19/1075470919.db2.gz RWTLZGAHZNAADV-YVSFHVDLSA-N 2 1 382.505 -1.232 20 0 GAADMP O=C(NCC[NH+]1CC[C@H](O)C1)[C@@H]1CC[C@H](C(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000863835141 1075470914 /nfs/dbraw/zinc/47/09/14/1075470914.db2.gz RWTLZGAHZNAADV-YVSFHVDLSA-N 2 1 382.505 -1.232 20 0 GAADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@]34COCCN3C(=O)COC4)cn2)CC1 ZINC000865798326 1075471813 /nfs/dbraw/zinc/47/18/13/1075471813.db2.gz SHADURPDXSEUIM-GOSISDBHSA-N 2 1 376.461 -1.054 20 0 GAADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@]34COCCN3C(=O)COC4)cn2)CC1 ZINC000865798328 1075471870 /nfs/dbraw/zinc/47/18/70/1075471870.db2.gz SHADURPDXSEUIM-SFHVURJKSA-N 2 1 376.461 -1.054 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(F)(F)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000865934386 1075472282 /nfs/dbraw/zinc/47/22/82/1075472282.db2.gz RETLAROPYUOPHL-KBPBESRZSA-N 2 1 390.479 -1.654 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(F)(F)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000865934388 1075472388 /nfs/dbraw/zinc/47/23/88/1075472388.db2.gz RETLAROPYUOPHL-ZIAGYGMSSA-N 2 1 390.479 -1.654 20 0 GAADMP O=C(N1CC[NH+]2C[C@H](O)C[C@H]2C1)C(F)(F)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000866020810 1075472316 /nfs/dbraw/zinc/47/23/16/1075472316.db2.gz PMLXFQAKQYSZIF-IGQOVBAYSA-N 2 1 388.415 -1.824 20 0 GAADMP O=C(C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCCN1CCCC1=O ZINC000866706811 1075472821 /nfs/dbraw/zinc/47/28/21/1075472821.db2.gz DOJWNELDPXOFJO-KFWWJZLASA-N 2 1 379.461 -1.018 20 0 GAADMP O=C(C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCCN1CCCC1=O ZINC000866706811 1075472818 /nfs/dbraw/zinc/47/28/18/1075472818.db2.gz DOJWNELDPXOFJO-KFWWJZLASA-N 2 1 379.461 -1.018 20 0 GAADMP O=C(C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCCN1CCCC1=O ZINC000866706816 1075472831 /nfs/dbraw/zinc/47/28/31/1075472831.db2.gz DOJWNELDPXOFJO-ZNMIVQPWSA-N 2 1 379.461 -1.018 20 0 GAADMP O=C(C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)NCCCN1CCCC1=O ZINC000866706816 1075472830 /nfs/dbraw/zinc/47/28/30/1075472830.db2.gz DOJWNELDPXOFJO-ZNMIVQPWSA-N 2 1 379.461 -1.018 20 0 GAADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707510 1075472780 /nfs/dbraw/zinc/47/27/80/1075472780.db2.gz ANCVZTNTJGVRFC-FPCVCCKLSA-N 2 1 379.461 -1.020 20 0 GAADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707510 1075472778 /nfs/dbraw/zinc/47/27/78/1075472778.db2.gz ANCVZTNTJGVRFC-FPCVCCKLSA-N 2 1 379.461 -1.020 20 0 GAADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707513 1075472768 /nfs/dbraw/zinc/47/27/68/1075472768.db2.gz ANCVZTNTJGVRFC-JJXSEGSLSA-N 2 1 379.461 -1.020 20 0 GAADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707513 1075472764 /nfs/dbraw/zinc/47/27/64/1075472764.db2.gz ANCVZTNTJGVRFC-JJXSEGSLSA-N 2 1 379.461 -1.020 20 0 GAADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707514 1075472880 /nfs/dbraw/zinc/47/28/80/1075472880.db2.gz ANCVZTNTJGVRFC-JONQDZQNSA-N 2 1 379.461 -1.020 20 0 GAADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707514 1075472874 /nfs/dbraw/zinc/47/28/74/1075472874.db2.gz ANCVZTNTJGVRFC-JONQDZQNSA-N 2 1 379.461 -1.020 20 0 GAADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707515 1075472845 /nfs/dbraw/zinc/47/28/45/1075472845.db2.gz ANCVZTNTJGVRFC-QXSJWSMHSA-N 2 1 379.461 -1.020 20 0 GAADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000866707515 1075472838 /nfs/dbraw/zinc/47/28/38/1075472838.db2.gz ANCVZTNTJGVRFC-QXSJWSMHSA-N 2 1 379.461 -1.020 20 0 GAADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866708424 1075472802 /nfs/dbraw/zinc/47/28/02/1075472802.db2.gz MXAGVVOXLRXRAZ-BVUBDWEXSA-N 2 1 379.461 -1.068 20 0 GAADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866708424 1075472799 /nfs/dbraw/zinc/47/27/99/1075472799.db2.gz MXAGVVOXLRXRAZ-BVUBDWEXSA-N 2 1 379.461 -1.068 20 0 GAADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866708436 1075472811 /nfs/dbraw/zinc/47/28/11/1075472811.db2.gz MXAGVVOXLRXRAZ-HNKHHVNMSA-N 2 1 379.461 -1.068 20 0 GAADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866708436 1075472807 /nfs/dbraw/zinc/47/28/07/1075472807.db2.gz MXAGVVOXLRXRAZ-HNKHHVNMSA-N 2 1 379.461 -1.068 20 0 GAADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866708439 1075472899 /nfs/dbraw/zinc/47/28/99/1075472899.db2.gz MXAGVVOXLRXRAZ-MIGQKNRLSA-N 2 1 379.461 -1.068 20 0 GAADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866708439 1075472894 /nfs/dbraw/zinc/47/28/94/1075472894.db2.gz MXAGVVOXLRXRAZ-MIGQKNRLSA-N 2 1 379.461 -1.068 20 0 GAADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866708441 1075473273 /nfs/dbraw/zinc/47/32/73/1075473273.db2.gz MXAGVVOXLRXRAZ-XZDPQHSOSA-N 2 1 379.461 -1.068 20 0 GAADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000866708441 1075473270 /nfs/dbraw/zinc/47/32/70/1075473270.db2.gz MXAGVVOXLRXRAZ-XZDPQHSOSA-N 2 1 379.461 -1.068 20 0 GAADMP O=C(C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000866710959 1075473239 /nfs/dbraw/zinc/47/32/39/1075473239.db2.gz YIHXNGDVQHHNOB-OAGGEKHMSA-N 2 1 391.472 -1.066 20 0 GAADMP O=C(C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000866710959 1075473236 /nfs/dbraw/zinc/47/32/36/1075473236.db2.gz YIHXNGDVQHHNOB-OAGGEKHMSA-N 2 1 391.472 -1.066 20 0 GAADMP O=C(C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000866710960 1075473302 /nfs/dbraw/zinc/47/33/02/1075473302.db2.gz YIHXNGDVQHHNOB-XHSDSOJGSA-N 2 1 391.472 -1.066 20 0 GAADMP O=C(C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000866710960 1075473298 /nfs/dbraw/zinc/47/32/98/1075473298.db2.gz YIHXNGDVQHHNOB-XHSDSOJGSA-N 2 1 391.472 -1.066 20 0 GAADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000867627039 1075474171 /nfs/dbraw/zinc/47/41/71/1075474171.db2.gz CAULAHMMWAGLBG-JKSUJKDBSA-N 2 1 380.489 -1.165 20 0 GAADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000867627039 1075474165 /nfs/dbraw/zinc/47/41/65/1075474165.db2.gz CAULAHMMWAGLBG-JKSUJKDBSA-N 2 1 380.489 -1.165 20 0 GAADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH+](C)C ZINC000867628221 1075474275 /nfs/dbraw/zinc/47/42/75/1075474275.db2.gz TXXLMANVZXCGAC-WCXIOVBPSA-N 2 1 381.521 -1.538 20 0 GAADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C[C@H]1C[NH+](C)C ZINC000867628221 1075474272 /nfs/dbraw/zinc/47/42/72/1075474272.db2.gz TXXLMANVZXCGAC-WCXIOVBPSA-N 3 1 381.521 -1.538 20 0 GAADMP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H](F)C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000868089011 1075475807 /nfs/dbraw/zinc/47/58/07/1075475807.db2.gz KCXXEYRYFIZMCT-BJWYYQGGSA-N 2 1 396.511 -1.663 20 0 GAADMP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H](F)C(=O)NC[C@H]1C[NH+]2CCN1CCC2 ZINC000868089011 1075475802 /nfs/dbraw/zinc/47/58/02/1075475802.db2.gz KCXXEYRYFIZMCT-BJWYYQGGSA-N 2 1 396.511 -1.663 20 0 GAADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)[C@@H](F)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000868089011 1075475793 /nfs/dbraw/zinc/47/57/93/1075475793.db2.gz KCXXEYRYFIZMCT-BJWYYQGGSA-N 2 1 396.511 -1.663 20 0 GAADMP O=C(NC[C@H]1C[NH+]2CCN1CCC2)C(F)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000868089014 1075475770 /nfs/dbraw/zinc/47/57/70/1075475770.db2.gz KCXXEYRYFIZMCT-HOTGVXAUSA-N 2 1 396.511 -1.663 20 0 GAADMP O=C(NC[C@@H]1C[NH+]2CCN1CCC2)C(F)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000868089015 1075475697 /nfs/dbraw/zinc/47/56/97/1075475697.db2.gz KCXXEYRYFIZMCT-HZPDHXFCSA-N 2 1 396.511 -1.663 20 0 GAADMP O=C([C@@H](F)C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000868343203 1075475848 /nfs/dbraw/zinc/47/58/48/1075475848.db2.gz HBIFQJPNVVSYEO-KFESYUHLSA-N 2 1 398.479 -1.341 20 0 GAADMP O=C([C@@H](F)C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000868343203 1075475845 /nfs/dbraw/zinc/47/58/45/1075475845.db2.gz HBIFQJPNVVSYEO-KFESYUHLSA-N 2 1 398.479 -1.341 20 0 GAADMP O=C([C@@H](F)C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)N1CC[C@@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000868343203 1075475841 /nfs/dbraw/zinc/47/58/41/1075475841.db2.gz HBIFQJPNVVSYEO-KFESYUHLSA-N 2 1 398.479 -1.341 20 0 GAADMP O=C([C@@H](F)C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000868343205 1075476249 /nfs/dbraw/zinc/47/62/49/1075476249.db2.gz HBIFQJPNVVSYEO-QEOTZNIISA-N 2 1 398.479 -1.341 20 0 GAADMP O=C([C@@H](F)C(=O)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000868343205 1075476246 /nfs/dbraw/zinc/47/62/46/1075476246.db2.gz HBIFQJPNVVSYEO-QEOTZNIISA-N 2 1 398.479 -1.341 20 0 GAADMP O=C([C@@H](F)C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)N1CC[C@@H]([NH+]2CC[C@H](O)C2)C1 ZINC000868343205 1075476243 /nfs/dbraw/zinc/47/62/43/1075476243.db2.gz HBIFQJPNVVSYEO-QEOTZNIISA-N 2 1 398.479 -1.341 20 0 GAADMP O=C(C(F)C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000868343206 1075476266 /nfs/dbraw/zinc/47/62/66/1075476266.db2.gz HBIFQJPNVVSYEO-VGWMRTNUSA-N 2 1 398.479 -1.341 20 0 GAADMP O=C([C@H](F)C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000868343207 1075476259 /nfs/dbraw/zinc/47/62/59/1075476259.db2.gz HBIFQJPNVVSYEO-VIQHNZTISA-N 2 1 398.479 -1.341 20 0 GAADMP O=C([C@H](F)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)N1CC[C@H]([NH+]2CC[C@H](O)C2)C1 ZINC000868343207 1075476256 /nfs/dbraw/zinc/47/62/56/1075476256.db2.gz HBIFQJPNVVSYEO-VIQHNZTISA-N 2 1 398.479 -1.341 20 0 GAADMP O=C([C@@H](F)C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)N1CC[C@H]([NH+]2CC[C@@H](O)C2)C1 ZINC000868343207 1075476255 /nfs/dbraw/zinc/47/62/55/1075476255.db2.gz HBIFQJPNVVSYEO-VIQHNZTISA-N 2 1 398.479 -1.341 20 0 GAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000868357639 1075476285 /nfs/dbraw/zinc/47/62/85/1075476285.db2.gz CTJPMGGUAQSZPR-KFWWJZLASA-N 2 1 379.461 -1.066 20 0 GAADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000868357640 1075476152 /nfs/dbraw/zinc/47/61/52/1075476152.db2.gz CTJPMGGUAQSZPR-ZNMIVQPWSA-N 2 1 379.461 -1.066 20 0 GAADMP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868363223 1075476140 /nfs/dbraw/zinc/47/61/40/1075476140.db2.gz KYRLMRQLFMQGNX-OAGGEKHMSA-N 2 1 391.472 -1.066 20 0 GAADMP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868363226 1075476183 /nfs/dbraw/zinc/47/61/83/1075476183.db2.gz KYRLMRQLFMQGNX-XHSDSOJGSA-N 2 1 391.472 -1.066 20 0 GAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868381589 1075476699 /nfs/dbraw/zinc/47/66/99/1075476699.db2.gz LXFUYCVBGQEBSV-KFWWJZLASA-N 2 1 379.461 -1.068 20 0 GAADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868381590 1075476734 /nfs/dbraw/zinc/47/67/34/1075476734.db2.gz LXFUYCVBGQEBSV-ZNMIVQPWSA-N 2 1 379.461 -1.068 20 0 GAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)CC[C@H]21 ZINC000868384769 1075476865 /nfs/dbraw/zinc/47/68/65/1075476865.db2.gz GXZLOYDNCIUMFN-DZGCQCFKSA-N 2 1 399.517 -2.015 20 0 GAADMP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)CC[C@H]21 ZINC000868384769 1075476862 /nfs/dbraw/zinc/47/68/62/1075476862.db2.gz GXZLOYDNCIUMFN-DZGCQCFKSA-N 2 1 399.517 -2.015 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)CC[C@@H]21 ZINC000868384772 1075476881 /nfs/dbraw/zinc/47/68/81/1075476881.db2.gz GXZLOYDNCIUMFN-HIFRSBDPSA-N 2 1 399.517 -2.015 20 0 GAADMP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)CC[C@@H]21 ZINC000868384772 1075476877 /nfs/dbraw/zinc/47/68/77/1075476877.db2.gz GXZLOYDNCIUMFN-HIFRSBDPSA-N 2 1 399.517 -2.015 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)CC[C@H]21 ZINC000868384775 1075476896 /nfs/dbraw/zinc/47/68/96/1075476896.db2.gz GXZLOYDNCIUMFN-UKRRQHHQSA-N 2 1 399.517 -2.015 20 0 GAADMP C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)CC[C@H]21 ZINC000868384775 1075476892 /nfs/dbraw/zinc/47/68/92/1075476892.db2.gz GXZLOYDNCIUMFN-UKRRQHHQSA-N 2 1 399.517 -2.015 20 0 GAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)CC[C@@H]21 ZINC000868384777 1075477226 /nfs/dbraw/zinc/47/72/26/1075477226.db2.gz GXZLOYDNCIUMFN-ZFWWWQNUSA-N 2 1 399.517 -2.015 20 0 GAADMP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)CC[C@@H]21 ZINC000868384777 1075477223 /nfs/dbraw/zinc/47/72/23/1075477223.db2.gz GXZLOYDNCIUMFN-ZFWWWQNUSA-N 2 1 399.517 -2.015 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)CC[C@@H]21 ZINC000868396661 1075477794 /nfs/dbraw/zinc/47/77/94/1075477794.db2.gz VJCLFEHHFANBPS-CVEARBPZSA-N 2 1 392.504 -1.292 20 0 GAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)CC[C@@H]21 ZINC000868396669 1075477746 /nfs/dbraw/zinc/47/77/46/1075477746.db2.gz VJCLFEHHFANBPS-HOTGVXAUSA-N 2 1 392.504 -1.292 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)CC[C@H]21 ZINC000868396672 1075477681 /nfs/dbraw/zinc/47/76/81/1075477681.db2.gz VJCLFEHHFANBPS-HZPDHXFCSA-N 2 1 392.504 -1.292 20 0 GAADMP C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)CC[C@H]21 ZINC000868396674 1075477730 /nfs/dbraw/zinc/47/77/30/1075477730.db2.gz VJCLFEHHFANBPS-JKSUJKDBSA-N 2 1 392.504 -1.292 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[C@H](C)[N@@H+]1C ZINC000868410074 1075477700 /nfs/dbraw/zinc/47/77/00/1075477700.db2.gz AULWGNXMHSKDHX-KHMAMNHCSA-N 2 1 379.461 -1.069 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[C@H](C)[N@H+]1C ZINC000868410074 1075477697 /nfs/dbraw/zinc/47/76/97/1075477697.db2.gz AULWGNXMHSKDHX-KHMAMNHCSA-N 2 1 379.461 -1.069 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[C@H](C)[N@@H+]1C ZINC000868410078 1075477711 /nfs/dbraw/zinc/47/77/11/1075477711.db2.gz AULWGNXMHSKDHX-ZQNQSHIBSA-N 2 1 379.461 -1.069 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C[C@H](C)[N@H+]1C ZINC000868410078 1075477709 /nfs/dbraw/zinc/47/77/09/1075477709.db2.gz AULWGNXMHSKDHX-ZQNQSHIBSA-N 2 1 379.461 -1.069 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)CC[C@@H]21 ZINC000868411650 1075477715 /nfs/dbraw/zinc/47/77/15/1075477715.db2.gz ZGALMYSTVWZHKI-CWVYHPPDSA-N 2 1 391.472 -1.068 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)CC[C@H]21 ZINC000868411651 1075477691 /nfs/dbraw/zinc/47/76/91/1075477691.db2.gz ZGALMYSTVWZHKI-JKJDWNRSSA-N 2 1 391.472 -1.068 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)CC[C@@H]21 ZINC000868411652 1075477720 /nfs/dbraw/zinc/47/77/20/1075477720.db2.gz ZGALMYSTVWZHKI-LJIZCISZSA-N 2 1 391.472 -1.068 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)CC[C@H]21 ZINC000868411653 1075477780 /nfs/dbraw/zinc/47/77/80/1075477780.db2.gz ZGALMYSTVWZHKI-QCODTGAPSA-N 2 1 391.472 -1.068 20 0 GAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000868411800 1075477764 /nfs/dbraw/zinc/47/77/64/1075477764.db2.gz WUSIXVFXVWEUOZ-KFWWJZLASA-N 2 1 379.461 -1.068 20 0 GAADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000868411801 1075477775 /nfs/dbraw/zinc/47/77/75/1075477775.db2.gz WUSIXVFXVWEUOZ-ZNMIVQPWSA-N 2 1 379.461 -1.068 20 0 GAADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C2)C1 ZINC000868412034 1075477740 /nfs/dbraw/zinc/47/77/40/1075477740.db2.gz JSSONXRHBQYDMD-BKEDOTJMSA-N 2 1 391.472 -1.066 20 0 GAADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C2)C1 ZINC000868412035 1075477756 /nfs/dbraw/zinc/47/77/56/1075477756.db2.gz JSSONXRHBQYDMD-CUYVQJCZSA-N 2 1 391.472 -1.066 20 0 GAADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C2)C1 ZINC000868412036 1075477786 /nfs/dbraw/zinc/47/77/86/1075477786.db2.gz JSSONXRHBQYDMD-QCUYGVNKSA-N 2 1 391.472 -1.066 20 0 GAADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C2)C1 ZINC000868412037 1075478222 /nfs/dbraw/zinc/47/82/22/1075478222.db2.gz JSSONXRHBQYDMD-YGTYGHESSA-N 2 1 391.472 -1.066 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872192389 1075481189 /nfs/dbraw/zinc/48/11/89/1075481189.db2.gz VBIRGQDNXWOKGW-QMTMVMCOSA-N 2 1 377.489 -1.181 20 0 GAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000872192390 1075481459 /nfs/dbraw/zinc/48/14/59/1075481459.db2.gz VBIRGQDNXWOKGW-YZVOILCLSA-N 2 1 377.489 -1.181 20 0 GAADMP CN1C(=O)[C@H]2C[NH+](CCOCC[N@@H+]3C[C@@H]4C(=O)N(C)C(=O)[C@@H]4C3)C[C@H]2C1=O ZINC000879534244 1075487392 /nfs/dbraw/zinc/48/73/92/1075487392.db2.gz MXPQOGGNPCJDTE-KPWCQOOUSA-N 2 1 378.429 -1.904 20 0 GAADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1(C)C ZINC000883642746 1075489079 /nfs/dbraw/zinc/48/90/79/1075489079.db2.gz UKUDJGBDJSRWJT-MCIONIFRSA-N 2 1 379.461 -1.068 20 0 GAADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1(C)C ZINC000883642746 1075489075 /nfs/dbraw/zinc/48/90/75/1075489075.db2.gz UKUDJGBDJSRWJT-MCIONIFRSA-N 2 1 379.461 -1.068 20 0 GAADMP C[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1(C)C ZINC000883642747 1075489037 /nfs/dbraw/zinc/48/90/37/1075489037.db2.gz UKUDJGBDJSRWJT-MJBXVCDLSA-N 2 1 379.461 -1.068 20 0 GAADMP C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1(C)C ZINC000883642747 1075489033 /nfs/dbraw/zinc/48/90/33/1075489033.db2.gz UKUDJGBDJSRWJT-MJBXVCDLSA-N 2 1 379.461 -1.068 20 0 GAADMP CCN1CC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000883893704 1075489801 /nfs/dbraw/zinc/48/98/01/1075489801.db2.gz PLQGTADJEPKOHB-HNNXBMFYSA-N 2 1 388.538 -1.100 20 0 GAADMP CCN1CC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000883893705 1075489828 /nfs/dbraw/zinc/48/98/28/1075489828.db2.gz PLQGTADJEPKOHB-OAHLLOKOSA-N 2 1 388.538 -1.100 20 0 GAADMP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000884344258 1075507180 /nfs/dbraw/zinc/50/71/80/1075507180.db2.gz BAEGDCHFGJBRCU-UHFFFAOYSA-N 2 1 394.501 -1.449 20 0 GAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884554919 1075508234 /nfs/dbraw/zinc/50/82/34/1075508234.db2.gz GIYFGVPBYSAUGE-BTAUDXDXSA-N 2 1 391.472 -1.021 20 0 GAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884554920 1075508153 /nfs/dbraw/zinc/50/81/53/1075508153.db2.gz GIYFGVPBYSAUGE-CHUNWDLHSA-N 2 1 391.472 -1.021 20 0 GAADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884554921 1075508218 /nfs/dbraw/zinc/50/82/18/1075508218.db2.gz GIYFGVPBYSAUGE-JZYAIQKZSA-N 2 1 391.472 -1.021 20 0 GAADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884554922 1075508281 /nfs/dbraw/zinc/50/82/81/1075508281.db2.gz GIYFGVPBYSAUGE-ZIRHEVKLSA-N 2 1 391.472 -1.021 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000884559027 1075508311 /nfs/dbraw/zinc/50/83/11/1075508311.db2.gz KLIZYSOHRQYZTG-NEPJUHHUSA-N 2 1 393.410 -1.138 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000884559028 1075508249 /nfs/dbraw/zinc/50/82/49/1075508249.db2.gz KLIZYSOHRQYZTG-NWDGAFQWSA-N 2 1 393.410 -1.138 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000884559029 1075508141 /nfs/dbraw/zinc/50/81/41/1075508141.db2.gz KLIZYSOHRQYZTG-RYUDHWBXSA-N 2 1 393.410 -1.138 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000884559030 1075508209 /nfs/dbraw/zinc/50/82/09/1075508209.db2.gz KLIZYSOHRQYZTG-VXGBXAGGSA-N 2 1 393.410 -1.138 20 0 GAADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000884601386 1075508503 /nfs/dbraw/zinc/50/85/03/1075508503.db2.gz KBIPHLCUYYMTDA-KFWWJZLASA-N 2 1 379.461 -1.020 20 0 GAADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CC1 ZINC000884601387 1075508419 /nfs/dbraw/zinc/50/84/19/1075508419.db2.gz KBIPHLCUYYMTDA-ZNMIVQPWSA-N 2 1 379.461 -1.020 20 0 GAADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@@H+](C)C1CC1 ZINC000884617735 1075508446 /nfs/dbraw/zinc/50/84/46/1075508446.db2.gz RUVLDNOKBWDVLY-BEAPCOKYSA-N 2 1 379.461 -1.021 20 0 GAADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@@H+](C)C1CC1 ZINC000884617736 1075508433 /nfs/dbraw/zinc/50/84/33/1075508433.db2.gz RUVLDNOKBWDVLY-MHEUCROKSA-N 2 1 379.461 -1.021 20 0 GAADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@@H+](C)C1CC1 ZINC000884617737 1075508471 /nfs/dbraw/zinc/50/84/71/1075508471.db2.gz RUVLDNOKBWDVLY-MYPMTAMASA-N 2 1 379.461 -1.021 20 0 GAADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@@H+](C)C1CC1 ZINC000884617738 1075508516 /nfs/dbraw/zinc/50/85/16/1075508516.db2.gz RUVLDNOKBWDVLY-NGFQHRJXSA-N 2 1 379.461 -1.021 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884631550 1075508424 /nfs/dbraw/zinc/50/84/24/1075508424.db2.gz NZVFTJFBFMTSEH-FPCVCCKLSA-N 2 1 391.472 -1.020 20 0 GAADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884631551 1075508413 /nfs/dbraw/zinc/50/84/13/1075508413.db2.gz NZVFTJFBFMTSEH-JJXSEGSLSA-N 2 1 391.472 -1.020 20 0 GAADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884631552 1075508485 /nfs/dbraw/zinc/50/84/85/1075508485.db2.gz NZVFTJFBFMTSEH-JONQDZQNSA-N 2 1 391.472 -1.020 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000884631553 1075508710 /nfs/dbraw/zinc/50/87/10/1075508710.db2.gz NZVFTJFBFMTSEH-QXSJWSMHSA-N 2 1 391.472 -1.020 20 0 GAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884678157 1075508748 /nfs/dbraw/zinc/50/87/48/1075508748.db2.gz QJEIVJQTPYVQFT-KRWDZBQOSA-N 2 1 396.536 -2.079 20 0 GAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884678157 1075508742 /nfs/dbraw/zinc/50/87/42/1075508742.db2.gz QJEIVJQTPYVQFT-KRWDZBQOSA-N 2 1 396.536 -2.079 20 0 GAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884678158 1075508840 /nfs/dbraw/zinc/50/88/40/1075508840.db2.gz QJEIVJQTPYVQFT-QGZVFWFLSA-N 2 1 396.536 -2.079 20 0 GAADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884678158 1075508837 /nfs/dbraw/zinc/50/88/37/1075508837.db2.gz QJEIVJQTPYVQFT-QGZVFWFLSA-N 2 1 396.536 -2.079 20 0 GAADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCNCC2)C[C@H]1C[NH+](C)C ZINC000884679382 1075508863 /nfs/dbraw/zinc/50/88/63/1075508863.db2.gz GKKCEKPMSLFKSY-HUUCEWRRSA-N 2 1 382.509 -2.268 20 0 GAADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884723696 1075508890 /nfs/dbraw/zinc/50/88/90/1075508890.db2.gz VRGKTBYLJVHTGA-DLBZAZTESA-N 2 1 397.520 -1.606 20 0 GAADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884723696 1075508888 /nfs/dbraw/zinc/50/88/88/1075508888.db2.gz VRGKTBYLJVHTGA-DLBZAZTESA-N 2 1 397.520 -1.606 20 0 GAADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884723697 1075508873 /nfs/dbraw/zinc/50/88/73/1075508873.db2.gz VRGKTBYLJVHTGA-IAGOWNOFSA-N 2 1 397.520 -1.606 20 0 GAADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884723697 1075508870 /nfs/dbraw/zinc/50/88/70/1075508870.db2.gz VRGKTBYLJVHTGA-IAGOWNOFSA-N 2 1 397.520 -1.606 20 0 GAADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884723698 1075508673 /nfs/dbraw/zinc/50/86/73/1075508673.db2.gz VRGKTBYLJVHTGA-IRXDYDNUSA-N 2 1 397.520 -1.606 20 0 GAADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884723698 1075508668 /nfs/dbraw/zinc/50/86/68/1075508668.db2.gz VRGKTBYLJVHTGA-IRXDYDNUSA-N 2 1 397.520 -1.606 20 0 GAADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884723699 1075508653 /nfs/dbraw/zinc/50/86/53/1075508653.db2.gz VRGKTBYLJVHTGA-SJORKVTESA-N 2 1 397.520 -1.606 20 0 GAADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884723699 1075508645 /nfs/dbraw/zinc/50/86/45/1075508645.db2.gz VRGKTBYLJVHTGA-SJORKVTESA-N 2 1 397.520 -1.606 20 0 GAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000884787347 1075508794 /nfs/dbraw/zinc/50/87/94/1075508794.db2.gz OQTHGRATYKVRPT-BARDWOONSA-N 2 1 379.461 -1.020 20 0 GAADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000884787348 1075509066 /nfs/dbraw/zinc/50/90/66/1075509066.db2.gz OQTHGRATYKVRPT-TUVASFSCSA-N 2 1 379.461 -1.020 20 0 GAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000884787349 1075509051 /nfs/dbraw/zinc/50/90/51/1075509051.db2.gz OQTHGRATYKVRPT-XQLPTFJDSA-N 2 1 379.461 -1.020 20 0 GAADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000884787350 1075509082 /nfs/dbraw/zinc/50/90/82/1075509082.db2.gz OQTHGRATYKVRPT-YJNKXOJESA-N 2 1 379.461 -1.020 20 0 GAADMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884791363 1075509123 /nfs/dbraw/zinc/50/91/23/1075509123.db2.gz UIWOMBJXPMGGLJ-KOHRHEQBSA-N 2 1 379.505 -1.233 20 0 GAADMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884791363 1075509118 /nfs/dbraw/zinc/50/91/18/1075509118.db2.gz UIWOMBJXPMGGLJ-KOHRHEQBSA-N 2 1 379.505 -1.233 20 0 GAADMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884791364 1075509183 /nfs/dbraw/zinc/50/91/83/1075509183.db2.gz UIWOMBJXPMGGLJ-WUJZJPHMSA-N 2 1 379.505 -1.233 20 0 GAADMP O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884791364 1075509178 /nfs/dbraw/zinc/50/91/78/1075509178.db2.gz UIWOMBJXPMGGLJ-WUJZJPHMSA-N 2 1 379.505 -1.233 20 0 GAADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[C@H]1F ZINC000885223779 1075509162 /nfs/dbraw/zinc/50/91/62/1075509162.db2.gz IGSCTMGLGVNGHO-ARFHVFGLSA-N 2 1 385.484 -1.203 20 0 GAADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[C@H]1F ZINC000885223779 1075509156 /nfs/dbraw/zinc/50/91/56/1075509156.db2.gz IGSCTMGLGVNGHO-ARFHVFGLSA-N 2 1 385.484 -1.203 20 0 GAADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[C@H]1F ZINC000885223794 1075509532 /nfs/dbraw/zinc/50/95/32/1075509532.db2.gz IGSCTMGLGVNGHO-BZUAXINKSA-N 2 1 385.484 -1.203 20 0 GAADMP [NH3+][C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)CC[C@H]1F ZINC000885223794 1075509528 /nfs/dbraw/zinc/50/95/28/1075509528.db2.gz IGSCTMGLGVNGHO-BZUAXINKSA-N 2 1 385.484 -1.203 20 0 GAADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000885223853 1075509572 /nfs/dbraw/zinc/50/95/72/1075509572.db2.gz IZDHOYZCVPCMAR-IKGGRYGDSA-N 2 1 379.505 -1.281 20 0 GAADMP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000885223853 1075509569 /nfs/dbraw/zinc/50/95/69/1075509569.db2.gz IZDHOYZCVPCMAR-IKGGRYGDSA-N 2 1 379.505 -1.281 20 0 GAADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000885224049 1075509667 /nfs/dbraw/zinc/50/96/67/1075509667.db2.gz IZDHOYZCVPCMAR-ZACQAIPSSA-N 2 1 379.505 -1.281 20 0 GAADMP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000885224049 1075509666 /nfs/dbraw/zinc/50/96/66/1075509666.db2.gz IZDHOYZCVPCMAR-ZACQAIPSSA-N 2 1 379.505 -1.281 20 0 GAADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885224152 1075509491 /nfs/dbraw/zinc/50/94/91/1075509491.db2.gz JVKXHQCDJYZFPN-YESZJQIVSA-N 2 1 379.505 -1.138 20 0 GAADMP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885224152 1075509486 /nfs/dbraw/zinc/50/94/86/1075509486.db2.gz JVKXHQCDJYZFPN-YESZJQIVSA-N 2 1 379.505 -1.138 20 0 GAADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885224155 1075509446 /nfs/dbraw/zinc/50/94/46/1075509446.db2.gz JVKXHQCDJYZFPN-ZACQAIPSSA-N 2 1 379.505 -1.138 20 0 GAADMP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000885224155 1075509441 /nfs/dbraw/zinc/50/94/41/1075509441.db2.gz JVKXHQCDJYZFPN-ZACQAIPSSA-N 2 1 379.505 -1.138 20 0 GAADMP CN1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC000885224237 1075509591 /nfs/dbraw/zinc/50/95/91/1075509591.db2.gz KKIGXIHGTVHNFB-DLBZAZTESA-N 2 1 396.536 -2.000 20 0 GAADMP CN1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC000885224237 1075509585 /nfs/dbraw/zinc/50/95/85/1075509585.db2.gz KKIGXIHGTVHNFB-DLBZAZTESA-N 2 1 396.536 -2.000 20 0 GAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC000885224242 1075509654 /nfs/dbraw/zinc/50/96/54/1075509654.db2.gz KKIGXIHGTVHNFB-IAGOWNOFSA-N 2 1 396.536 -2.000 20 0 GAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@H](C[NH3+])C1 ZINC000885224242 1075509652 /nfs/dbraw/zinc/50/96/52/1075509652.db2.gz KKIGXIHGTVHNFB-IAGOWNOFSA-N 2 1 396.536 -2.000 20 0 GAADMP CN1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@@H](C[NH3+])C1 ZINC000885224246 1075509635 /nfs/dbraw/zinc/50/96/35/1075509635.db2.gz KKIGXIHGTVHNFB-IRXDYDNUSA-N 2 1 396.536 -2.000 20 0 GAADMP CN1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@@H](C[NH3+])C1 ZINC000885224246 1075509633 /nfs/dbraw/zinc/50/96/33/1075509633.db2.gz KKIGXIHGTVHNFB-IRXDYDNUSA-N 2 1 396.536 -2.000 20 0 GAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[C@@H](C[NH3+])C1 ZINC000885224249 1075509675 /nfs/dbraw/zinc/50/96/75/1075509675.db2.gz KKIGXIHGTVHNFB-SJORKVTESA-N 2 1 396.536 -2.000 20 0 GAADMP CN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)[C@@H](C[NH3+])C1 ZINC000885224249 1075509672 /nfs/dbraw/zinc/50/96/72/1075509672.db2.gz KKIGXIHGTVHNFB-SJORKVTESA-N 2 1 396.536 -2.000 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000885224268 1075509661 /nfs/dbraw/zinc/50/96/61/1075509661.db2.gz KQBGBYOZODVXAA-BRWVUGGUSA-N 2 1 381.521 -1.048 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000885224268 1075509659 /nfs/dbraw/zinc/50/96/59/1075509659.db2.gz KQBGBYOZODVXAA-BRWVUGGUSA-N 2 1 381.521 -1.048 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000885224276 1075509645 /nfs/dbraw/zinc/50/96/45/1075509645.db2.gz KQBGBYOZODVXAA-ZACQAIPSSA-N 2 1 381.521 -1.048 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC000885224276 1075509642 /nfs/dbraw/zinc/50/96/42/1075509642.db2.gz KQBGBYOZODVXAA-ZACQAIPSSA-N 2 1 381.521 -1.048 20 0 GAADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CCC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000885224388 1075509555 /nfs/dbraw/zinc/50/95/55/1075509555.db2.gz LUFDUIYHIPMXIJ-ABSDTBQOSA-N 2 1 393.532 -1.033 20 0 GAADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CCC[N@H+](CCN3CCOCC3)C1)C2 ZINC000885224388 1075509551 /nfs/dbraw/zinc/50/95/51/1075509551.db2.gz LUFDUIYHIPMXIJ-ABSDTBQOSA-N 2 1 393.532 -1.033 20 0 GAADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN3CCOCC3)C1)C2 ZINC000885224389 1075509628 /nfs/dbraw/zinc/50/96/28/1075509628.db2.gz LUFDUIYHIPMXIJ-SQGPQFPESA-N 2 1 393.532 -1.033 20 0 GAADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CCC[N@H+](CCN3CCOCC3)C1)C2 ZINC000885224389 1075509626 /nfs/dbraw/zinc/50/96/26/1075509626.db2.gz LUFDUIYHIPMXIJ-SQGPQFPESA-N 2 1 393.532 -1.033 20 0 GAADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885224464 1075509682 /nfs/dbraw/zinc/50/96/82/1075509682.db2.gz OACWRXBMQMVUBE-BBWFWOEESA-N 2 1 379.505 -1.423 20 0 GAADMP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885224464 1075509679 /nfs/dbraw/zinc/50/96/79/1075509679.db2.gz OACWRXBMQMVUBE-BBWFWOEESA-N 2 1 379.505 -1.423 20 0 GAADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885224466 1075509602 /nfs/dbraw/zinc/50/96/02/1075509602.db2.gz OACWRXBMQMVUBE-IXDOHACOSA-N 2 1 379.505 -1.423 20 0 GAADMP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000885224466 1075509599 /nfs/dbraw/zinc/50/95/99/1075509599.db2.gz OACWRXBMQMVUBE-IXDOHACOSA-N 2 1 379.505 -1.423 20 0 GAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885225117 1075509618 /nfs/dbraw/zinc/50/96/18/1075509618.db2.gz YQJOYSGLNABCHM-KOHRHEQBSA-N 2 1 379.505 -1.151 20 0 GAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885225117 1075509615 /nfs/dbraw/zinc/50/96/15/1075509615.db2.gz YQJOYSGLNABCHM-KOHRHEQBSA-N 2 1 379.505 -1.151 20 0 GAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000885225118 1075509514 /nfs/dbraw/zinc/50/95/14/1075509514.db2.gz YQJOYSGLNABCHM-WUJZJPHMSA-N 2 1 379.505 -1.151 20 0 GAADMP [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000885225118 1075509510 /nfs/dbraw/zinc/50/95/10/1075509510.db2.gz YQJOYSGLNABCHM-WUJZJPHMSA-N 2 1 379.505 -1.151 20 0 GAADMP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891972015 1073582082 /nfs/dbraw/zinc/58/20/82/1073582082.db2.gz WCYFFTIUISHWMF-INIZCTEOSA-N 2 1 382.509 -1.486 20 0 GAADMP O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000891972016 1073581955 /nfs/dbraw/zinc/58/19/55/1073581955.db2.gz WCYFFTIUISHWMF-MRXNPFEDSA-N 2 1 382.509 -1.486 20 0 GAADMP CN(C(=O)C(=O)NCCN1CCNC1=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000898696516 1074395826 /nfs/dbraw/zinc/39/58/26/1074395826.db2.gz WFXCQHXFXFFBIA-HNNXBMFYSA-N 2 1 380.493 -1.245 20 0 GAADMP CN(C(=O)C(=O)NCCN1CCNC1=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000898696517 1074395761 /nfs/dbraw/zinc/39/57/61/1074395761.db2.gz WFXCQHXFXFFBIA-OAHLLOKOSA-N 2 1 380.493 -1.245 20 0 GAADMP C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000900611964 1073431094 /nfs/dbraw/zinc/43/10/94/1073431094.db2.gz GTDIIEGCVOMXQC-INIZCTEOSA-N 2 1 394.520 -1.092 20 0 GAADMP C[NH+](C)CCN1C[C@H](C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1=O ZINC000900611965 1073431362 /nfs/dbraw/zinc/43/13/62/1073431362.db2.gz GTDIIEGCVOMXQC-MRXNPFEDSA-N 2 1 394.520 -1.092 20 0 GAADMP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CCN1C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900708165 1074422409 /nfs/dbraw/zinc/42/24/09/1074422409.db2.gz AORCVCWJWDGRAP-FLKCQLHMSA-N 2 1 382.505 -1.044 20 0 GAADMP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CCN1C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900708165 1074422405 /nfs/dbraw/zinc/42/24/05/1074422405.db2.gz AORCVCWJWDGRAP-FLKCQLHMSA-N 2 1 382.505 -1.044 20 0 GAADMP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CCN1C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900708165 1074422402 /nfs/dbraw/zinc/42/24/02/1074422402.db2.gz AORCVCWJWDGRAP-FLKCQLHMSA-N 2 1 382.505 -1.044 20 0 GAADMP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CCN1C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900708166 1073431949 /nfs/dbraw/zinc/43/19/49/1073431949.db2.gz AORCVCWJWDGRAP-IJCKYZCQSA-N 2 1 382.505 -1.044 20 0 GAADMP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CCN1C(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000900708166 1073431940 /nfs/dbraw/zinc/43/19/40/1073431940.db2.gz AORCVCWJWDGRAP-IJCKYZCQSA-N 2 1 382.505 -1.044 20 0 GAADMP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CCN1C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900708166 1073431933 /nfs/dbraw/zinc/43/19/33/1073431933.db2.gz AORCVCWJWDGRAP-IJCKYZCQSA-N 2 1 382.505 -1.044 20 0 GAADMP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CCN1C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900708167 1073431896 /nfs/dbraw/zinc/43/18/96/1073431896.db2.gz AORCVCWJWDGRAP-MXJLVENISA-N 2 1 382.505 -1.044 20 0 GAADMP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CCN1C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900708167 1073431880 /nfs/dbraw/zinc/43/18/80/1073431880.db2.gz AORCVCWJWDGRAP-MXJLVENISA-N 2 1 382.505 -1.044 20 0 GAADMP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CCN1C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900708167 1073431852 /nfs/dbraw/zinc/43/18/52/1073431852.db2.gz AORCVCWJWDGRAP-MXJLVENISA-N 2 1 382.505 -1.044 20 0 GAADMP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CCN1C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900708168 1073431787 /nfs/dbraw/zinc/43/17/87/1073431787.db2.gz AORCVCWJWDGRAP-UNTXSKPGSA-N 2 1 382.505 -1.044 20 0 GAADMP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CCN1C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900708168 1073431778 /nfs/dbraw/zinc/43/17/78/1073431778.db2.gz AORCVCWJWDGRAP-UNTXSKPGSA-N 2 1 382.505 -1.044 20 0 GAADMP C[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CCN1C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900708168 1073431767 /nfs/dbraw/zinc/43/17/67/1073431767.db2.gz AORCVCWJWDGRAP-UNTXSKPGSA-N 2 1 382.505 -1.044 20 0 GAADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900824393 1073433804 /nfs/dbraw/zinc/43/38/04/1073433804.db2.gz LBHJREJAHHHXFE-FDCRZUCXSA-N 2 1 382.505 -1.043 20 0 GAADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900824393 1073433799 /nfs/dbraw/zinc/43/37/99/1073433799.db2.gz LBHJREJAHHHXFE-FDCRZUCXSA-N 2 1 382.505 -1.043 20 0 GAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900824393 1073433791 /nfs/dbraw/zinc/43/37/91/1073433791.db2.gz LBHJREJAHHHXFE-FDCRZUCXSA-N 2 1 382.505 -1.043 20 0 GAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900824397 1073433656 /nfs/dbraw/zinc/43/36/56/1073433656.db2.gz LBHJREJAHHHXFE-OHDICMOHSA-N 2 1 382.505 -1.043 20 0 GAADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900824399 1073434048 /nfs/dbraw/zinc/43/40/48/1073434048.db2.gz LBHJREJAHHHXFE-RGCFKVTRSA-N 2 1 382.505 -1.043 20 0 GAADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900824399 1073434035 /nfs/dbraw/zinc/43/40/35/1073434035.db2.gz LBHJREJAHHHXFE-RGCFKVTRSA-N 2 1 382.505 -1.043 20 0 GAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900824399 1073434031 /nfs/dbraw/zinc/43/40/31/1073434031.db2.gz LBHJREJAHHHXFE-RGCFKVTRSA-N 2 1 382.505 -1.043 20 0 GAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900824400 1073433959 /nfs/dbraw/zinc/43/39/59/1073433959.db2.gz LBHJREJAHHHXFE-WTLGNFPFSA-N 2 1 382.505 -1.043 20 0 GAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900824400 1073433951 /nfs/dbraw/zinc/43/39/51/1073433951.db2.gz LBHJREJAHHHXFE-WTLGNFPFSA-N 2 1 382.505 -1.043 20 0 GAADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900824400 1073433938 /nfs/dbraw/zinc/43/39/38/1073433938.db2.gz LBHJREJAHHHXFE-WTLGNFPFSA-N 2 1 382.505 -1.043 20 0 GAADMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)N1CCN(CC(=O)N(C)C)CC1)C2 ZINC000903493754 1073448499 /nfs/dbraw/zinc/44/84/99/1073448499.db2.gz WLZJVMMVCPNVIO-KHYOSLBOSA-N 2 1 395.504 -1.569 20 0 GAADMP Cn1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(=O)n(C)c1=O ZINC000903561560 1073449391 /nfs/dbraw/zinc/44/93/91/1073449391.db2.gz JNUAEKNHMZZQKX-OKILXGFUSA-N 2 1 397.501 -1.327 20 0 GAADMP Cn1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c(=O)n(C)c1=O ZINC000903561560 1073449376 /nfs/dbraw/zinc/44/93/76/1073449376.db2.gz JNUAEKNHMZZQKX-OKILXGFUSA-N 2 1 397.501 -1.327 20 0 GAADMP CN1CCN(S(=O)(=O)N2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903723136 1073450165 /nfs/dbraw/zinc/45/01/65/1073450165.db2.gz UVYPTXLLUBDYBV-DLBZAZTESA-N 2 1 387.550 -1.135 20 0 GAADMP CN1CCN(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903723139 1073450062 /nfs/dbraw/zinc/45/00/62/1073450062.db2.gz UVYPTXLLUBDYBV-IAGOWNOFSA-N 2 1 387.550 -1.135 20 0 GAADMP CN1CCN(S(=O)(=O)N2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903723140 1073450026 /nfs/dbraw/zinc/45/00/26/1073450026.db2.gz UVYPTXLLUBDYBV-IRXDYDNUSA-N 2 1 387.550 -1.135 20 0 GAADMP CN1CCN(S(=O)(=O)N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903723303 1073450077 /nfs/dbraw/zinc/45/00/77/1073450077.db2.gz UVYPTXLLUBDYBV-SJORKVTESA-N 2 1 387.550 -1.135 20 0 GAADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCN2CCOC[C@H]2C1 ZINC000903744797 1073450863 /nfs/dbraw/zinc/45/08/63/1073450863.db2.gz QNBNCHOAQHKAAK-FGTMMUONSA-N 2 1 391.516 -1.043 20 0 GAADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCN2CCOC[C@H]2C1 ZINC000903744797 1073450858 /nfs/dbraw/zinc/45/08/58/1073450858.db2.gz QNBNCHOAQHKAAK-FGTMMUONSA-N 2 1 391.516 -1.043 20 0 GAADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCN2CCOC[C@@H]2C1 ZINC000903744798 1073450880 /nfs/dbraw/zinc/45/08/80/1073450880.db2.gz QNBNCHOAQHKAAK-KSZLIROESA-N 2 1 391.516 -1.043 20 0 GAADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCN2CCOC[C@@H]2C1 ZINC000903744798 1073450875 /nfs/dbraw/zinc/45/08/75/1073450875.db2.gz QNBNCHOAQHKAAK-KSZLIROESA-N 2 1 391.516 -1.043 20 0 GAADMP CNC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCO1 ZINC000903758957 1073450725 /nfs/dbraw/zinc/45/07/25/1073450725.db2.gz LRFHYRCHYRYRNI-OWCLPIDISA-N 2 1 393.488 -1.613 20 0 GAADMP CNC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCO1 ZINC000903758957 1073450713 /nfs/dbraw/zinc/45/07/13/1073450713.db2.gz LRFHYRCHYRYRNI-OWCLPIDISA-N 2 1 393.488 -1.613 20 0 GAADMP CNC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCO1 ZINC000903758958 1073450888 /nfs/dbraw/zinc/45/08/88/1073450888.db2.gz LRFHYRCHYRYRNI-XHSDSOJGSA-N 2 1 393.488 -1.613 20 0 GAADMP CNC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCO1 ZINC000903758958 1073450885 /nfs/dbraw/zinc/45/08/85/1073450885.db2.gz LRFHYRCHYRYRNI-XHSDSOJGSA-N 2 1 393.488 -1.613 20 0 GAADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000903771647 1073450931 /nfs/dbraw/zinc/45/09/31/1073450931.db2.gz OATWAPZZIDVPSP-XWTMOSNGSA-N 3 1 391.516 -1.309 20 0 GAADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC000903778413 1073450769 /nfs/dbraw/zinc/45/07/69/1073450769.db2.gz NKGKFTIPQBQVNP-RYQLBKOJSA-N 2 1 393.532 -1.061 20 0 GAADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC000903778413 1073450760 /nfs/dbraw/zinc/45/07/60/1073450760.db2.gz NKGKFTIPQBQVNP-RYQLBKOJSA-N 2 1 393.532 -1.061 20 0 GAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)C[C@]2(C)C1 ZINC000904957522 1074450990 /nfs/dbraw/zinc/45/09/90/1074450990.db2.gz ZEUGHYJGOREQSM-DYVFJYSZSA-N 2 1 399.517 -2.158 20 0 GAADMP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC(S(=O)(=O)N4CC[NH2+]CC4)C3)C[C@]2(C)C1 ZINC000904957522 1074450986 /nfs/dbraw/zinc/45/09/86/1074450986.db2.gz ZEUGHYJGOREQSM-DYVFJYSZSA-N 2 1 399.517 -2.158 20 0 GAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)C[C@]2(C)C1 ZINC000904958181 1074451013 /nfs/dbraw/zinc/45/10/13/1074451013.db2.gz FLYSTTXIZQWPJK-CLCXKQKWSA-N 2 1 377.489 -1.181 20 0 GAADMP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)C[C@]2(C)C1 ZINC000904958181 1074451007 /nfs/dbraw/zinc/45/10/07/1074451007.db2.gz FLYSTTXIZQWPJK-CLCXKQKWSA-N 2 1 377.489 -1.181 20 0 GAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)C[C@]2(C)C1 ZINC000904958187 1074451698 /nfs/dbraw/zinc/45/16/98/1074451698.db2.gz FLYSTTXIZQWPJK-VCBZYWHSSA-N 2 1 377.489 -1.181 20 0 GAADMP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCC[C@H](N4CC[NH2+]CC4=O)C3)C[C@]2(C)C1 ZINC000904958187 1074451695 /nfs/dbraw/zinc/45/16/95/1074451695.db2.gz FLYSTTXIZQWPJK-VCBZYWHSSA-N 2 1 377.489 -1.181 20 0 GAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CCN(C(=O)N4CC[NH2+]CC4)CC3)C[C@]2(C)C1 ZINC000904960115 1074451663 /nfs/dbraw/zinc/45/16/63/1074451663.db2.gz HSTUMNADDJALHX-BEFAXECRSA-N 2 1 392.504 -1.434 20 0 GAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C[C@]2(C)C1 ZINC000904960400 1074451654 /nfs/dbraw/zinc/45/16/54/1074451654.db2.gz XAIBAKHDLSIRHS-GELUBGBASA-N 2 1 391.472 -1.210 20 0 GAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C[C@]2(C)C1 ZINC000904960402 1074451714 /nfs/dbraw/zinc/45/17/14/1074451714.db2.gz XAIBAKHDLSIRHS-SXPCIFIFSA-N 2 1 391.472 -1.210 20 0 GAADMP CN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C1(C[NH3+])CCOCC1 ZINC000904971986 1074451062 /nfs/dbraw/zinc/45/10/62/1074451062.db2.gz SLUOEISFOZACHQ-HNNXBMFYSA-N 2 1 395.504 -1.282 20 0 GAADMP CN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C1(C[NH3+])CCOCC1 ZINC000904972005 1074451043 /nfs/dbraw/zinc/45/10/43/1074451043.db2.gz SLUOEISFOZACHQ-OAHLLOKOSA-N 2 1 395.504 -1.282 20 0 GAADMP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000904986758 1074453607 /nfs/dbraw/zinc/45/36/07/1074453607.db2.gz LMFHALBZRKRLJL-BBWFWOEESA-N 2 1 379.505 -1.450 20 0 GAADMP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000904986759 1074453449 /nfs/dbraw/zinc/45/34/49/1074453449.db2.gz LMFHALBZRKRLJL-BRWVUGGUSA-N 2 1 379.505 -1.450 20 0 GAADMP O=C(C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000904986760 1074453423 /nfs/dbraw/zinc/45/34/23/1074453423.db2.gz LMFHALBZRKRLJL-GVDBMIGSSA-N 2 1 379.505 -1.450 20 0 GAADMP O=C(C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000904986761 1074453513 /nfs/dbraw/zinc/45/35/13/1074453513.db2.gz LMFHALBZRKRLJL-ZACQAIPSSA-N 2 1 379.505 -1.450 20 0 GAADMP O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904989690 1074454021 /nfs/dbraw/zinc/45/40/21/1074454021.db2.gz NHQQXVFJTRFSIS-BBWFWOEESA-N 2 1 379.505 -1.450 20 0 GAADMP O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904989691 1074454047 /nfs/dbraw/zinc/45/40/47/1074454047.db2.gz NHQQXVFJTRFSIS-BRWVUGGUSA-N 2 1 379.505 -1.450 20 0 GAADMP O=C(C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904989692 1074454214 /nfs/dbraw/zinc/45/42/14/1074454214.db2.gz NHQQXVFJTRFSIS-GVDBMIGSSA-N 2 1 379.505 -1.450 20 0 GAADMP O=C(C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904989693 1074454034 /nfs/dbraw/zinc/45/40/34/1074454034.db2.gz NHQQXVFJTRFSIS-ZACQAIPSSA-N 2 1 379.505 -1.450 20 0 GAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000904996925 1074451559 /nfs/dbraw/zinc/45/15/59/1074451559.db2.gz RYGZORPVUGEZPW-CVEARBPZSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000904996934 1074451678 /nfs/dbraw/zinc/45/16/78/1074451678.db2.gz RYGZORPVUGEZPW-HOTGVXAUSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000904996936 1074451638 /nfs/dbraw/zinc/45/16/38/1074451638.db2.gz RYGZORPVUGEZPW-HZPDHXFCSA-N 2 1 395.504 -1.412 20 0 GAADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000904996937 1074451723 /nfs/dbraw/zinc/45/17/23/1074451723.db2.gz RYGZORPVUGEZPW-JKSUJKDBSA-N 2 1 395.504 -1.412 20 0 GAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000905025013 1074454827 /nfs/dbraw/zinc/45/48/27/1074454827.db2.gz YFEJAHJVWUJEAW-CABCVRRESA-N 2 1 381.477 -1.802 20 0 GAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000905025020 1074454951 /nfs/dbraw/zinc/45/49/51/1074454951.db2.gz YFEJAHJVWUJEAW-GJZGRUSLSA-N 2 1 381.477 -1.802 20 0 GAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000905025022 1074454885 /nfs/dbraw/zinc/45/48/85/1074454885.db2.gz YFEJAHJVWUJEAW-HUUCEWRRSA-N 2 1 381.477 -1.802 20 0 GAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000905025024 1074454911 /nfs/dbraw/zinc/45/49/11/1074454911.db2.gz YFEJAHJVWUJEAW-LSDHHAIUSA-N 2 1 381.477 -1.802 20 0 GAADMP O=S(=O)(CCC[NH+]1CCCC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000905345839 637357205 /nfs/dbraw/zinc/35/72/05/637357205.db2.gz RUVIMPUIJDWKOK-UHFFFAOYSA-N 2 1 380.536 -1.279 20 0 GAADMP CC[C@H](CNC(=O)C1CN(C)CC[NH+](C)C1)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906570987 1074462134 /nfs/dbraw/zinc/46/21/34/1074462134.db2.gz KDIGHNTUJALHRZ-GOSISDBHSA-N 2 1 396.580 -1.016 20 0 GAADMP CC[C@H](CNC(=O)C1CN(C)CC[NH+](C)C1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906570987 1074462128 /nfs/dbraw/zinc/46/21/28/1074462128.db2.gz KDIGHNTUJALHRZ-GOSISDBHSA-N 2 1 396.580 -1.016 20 0 GAADMP CC[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906570987 1074462123 /nfs/dbraw/zinc/46/21/23/1074462123.db2.gz KDIGHNTUJALHRZ-GOSISDBHSA-N 2 1 396.580 -1.016 20 0 GAADMP CC[C@@H](CNC(=O)C1CN(C)CC[NH+](C)C1)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906570988 1074462030 /nfs/dbraw/zinc/46/20/30/1074462030.db2.gz KDIGHNTUJALHRZ-SFHVURJKSA-N 2 1 396.580 -1.016 20 0 GAADMP CC[C@@H](CNC(=O)C1CN(C)CC[NH+](C)C1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906570988 1074462023 /nfs/dbraw/zinc/46/20/23/1074462023.db2.gz KDIGHNTUJALHRZ-SFHVURJKSA-N 2 1 396.580 -1.016 20 0 GAADMP CC[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906570988 1074462020 /nfs/dbraw/zinc/46/20/20/1074462020.db2.gz KDIGHNTUJALHRZ-SFHVURJKSA-N 2 1 396.580 -1.016 20 0 GAADMP CN(CCN(C)C(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000907165655 1074463510 /nfs/dbraw/zinc/46/35/10/1074463510.db2.gz AFNCMGIMDSHZFI-UHFFFAOYSA-N 2 1 396.580 -1.110 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H](CO)NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000907350499 1074463960 /nfs/dbraw/zinc/46/39/60/1074463960.db2.gz FDBIJDAUPBPLSR-KRWDZBQOSA-N 2 1 398.552 -2.434 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)NC[C@@H](CO)NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000907350499 1074463955 /nfs/dbraw/zinc/46/39/55/1074463955.db2.gz FDBIJDAUPBPLSR-KRWDZBQOSA-N 2 1 398.552 -2.434 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)N[C@H](CO)CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000907350499 1074463949 /nfs/dbraw/zinc/46/39/49/1074463949.db2.gz FDBIJDAUPBPLSR-KRWDZBQOSA-N 2 1 398.552 -2.434 20 0 GAADMP CCN(CCNC(=O)C1CN(C)CC[NH+](C)C1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907575933 1074465094 /nfs/dbraw/zinc/46/50/94/1074465094.db2.gz WTYRGMRBESKNJC-UHFFFAOYSA-N 2 1 396.580 -1.062 20 0 GAADMP CCN(CCNC(=O)C1CN(C)CC[NH+](C)C1)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907575933 1074465089 /nfs/dbraw/zinc/46/50/89/1074465089.db2.gz WTYRGMRBESKNJC-UHFFFAOYSA-N 2 1 396.580 -1.062 20 0 GAADMP CCN(CCNC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000907575933 1074465084 /nfs/dbraw/zinc/46/50/84/1074465084.db2.gz WTYRGMRBESKNJC-UHFFFAOYSA-N 2 1 396.580 -1.062 20 0 GAADMP CN(CCNC(=O)C1CN(C)CC[NH+](C)C1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907605335 1074465246 /nfs/dbraw/zinc/46/52/46/1074465246.db2.gz LOJWFMRHTZGGCP-UHFFFAOYSA-N 2 1 382.553 -1.452 20 0 GAADMP CN(CCNC(=O)C1CN(C)CC[NH+](C)C1)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907605335 1074465240 /nfs/dbraw/zinc/46/52/40/1074465240.db2.gz LOJWFMRHTZGGCP-UHFFFAOYSA-N 2 1 382.553 -1.452 20 0 GAADMP CN(CCNC(=O)C1CN(C)CC[N@@H+](C)C1)C(=O)C1CN(C)CC[NH+](C)C1 ZINC000907605335 1074465236 /nfs/dbraw/zinc/46/52/36/1074465236.db2.gz LOJWFMRHTZGGCP-UHFFFAOYSA-N 2 1 382.553 -1.452 20 0 GAADMP C[C@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H](C)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907715399 1074466455 /nfs/dbraw/zinc/46/64/55/1074466455.db2.gz HVTDYQPNESWIIS-HOTGVXAUSA-N 2 1 396.580 -1.017 20 0 GAADMP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@@H](C)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907715402 1074466403 /nfs/dbraw/zinc/46/64/03/1074466403.db2.gz HVTDYQPNESWIIS-HZPDHXFCSA-N 2 1 396.580 -1.017 20 0 GAADMP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H](C)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907715404 1074466451 /nfs/dbraw/zinc/46/64/51/1074466451.db2.gz HVTDYQPNESWIIS-IYBDPMFKSA-N 2 1 396.580 -1.017 20 0 GAADMP C[C@@H](NC(=O)C1CN(C)CC[NH+](C)C1)[C@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907715404 1074466449 /nfs/dbraw/zinc/46/64/49/1074466449.db2.gz HVTDYQPNESWIIS-IYBDPMFKSA-N 2 1 396.580 -1.017 20 0 GAADMP C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H](C)NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907715404 1074466446 /nfs/dbraw/zinc/46/64/46/1074466446.db2.gz HVTDYQPNESWIIS-IYBDPMFKSA-N 2 1 396.580 -1.017 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)NCC2(NC(=O)C3CN(C)CC[N@@H+](C)C3)CC2)C1 ZINC000907794916 1074467195 /nfs/dbraw/zinc/46/71/95/1074467195.db2.gz USGINHNFJPZUED-UHFFFAOYSA-N 2 1 394.564 -1.262 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)NCC2(NC(=O)C3CN(C)CC[N@H+](C)C3)CC2)C1 ZINC000907794916 1074467193 /nfs/dbraw/zinc/46/71/93/1074467193.db2.gz USGINHNFJPZUED-UHFFFAOYSA-N 2 1 394.564 -1.262 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)NC2(CNC(=O)C3CN(C)CC[N@@H+](C)C3)CC2)C1 ZINC000907794916 1074467191 /nfs/dbraw/zinc/46/71/91/1074467191.db2.gz USGINHNFJPZUED-UHFFFAOYSA-N 2 1 394.564 -1.262 20 0 GAADMP CCN(C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000907881176 1074467155 /nfs/dbraw/zinc/46/71/55/1074467155.db2.gz CXMPJDAZMTZHTN-LNMJFAINSA-N 2 1 382.505 -1.044 20 0 GAADMP CCN(C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000907881176 1074467152 /nfs/dbraw/zinc/46/71/52/1074467152.db2.gz CXMPJDAZMTZHTN-LNMJFAINSA-N 2 1 382.505 -1.044 20 0 GAADMP CCN(C(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000907881176 1074467150 /nfs/dbraw/zinc/46/71/50/1074467150.db2.gz CXMPJDAZMTZHTN-LNMJFAINSA-N 2 1 382.505 -1.044 20 0 GAADMP CCN(C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000907881177 1074467211 /nfs/dbraw/zinc/46/72/11/1074467211.db2.gz CXMPJDAZMTZHTN-OHQAAIJDSA-N 2 1 382.505 -1.044 20 0 GAADMP CCN(C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000907881177 1074467207 /nfs/dbraw/zinc/46/72/07/1074467207.db2.gz CXMPJDAZMTZHTN-OHQAAIJDSA-N 2 1 382.505 -1.044 20 0 GAADMP CCN(C(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000907881177 1074467205 /nfs/dbraw/zinc/46/72/05/1074467205.db2.gz CXMPJDAZMTZHTN-OHQAAIJDSA-N 2 1 382.505 -1.044 20 0 GAADMP CCN(C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000907881178 1074467045 /nfs/dbraw/zinc/46/70/45/1074467045.db2.gz CXMPJDAZMTZHTN-PDWMJMLSSA-N 2 1 382.505 -1.044 20 0 GAADMP CCN(C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000907881178 1074467041 /nfs/dbraw/zinc/46/70/41/1074467041.db2.gz CXMPJDAZMTZHTN-PDWMJMLSSA-N 2 1 382.505 -1.044 20 0 GAADMP CCN(C(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C1 ZINC000907881178 1074467038 /nfs/dbraw/zinc/46/70/38/1074467038.db2.gz CXMPJDAZMTZHTN-PDWMJMLSSA-N 2 1 382.505 -1.044 20 0 GAADMP CCN(C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000907881179 1074467137 /nfs/dbraw/zinc/46/71/37/1074467137.db2.gz CXMPJDAZMTZHTN-SAKMYQHLSA-N 2 1 382.505 -1.044 20 0 GAADMP CCN(C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C1CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000907881179 1074467135 /nfs/dbraw/zinc/46/71/35/1074467135.db2.gz CXMPJDAZMTZHTN-SAKMYQHLSA-N 2 1 382.505 -1.044 20 0 GAADMP CCN(C(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C1 ZINC000907881179 1074467134 /nfs/dbraw/zinc/46/71/34/1074467134.db2.gz CXMPJDAZMTZHTN-SAKMYQHLSA-N 2 1 382.505 -1.044 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)NCCCNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000908152346 1074467682 /nfs/dbraw/zinc/46/76/82/1074467682.db2.gz GMWBWTMOOWRELO-UHFFFAOYSA-N 2 1 382.553 -1.404 20 0 GAADMP CC(CNC(=O)C1CN(C)CC[NH+](C)C1)CNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000908446996 1074468498 /nfs/dbraw/zinc/46/84/98/1074468498.db2.gz DUTUDAMJFYGLNG-UHFFFAOYSA-N 2 1 396.580 -1.158 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1=O ZINC000910921706 1074481801 /nfs/dbraw/zinc/48/18/01/1074481801.db2.gz ZUQQOOMYZWAGNB-CVEARBPZSA-N 2 1 395.504 -1.724 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1=O ZINC000910921707 1074481813 /nfs/dbraw/zinc/48/18/13/1074481813.db2.gz ZUQQOOMYZWAGNB-HOTGVXAUSA-N 2 1 395.504 -1.724 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1=O ZINC000910921708 1074481777 /nfs/dbraw/zinc/48/17/77/1074481777.db2.gz ZUQQOOMYZWAGNB-HZPDHXFCSA-N 2 1 395.504 -1.724 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1=O ZINC000910921709 1074481837 /nfs/dbraw/zinc/48/18/37/1074481837.db2.gz ZUQQOOMYZWAGNB-JKSUJKDBSA-N 2 1 395.504 -1.724 20 0 GAADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000910949559 1074482535 /nfs/dbraw/zinc/48/25/35/1074482535.db2.gz RMBYWCWQRXRNOZ-HNNXBMFYSA-N 2 1 383.493 -1.508 20 0 GAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000910949560 1074482518 /nfs/dbraw/zinc/48/25/18/1074482518.db2.gz RMBYWCWQRXRNOZ-OAHLLOKOSA-N 2 1 383.493 -1.508 20 0 GAADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000910975593 1074482550 /nfs/dbraw/zinc/48/25/50/1074482550.db2.gz FCMMNBNBMZTCJQ-GOSISDBHSA-N 2 1 389.500 -1.109 20 0 GAADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000910975594 1074482528 /nfs/dbraw/zinc/48/25/28/1074482528.db2.gz FCMMNBNBMZTCJQ-SFHVURJKSA-N 2 1 389.500 -1.109 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911029564 1074483857 /nfs/dbraw/zinc/48/38/57/1074483857.db2.gz CYSKLOSZPVHYPR-FGTMMUONSA-N 2 1 392.548 -1.224 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000911029569 1074483920 /nfs/dbraw/zinc/48/39/20/1074483920.db2.gz CYSKLOSZPVHYPR-KSZLIROESA-N 2 1 392.548 -1.224 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[NH2+]CCC23CCOCC3)CC1 ZINC000911150243 1074486274 /nfs/dbraw/zinc/48/62/74/1074486274.db2.gz VMADGRAEKSCUFC-UHFFFAOYSA-N 2 1 395.504 -1.362 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000911150318 1074486259 /nfs/dbraw/zinc/48/62/59/1074486259.db2.gz XOCDYQATWJSKHQ-GHMZBOCLSA-N 2 1 379.383 -1.385 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911186709 1074486148 /nfs/dbraw/zinc/48/61/48/1074486148.db2.gz LCDLRAATNAMKHV-HNNXBMFYSA-N 2 1 382.509 -1.933 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N1CCNCC[NH2+]CC1 ZINC000911186717 1074486299 /nfs/dbraw/zinc/48/62/99/1074486299.db2.gz LCDLRAATNAMKHV-OAHLLOKOSA-N 2 1 382.509 -1.933 20 0 GAADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911269083 1074486883 /nfs/dbraw/zinc/48/68/83/1074486883.db2.gz IGVPHTKGLDDCQG-INIZCTEOSA-N 2 1 382.553 -1.085 20 0 GAADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCCN2CCC([NH3+])CC2)CC1 ZINC000911269084 1074486926 /nfs/dbraw/zinc/48/69/26/1074486926.db2.gz IGVPHTKGLDDCQG-MRXNPFEDSA-N 2 1 382.553 -1.085 20 0 GAADMP CN1CCOC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911345254 1074489098 /nfs/dbraw/zinc/48/90/98/1074489098.db2.gz HIFULVDATKDGEB-BBWFWOEESA-N 2 1 379.505 -1.140 20 0 GAADMP CN1CCOC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911345254 1074489096 /nfs/dbraw/zinc/48/90/96/1074489096.db2.gz HIFULVDATKDGEB-BBWFWOEESA-N 2 1 379.505 -1.140 20 0 GAADMP CN1CCOC[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911345256 1074489128 /nfs/dbraw/zinc/48/91/28/1074489128.db2.gz HIFULVDATKDGEB-IXDOHACOSA-N 2 1 379.505 -1.140 20 0 GAADMP CN1CCOC[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911345256 1074489126 /nfs/dbraw/zinc/48/91/26/1074489126.db2.gz HIFULVDATKDGEB-IXDOHACOSA-N 2 1 379.505 -1.140 20 0 GAADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000911364482 1074488443 /nfs/dbraw/zinc/48/84/43/1074488443.db2.gz AAVNXZKUMZMULV-LTIDMASMSA-N 2 1 379.505 -1.092 20 0 GAADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000911364482 1074488438 /nfs/dbraw/zinc/48/84/38/1074488438.db2.gz AAVNXZKUMZMULV-LTIDMASMSA-N 2 1 379.505 -1.092 20 0 GAADMP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000911364484 1074488538 /nfs/dbraw/zinc/48/85/38/1074488538.db2.gz AAVNXZKUMZMULV-MWDXBVQZSA-N 2 1 379.505 -1.092 20 0 GAADMP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000911364484 1074488533 /nfs/dbraw/zinc/48/85/33/1074488533.db2.gz AAVNXZKUMZMULV-MWDXBVQZSA-N 2 1 379.505 -1.092 20 0 GAADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000911364485 1074488616 /nfs/dbraw/zinc/48/86/16/1074488616.db2.gz AAVNXZKUMZMULV-WCXIOVBPSA-N 2 1 379.505 -1.092 20 0 GAADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000911364485 1074488610 /nfs/dbraw/zinc/48/86/10/1074488610.db2.gz AAVNXZKUMZMULV-WCXIOVBPSA-N 2 1 379.505 -1.092 20 0 GAADMP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000911364487 1074488642 /nfs/dbraw/zinc/48/86/42/1074488642.db2.gz AAVNXZKUMZMULV-YLFCFFPRSA-N 2 1 379.505 -1.092 20 0 GAADMP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000911364487 1074488637 /nfs/dbraw/zinc/48/86/37/1074488637.db2.gz AAVNXZKUMZMULV-YLFCFFPRSA-N 2 1 379.505 -1.092 20 0 GAADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911366303 1074489843 /nfs/dbraw/zinc/48/98/43/1074489843.db2.gz DTIQUMIGKNLHHY-KSZLIROESA-N 2 1 393.532 -1.033 20 0 GAADMP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911366303 1074489838 /nfs/dbraw/zinc/48/98/38/1074489838.db2.gz DTIQUMIGKNLHHY-KSZLIROESA-N 2 1 393.532 -1.033 20 0 GAADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911366305 1074489704 /nfs/dbraw/zinc/48/97/04/1074489704.db2.gz DTIQUMIGKNLHHY-RCCFBDPRSA-N 2 1 393.532 -1.033 20 0 GAADMP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911366305 1074489698 /nfs/dbraw/zinc/48/96/98/1074489698.db2.gz DTIQUMIGKNLHHY-RCCFBDPRSA-N 2 1 393.532 -1.033 20 0 GAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000911368852 1074490242 /nfs/dbraw/zinc/49/02/42/1074490242.db2.gz UHUKYIPJLAWNQZ-IKGGRYGDSA-N 2 1 381.521 -1.129 20 0 GAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000911368852 1074490238 /nfs/dbraw/zinc/49/02/38/1074490238.db2.gz UHUKYIPJLAWNQZ-IKGGRYGDSA-N 2 1 381.521 -1.129 20 0 GAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000911368853 1074490323 /nfs/dbraw/zinc/49/03/23/1074490323.db2.gz UHUKYIPJLAWNQZ-IXDOHACOSA-N 2 1 381.521 -1.129 20 0 GAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000911368853 1074490316 /nfs/dbraw/zinc/49/03/16/1074490316.db2.gz UHUKYIPJLAWNQZ-IXDOHACOSA-N 2 1 381.521 -1.129 20 0 GAADMP O=C(NCCN1CCNC1=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911368894 1074490218 /nfs/dbraw/zinc/49/02/18/1074490218.db2.gz VDQYLRAMLBMYJO-GASCZTMLSA-N 2 1 378.477 -1.445 20 0 GAADMP O=C(NCCN1CCNC1=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911368894 1074490213 /nfs/dbraw/zinc/49/02/13/1074490213.db2.gz VDQYLRAMLBMYJO-GASCZTMLSA-N 2 1 378.477 -1.445 20 0 GAADMP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000911380312 1074489911 /nfs/dbraw/zinc/48/99/11/1074489911.db2.gz NJEIIKVYPPXXRM-ZBFHGGJFSA-N 2 1 379.505 -1.029 20 0 GAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC2)C1 ZINC000911413363 1074491113 /nfs/dbraw/zinc/49/11/13/1074491113.db2.gz FGADUSUFOSUUBQ-KRWDZBQOSA-N 2 1 380.537 -1.236 20 0 GAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCN3CCC([NH3+])CC3)CC2)C1 ZINC000911413364 1074491100 /nfs/dbraw/zinc/49/11/00/1074491100.db2.gz FGADUSUFOSUUBQ-QGZVFWFLSA-N 2 1 380.537 -1.236 20 0 GAADMP CCO[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+](C)C ZINC000911436515 1074491037 /nfs/dbraw/zinc/49/10/37/1074491037.db2.gz UQZQCYFFSTUGET-CABCVRRESA-N 2 1 383.493 -1.508 20 0 GAADMP CCO[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+](C)C ZINC000911436516 1074491125 /nfs/dbraw/zinc/49/11/25/1074491125.db2.gz UQZQCYFFSTUGET-GJZGRUSLSA-N 2 1 383.493 -1.508 20 0 GAADMP CCO[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+](C)C ZINC000911436517 1074490996 /nfs/dbraw/zinc/49/09/96/1074490996.db2.gz UQZQCYFFSTUGET-HUUCEWRRSA-N 2 1 383.493 -1.508 20 0 GAADMP CCO[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+](C)C ZINC000911436518 1074491136 /nfs/dbraw/zinc/49/11/36/1074491136.db2.gz UQZQCYFFSTUGET-LSDHHAIUSA-N 2 1 383.493 -1.508 20 0 GAADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000911449859 1074491625 /nfs/dbraw/zinc/49/16/25/1074491625.db2.gz NZXXEMLLHXAMHF-CYBMUJFWSA-N 2 1 384.502 -1.047 20 0 GAADMP O=C(NCC[NH+]1CCSCC1)C(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000911449860 1074491904 /nfs/dbraw/zinc/49/19/04/1074491904.db2.gz NZXXEMLLHXAMHF-ZDUSSCGKSA-N 2 1 384.502 -1.047 20 0 GAADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000913674342 1074612955 /nfs/dbraw/zinc/61/29/55/1074612955.db2.gz MYZMESIKKJIQPO-AQPSJQEXSA-N 2 1 380.489 -1.292 20 0 GAADMP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913674342 1074612947 /nfs/dbraw/zinc/61/29/47/1074612947.db2.gz MYZMESIKKJIQPO-AQPSJQEXSA-N 2 1 380.489 -1.292 20 0 GAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000913674342 1074612942 /nfs/dbraw/zinc/61/29/42/1074612942.db2.gz MYZMESIKKJIQPO-AQPSJQEXSA-N 2 1 380.489 -1.292 20 0 GAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000913674343 1074613253 /nfs/dbraw/zinc/61/32/53/1074613253.db2.gz MYZMESIKKJIQPO-JROKTQBJSA-N 2 1 380.489 -1.292 20 0 GAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000913674343 1074613250 /nfs/dbraw/zinc/61/32/50/1074613250.db2.gz MYZMESIKKJIQPO-JROKTQBJSA-N 2 1 380.489 -1.292 20 0 GAADMP C[NH+]1C[C@@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913674343 1074613246 /nfs/dbraw/zinc/61/32/46/1074613246.db2.gz MYZMESIKKJIQPO-JROKTQBJSA-N 2 1 380.489 -1.292 20 0 GAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913674344 1074613202 /nfs/dbraw/zinc/61/32/02/1074613202.db2.gz MYZMESIKKJIQPO-KGSBAQAMSA-N 2 1 380.489 -1.292 20 0 GAADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000913674345 1074612925 /nfs/dbraw/zinc/61/29/25/1074612925.db2.gz MYZMESIKKJIQPO-PYQRTKFDSA-N 2 1 380.489 -1.292 20 0 GAADMP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913674345 1074612921 /nfs/dbraw/zinc/61/29/21/1074612921.db2.gz MYZMESIKKJIQPO-PYQRTKFDSA-N 2 1 380.489 -1.292 20 0 GAADMP C[NH+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913674345 1074612915 /nfs/dbraw/zinc/61/29/15/1074612915.db2.gz MYZMESIKKJIQPO-PYQRTKFDSA-N 2 1 380.489 -1.292 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)NC2(C)CN(C(=O)C3CN(C)CC[N@@H+](C)C3)C2)C1 ZINC000913833511 1074614192 /nfs/dbraw/zinc/61/41/92/1074614192.db2.gz CUMLTPAFGILTHG-UHFFFAOYSA-N 2 1 394.564 -1.310 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)NC2(C)CN(C(=O)C3CN(C)CC[N@H+](C)C3)C2)C1 ZINC000913833511 1074614189 /nfs/dbraw/zinc/61/41/89/1074614189.db2.gz CUMLTPAFGILTHG-UHFFFAOYSA-N 2 1 394.564 -1.310 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)N2CC(C)(NC(=O)C3CN(C)CC[N@@H+](C)C3)C2)C1 ZINC000913833511 1074614184 /nfs/dbraw/zinc/61/41/84/1074614184.db2.gz CUMLTPAFGILTHG-UHFFFAOYSA-N 2 1 394.564 -1.310 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)NC[C@H](CO)NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000913920000 1074614852 /nfs/dbraw/zinc/61/48/52/1074614852.db2.gz FDBIJDAUPBPLSR-QGZVFWFLSA-N 2 1 398.552 -2.434 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)NC[C@H](CO)NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000913920000 1074614849 /nfs/dbraw/zinc/61/48/49/1074614849.db2.gz FDBIJDAUPBPLSR-QGZVFWFLSA-N 2 1 398.552 -2.434 20 0 GAADMP CN1CC[NH+](C)CC(C(=O)N[C@@H](CO)CNC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000913920000 1074614847 /nfs/dbraw/zinc/61/48/47/1074614847.db2.gz FDBIJDAUPBPLSR-QGZVFWFLSA-N 2 1 398.552 -2.434 20 0 GAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000923199568 637383983 /nfs/dbraw/zinc/38/39/83/637383983.db2.gz UATSADNNWJMSDT-KBPBESRZSA-N 2 1 376.527 -1.198 20 0 GAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000923199568 637383974 /nfs/dbraw/zinc/38/39/74/637383974.db2.gz UATSADNNWJMSDT-KBPBESRZSA-N 2 1 376.527 -1.198 20 0 GAADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000923199569 637384098 /nfs/dbraw/zinc/38/40/98/637384098.db2.gz UATSADNNWJMSDT-UONOGXRCSA-N 2 1 376.527 -1.198 20 0 GAADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000923199569 637384091 /nfs/dbraw/zinc/38/40/91/637384091.db2.gz UATSADNNWJMSDT-UONOGXRCSA-N 2 1 376.527 -1.198 20 0 GAADMP COCC[N@@H+](C)C[C@H](O)CN(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[NH2+]C1 ZINC000923339821 1074884642 /nfs/dbraw/zinc/88/46/42/1074884642.db2.gz MVDOLIFYTFPJDT-CVEARBPZSA-N 2 1 383.493 -1.813 20 0 GAADMP COCC[N@@H+](C)C[C@H](O)CN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[NH2+]C1 ZINC000923339822 1074884586 /nfs/dbraw/zinc/88/45/86/1074884586.db2.gz MVDOLIFYTFPJDT-HOTGVXAUSA-N 2 1 383.493 -1.813 20 0 GAADMP COCC[N@@H+](C)C[C@@H](O)CN(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[NH2+]C1 ZINC000923339823 1074884653 /nfs/dbraw/zinc/88/46/53/1074884653.db2.gz MVDOLIFYTFPJDT-HZPDHXFCSA-N 2 1 383.493 -1.813 20 0 GAADMP COCC[N@@H+](C)C[C@@H](O)CN(Cc1cn(C)c(=O)n(C)c1=O)[C@H]1CC[NH2+]C1 ZINC000923339824 1074884664 /nfs/dbraw/zinc/88/46/64/1074884664.db2.gz MVDOLIFYTFPJDT-JKSUJKDBSA-N 2 1 383.493 -1.813 20 0 GAADMP CC(C)[NH+]1CCC(NC(=O)CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000923433216 1074886019 /nfs/dbraw/zinc/88/60/19/1074886019.db2.gz CBPMFUJFSOONAO-UHFFFAOYSA-N 2 1 387.550 -1.105 20 0 GAADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(S(=O)(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000923611432 637486044 /nfs/dbraw/zinc/48/60/44/637486044.db2.gz FCOISXLVLSXBOR-INIZCTEOSA-N 2 1 375.539 -1.137 20 0 GAADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(S(=O)(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000923611433 637485851 /nfs/dbraw/zinc/48/58/51/637485851.db2.gz FCOISXLVLSXBOR-MRXNPFEDSA-N 2 1 375.539 -1.137 20 0 GAADMP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000926331747 1075699427 /nfs/dbraw/zinc/69/94/27/1075699427.db2.gz PKDNBZUFOAALJS-APWZRJJASA-N 2 1 381.521 -1.075 20 0 GAADMP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000926331747 1075699425 /nfs/dbraw/zinc/69/94/25/1075699425.db2.gz PKDNBZUFOAALJS-APWZRJJASA-N 2 1 381.521 -1.075 20 0 GAADMP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000926332148 1075699931 /nfs/dbraw/zinc/69/99/31/1075699931.db2.gz PKDNBZUFOAALJS-LPHOPBHVSA-N 2 1 381.521 -1.075 20 0 GAADMP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000926332148 1075699929 /nfs/dbraw/zinc/69/99/29/1075699929.db2.gz PKDNBZUFOAALJS-LPHOPBHVSA-N 2 1 381.521 -1.075 20 0 GAADMP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000926332149 1075699858 /nfs/dbraw/zinc/69/98/58/1075699858.db2.gz PKDNBZUFOAALJS-QFBILLFUSA-N 2 1 381.521 -1.075 20 0 GAADMP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000926332149 1075699856 /nfs/dbraw/zinc/69/98/56/1075699856.db2.gz PKDNBZUFOAALJS-QFBILLFUSA-N 2 1 381.521 -1.075 20 0 GAADMP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000926332150 1075699886 /nfs/dbraw/zinc/69/98/86/1075699886.db2.gz PKDNBZUFOAALJS-VQIMIIECSA-N 2 1 381.521 -1.075 20 0 GAADMP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000926332150 1075699883 /nfs/dbraw/zinc/69/98/83/1075699883.db2.gz PKDNBZUFOAALJS-VQIMIIECSA-N 2 1 381.521 -1.075 20 0 GAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000926356802 1075700201 /nfs/dbraw/zinc/70/02/01/1075700201.db2.gz KHAPJWLJNGSTDX-XHSDSOJGSA-N 2 1 377.489 -1.038 20 0 GAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000926357552 1075700234 /nfs/dbraw/zinc/70/02/34/1075700234.db2.gz QBYSUSOFRZTDAS-XHSDSOJGSA-N 2 1 377.489 -1.181 20 0 GAADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926358200 1075700292 /nfs/dbraw/zinc/70/02/92/1075700292.db2.gz WHKMROGBNRPJFZ-HNNXBMFYSA-N 2 1 380.493 -2.227 20 0 GAADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000926358201 1075700255 /nfs/dbraw/zinc/70/02/55/1075700255.db2.gz WHKMROGBNRPJFZ-OAHLLOKOSA-N 2 1 380.493 -2.227 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000929394888 1074887835 /nfs/dbraw/zinc/88/78/35/1074887835.db2.gz FESMWHUHMBBVPH-INIZCTEOSA-N 2 1 395.504 -1.364 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000929394888 1074887832 /nfs/dbraw/zinc/88/78/32/1074887832.db2.gz FESMWHUHMBBVPH-INIZCTEOSA-N 2 1 395.504 -1.364 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000929394889 1075707602 /nfs/dbraw/zinc/70/76/02/1075707602.db2.gz FESMWHUHMBBVPH-MRXNPFEDSA-N 2 1 395.504 -1.364 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000929394889 1075707597 /nfs/dbraw/zinc/70/75/97/1075707597.db2.gz FESMWHUHMBBVPH-MRXNPFEDSA-N 2 1 395.504 -1.364 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000929395121 1075707516 /nfs/dbraw/zinc/70/75/16/1075707516.db2.gz NPHVMEHWBRMGNJ-CVEARBPZSA-N 2 1 395.504 -1.676 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000929395121 1075707513 /nfs/dbraw/zinc/70/75/13/1075707513.db2.gz NPHVMEHWBRMGNJ-CVEARBPZSA-N 2 1 395.504 -1.676 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000929395122 1075707566 /nfs/dbraw/zinc/70/75/66/1075707566.db2.gz NPHVMEHWBRMGNJ-HOTGVXAUSA-N 2 1 395.504 -1.676 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000929395122 1075707561 /nfs/dbraw/zinc/70/75/61/1075707561.db2.gz NPHVMEHWBRMGNJ-HOTGVXAUSA-N 2 1 395.504 -1.676 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000929395123 1075707460 /nfs/dbraw/zinc/70/74/60/1075707460.db2.gz NPHVMEHWBRMGNJ-HZPDHXFCSA-N 2 1 395.504 -1.676 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000929395123 1075707455 /nfs/dbraw/zinc/70/74/55/1075707455.db2.gz NPHVMEHWBRMGNJ-HZPDHXFCSA-N 2 1 395.504 -1.676 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000929395124 1075707495 /nfs/dbraw/zinc/70/74/95/1075707495.db2.gz NPHVMEHWBRMGNJ-JKSUJKDBSA-N 2 1 395.504 -1.676 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000929395124 1075707491 /nfs/dbraw/zinc/70/74/91/1075707491.db2.gz NPHVMEHWBRMGNJ-JKSUJKDBSA-N 2 1 395.504 -1.676 20 0 GAADMP CCO[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C[NH+](C)C ZINC000930077566 1075710540 /nfs/dbraw/zinc/71/05/40/1075710540.db2.gz USHDBVHTBGOIJE-HNNXBMFYSA-N 2 1 385.509 -1.262 20 0 GAADMP CCO[C@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C[NH+](C)C ZINC000930077572 1075710680 /nfs/dbraw/zinc/71/06/80/1075710680.db2.gz USHDBVHTBGOIJE-OAHLLOKOSA-N 2 1 385.509 -1.262 20 0 GAADMP C[C@H](CNC(=O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000930888511 1075712768 /nfs/dbraw/zinc/71/27/68/1075712768.db2.gz QDOPTALNSXEMGG-DISONHOPSA-N 2 1 381.521 -2.007 20 0 GAADMP C[C@H](CNC(=O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000930888511 1075712763 /nfs/dbraw/zinc/71/27/63/1075712763.db2.gz QDOPTALNSXEMGG-DISONHOPSA-N 2 1 381.521 -2.007 20 0 GAADMP C[C@H](CNC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000930888511 1075712757 /nfs/dbraw/zinc/71/27/57/1075712757.db2.gz QDOPTALNSXEMGG-DISONHOPSA-N 2 1 381.521 -2.007 20 0 GAADMP C[C@@H](CNC(=O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000930888512 1075712822 /nfs/dbraw/zinc/71/28/22/1075712822.db2.gz QDOPTALNSXEMGG-NNPSNHGLSA-N 2 1 381.521 -2.007 20 0 GAADMP C[C@@H](CNC(=O)CN1CC[NH+]2C[C@H](O)C[C@H]2C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000930888512 1075712817 /nfs/dbraw/zinc/71/28/17/1075712817.db2.gz QDOPTALNSXEMGG-NNPSNHGLSA-N 2 1 381.521 -2.007 20 0 GAADMP C[C@@H](CNC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000930888512 1075712810 /nfs/dbraw/zinc/71/28/10/1075712810.db2.gz QDOPTALNSXEMGG-NNPSNHGLSA-N 2 1 381.521 -2.007 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1=O ZINC000931821441 1075716128 /nfs/dbraw/zinc/71/61/28/1075716128.db2.gz VVAPIQYUIGONKE-CABCVRRESA-N 2 1 397.545 -1.085 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1=O ZINC000931821441 1075716122 /nfs/dbraw/zinc/71/61/22/1075716122.db2.gz VVAPIQYUIGONKE-CABCVRRESA-N 2 1 397.545 -1.085 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1=O ZINC000931821447 1075716206 /nfs/dbraw/zinc/71/62/06/1075716206.db2.gz VVAPIQYUIGONKE-GJZGRUSLSA-N 2 1 397.545 -1.085 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1=O ZINC000931821447 1075716203 /nfs/dbraw/zinc/71/62/03/1075716203.db2.gz VVAPIQYUIGONKE-GJZGRUSLSA-N 2 1 397.545 -1.085 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1=O ZINC000931821449 1075716263 /nfs/dbraw/zinc/71/62/63/1075716263.db2.gz VVAPIQYUIGONKE-HUUCEWRRSA-N 2 1 397.545 -1.085 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1=O ZINC000931821449 1075716261 /nfs/dbraw/zinc/71/62/61/1075716261.db2.gz VVAPIQYUIGONKE-HUUCEWRRSA-N 2 1 397.545 -1.085 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1=O ZINC000931821451 1075716195 /nfs/dbraw/zinc/71/61/95/1075716195.db2.gz VVAPIQYUIGONKE-LSDHHAIUSA-N 2 1 397.545 -1.085 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1=O ZINC000931821451 1075716192 /nfs/dbraw/zinc/71/61/92/1075716192.db2.gz VVAPIQYUIGONKE-LSDHHAIUSA-N 2 1 397.545 -1.085 20 0 GAADMP CCO[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C[NH+](C)C ZINC000932467856 1075718378 /nfs/dbraw/zinc/71/83/78/1075718378.db2.gz KSWPOWNHEWUIGJ-CVEARBPZSA-N 2 1 397.520 -1.166 20 0 GAADMP CCO[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)C[NH+](C)C ZINC000932467857 1075718355 /nfs/dbraw/zinc/71/83/55/1075718355.db2.gz KSWPOWNHEWUIGJ-HOTGVXAUSA-N 2 1 397.520 -1.166 20 0 GAADMP CCO[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C[NH+](C)C ZINC000932467858 1075718435 /nfs/dbraw/zinc/71/84/35/1075718435.db2.gz KSWPOWNHEWUIGJ-HZPDHXFCSA-N 2 1 397.520 -1.166 20 0 GAADMP CCO[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)C[NH+](C)C ZINC000932467859 1075718411 /nfs/dbraw/zinc/71/84/11/1075718411.db2.gz KSWPOWNHEWUIGJ-JKSUJKDBSA-N 2 1 397.520 -1.166 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1=O ZINC000932965319 1075720068 /nfs/dbraw/zinc/72/00/68/1075720068.db2.gz KMCAEXPUZGZFEL-INIZCTEOSA-N 2 1 395.504 -1.412 20 0 GAADMP C[NH+](C)CCN1CCN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1=O ZINC000932965320 1075720137 /nfs/dbraw/zinc/72/01/37/1075720137.db2.gz KMCAEXPUZGZFEL-MRXNPFEDSA-N 2 1 395.504 -1.412 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCNC3=O)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930591 1073521164 /nfs/dbraw/zinc/52/11/64/1073521164.db2.gz SIBGMPWKOBEMNF-FPCVCCKLSA-N 2 1 390.492 -1.015 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN3CCNC3=O)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001069930591 1073521154 /nfs/dbraw/zinc/52/11/54/1073521154.db2.gz SIBGMPWKOBEMNF-FPCVCCKLSA-N 2 1 390.492 -1.015 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001069930591 1073521140 /nfs/dbraw/zinc/52/11/40/1073521140.db2.gz SIBGMPWKOBEMNF-FPCVCCKLSA-N 2 1 390.492 -1.015 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3CCNC3=O)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001069930591 1073521129 /nfs/dbraw/zinc/52/11/29/1073521129.db2.gz SIBGMPWKOBEMNF-FPCVCCKLSA-N 2 1 390.492 -1.015 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCN3CCNC3=O)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001070196509 1073530995 /nfs/dbraw/zinc/53/09/95/1073530995.db2.gz BKJYZFMQSNMQBN-FPCVCCKLSA-N 2 1 390.492 -1.015 20 0 GAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCn3cncn3)[C@@H](n3ccnn3)C2)O1 ZINC001070217530 1073531702 /nfs/dbraw/zinc/53/17/02/1073531702.db2.gz HGZOFMQYBOUXKN-LVQVYYBASA-N 2 1 389.464 -1.370 20 0 GAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCn3cncn3)[C@@H](n3ccnn3)C2)O1 ZINC001070217530 1073531697 /nfs/dbraw/zinc/53/16/97/1073531697.db2.gz HGZOFMQYBOUXKN-LVQVYYBASA-N 2 1 389.464 -1.370 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)CC[NH+]1C ZINC001075808966 1074194268 /nfs/dbraw/zinc/19/42/68/1074194268.db2.gz MHRSBNIKUSUBCP-QKPAOTATSA-N 2 1 377.489 -1.182 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCNC(=O)C4)C[C@H]32)CC[NH+]1C ZINC001075808966 1074194265 /nfs/dbraw/zinc/19/42/65/1074194265.db2.gz MHRSBNIKUSUBCP-QKPAOTATSA-N 2 1 377.489 -1.182 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCNC(=O)C4)C[C@H]32)CC[N@H+]1C ZINC001075808966 1074194262 /nfs/dbraw/zinc/19/42/62/1074194262.db2.gz MHRSBNIKUSUBCP-QKPAOTATSA-N 2 1 377.489 -1.182 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCNC(=O)C4)C[C@H]32)CC[N@@H+]1C ZINC001075808966 1074194259 /nfs/dbraw/zinc/19/42/59/1074194259.db2.gz MHRSBNIKUSUBCP-QKPAOTATSA-N 2 1 377.489 -1.182 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CC(=O)N4CCNC(=O)C4)C[C@H]32)CC[N@H+]1C ZINC001075808966 1074194256 /nfs/dbraw/zinc/19/42/56/1074194256.db2.gz MHRSBNIKUSUBCP-QKPAOTATSA-N 2 1 377.489 -1.182 20 0 GAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@H]32)O1 ZINC001075940559 1074333753 /nfs/dbraw/zinc/33/37/53/1074333753.db2.gz WAMMXECIPRYEJC-LXTVHRRPSA-N 2 1 379.461 -1.210 20 0 GAADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@H]32)O1 ZINC001075940559 1074333751 /nfs/dbraw/zinc/33/37/51/1074333751.db2.gz WAMMXECIPRYEJC-LXTVHRRPSA-N 2 1 379.461 -1.210 20 0 GAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)O1 ZINC001075940559 1074333744 /nfs/dbraw/zinc/33/37/44/1074333744.db2.gz WAMMXECIPRYEJC-LXTVHRRPSA-N 2 1 379.461 -1.210 20 0 GAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@H]32)O1 ZINC001075940559 1074333735 /nfs/dbraw/zinc/33/37/35/1074333735.db2.gz WAMMXECIPRYEJC-LXTVHRRPSA-N 2 1 379.461 -1.210 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]2O)CC[NH+]1C ZINC001077024715 1074440340 /nfs/dbraw/zinc/44/03/40/1074440340.db2.gz MKBVZLIXKBKGJG-AAVRWANBSA-N 2 1 381.477 -1.182 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]2O)CC[NH+]1C ZINC001077024715 1074440332 /nfs/dbraw/zinc/44/03/32/1074440332.db2.gz MKBVZLIXKBKGJG-AAVRWANBSA-N 2 1 381.477 -1.182 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]2O)CC[N@H+]1C ZINC001077024715 1074440328 /nfs/dbraw/zinc/44/03/28/1074440328.db2.gz MKBVZLIXKBKGJG-AAVRWANBSA-N 2 1 381.477 -1.182 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]2O)CC[N@@H+]1C ZINC001077024715 1074440324 /nfs/dbraw/zinc/44/03/24/1074440324.db2.gz MKBVZLIXKBKGJG-AAVRWANBSA-N 2 1 381.477 -1.182 20 0 GAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]2O)CC[NH+]1C ZINC001077028394 1074440461 /nfs/dbraw/zinc/44/04/61/1074440461.db2.gz CSTQTFFSQDIWOX-GBJTYRQASA-N 2 1 381.477 -1.180 20 0 GAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]2O)CC[NH+]1C ZINC001077028394 1074440457 /nfs/dbraw/zinc/44/04/57/1074440457.db2.gz CSTQTFFSQDIWOX-GBJTYRQASA-N 2 1 381.477 -1.180 20 0 GAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@H]2O)CC[N@H+]1C ZINC001077028394 1074440447 /nfs/dbraw/zinc/44/04/47/1074440447.db2.gz CSTQTFFSQDIWOX-GBJTYRQASA-N 2 1 381.477 -1.180 20 0 GAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001082589861 1074898218 /nfs/dbraw/zinc/89/82/18/1074898218.db2.gz QXDZVUHIOQGTQB-RRCSTGOVSA-N 2 1 393.488 -1.260 20 0 GAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001082589861 1074898211 /nfs/dbraw/zinc/89/82/11/1074898211.db2.gz QXDZVUHIOQGTQB-RRCSTGOVSA-N 2 1 393.488 -1.260 20 0 GAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001082590459 1074898147 /nfs/dbraw/zinc/89/81/47/1074898147.db2.gz XNHJYTOVNFYDRI-KBUPBQIOSA-N 2 1 381.477 -1.900 20 0 GAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001082590459 1074898141 /nfs/dbraw/zinc/89/81/41/1074898141.db2.gz XNHJYTOVNFYDRI-KBUPBQIOSA-N 2 1 381.477 -1.900 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCN4C(=O)CNC4=O)C[C@@H]32)CC[NH+]1C ZINC001083085611 1074899431 /nfs/dbraw/zinc/89/94/31/1074899431.db2.gz AXIIJGDOIGYPTD-APIJFGDWSA-N 2 1 379.461 -1.210 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCN4C(=O)CNC4=O)C[C@@H]32)CC[NH+]1C ZINC001083085611 1074899427 /nfs/dbraw/zinc/89/94/27/1074899427.db2.gz AXIIJGDOIGYPTD-APIJFGDWSA-N 2 1 379.461 -1.210 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@@H]32)CC[N@H+]1C ZINC001083085611 1074899425 /nfs/dbraw/zinc/89/94/25/1074899425.db2.gz AXIIJGDOIGYPTD-APIJFGDWSA-N 2 1 379.461 -1.210 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCN4C(=O)CNC4=O)C[C@@H]32)CC[N@@H+]1C ZINC001083085611 1074899418 /nfs/dbraw/zinc/89/94/18/1074899418.db2.gz AXIIJGDOIGYPTD-APIJFGDWSA-N 2 1 379.461 -1.210 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@@H]2O)CC[NH+]1C ZINC001083472223 1074368208 /nfs/dbraw/zinc/36/82/08/1074368208.db2.gz MKBVZLIXKBKGJG-SYQHCUMBSA-N 2 1 381.477 -1.182 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@@H]2O)CC[NH+]1C ZINC001083472223 1074368198 /nfs/dbraw/zinc/36/81/98/1074368198.db2.gz MKBVZLIXKBKGJG-SYQHCUMBSA-N 2 1 381.477 -1.182 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)NC(C)(C)C3=O)C[C@@H]2O)CC[N@H+]1C ZINC001083472223 1074368188 /nfs/dbraw/zinc/36/81/88/1074368188.db2.gz MKBVZLIXKBKGJG-SYQHCUMBSA-N 2 1 381.477 -1.182 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)NC(C)(C)C3=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083472223 1074368178 /nfs/dbraw/zinc/36/81/78/1074368178.db2.gz MKBVZLIXKBKGJG-SYQHCUMBSA-N 2 1 381.477 -1.182 20 0 GAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083474841 1074369153 /nfs/dbraw/zinc/36/91/53/1074369153.db2.gz CSTQTFFSQDIWOX-YJNKXOJESA-N 2 1 381.477 -1.180 20 0 GAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@@H]2O)CC[NH+]1C ZINC001083474841 1074369143 /nfs/dbraw/zinc/36/91/43/1074369143.db2.gz CSTQTFFSQDIWOX-YJNKXOJESA-N 2 1 381.477 -1.180 20 0 GAADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@@H]2O)CC[N@H+]1C ZINC001083474841 1074369133 /nfs/dbraw/zinc/36/91/33/1074369133.db2.gz CSTQTFFSQDIWOX-YJNKXOJESA-N 2 1 381.477 -1.180 20 0 GAADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@H]2C)CC[N@H+]1C ZINC001092620737 1075086809 /nfs/dbraw/zinc/08/68/09/1075086809.db2.gz YTPOATQQNOXUQN-KLHDSHLOSA-N 2 1 379.505 -1.031 20 0 GAADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)N3CCNC(=O)C3)C[C@H]2C)CC[N@@H+]1C ZINC001092620737 1075086807 /nfs/dbraw/zinc/08/68/07/1075086807.db2.gz YTPOATQQNOXUQN-KLHDSHLOSA-N 2 1 379.505 -1.031 20 0 GAADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]2C)CC[NH+]1C ZINC001092620737 1075086804 /nfs/dbraw/zinc/08/68/04/1075086804.db2.gz YTPOATQQNOXUQN-KLHDSHLOSA-N 2 1 379.505 -1.031 20 0 GAADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092724644 1075086849 /nfs/dbraw/zinc/08/68/49/1075086849.db2.gz QJJYRFNMVGOVGP-KBUPBQIOSA-N 2 1 381.477 -1.059 20 0 GAADMP C[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092724644 1075086845 /nfs/dbraw/zinc/08/68/45/1075086845.db2.gz QJJYRFNMVGOVGP-KBUPBQIOSA-N 2 1 381.477 -1.059 20 0 GAADMP C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724644 1075086842 /nfs/dbraw/zinc/08/68/42/1075086842.db2.gz QJJYRFNMVGOVGP-KBUPBQIOSA-N 2 1 381.477 -1.059 20 0 GAADMP C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092724644 1075086839 /nfs/dbraw/zinc/08/68/39/1075086839.db2.gz QJJYRFNMVGOVGP-KBUPBQIOSA-N 2 1 381.477 -1.059 20 0 GAADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001102081383 1073562983 /nfs/dbraw/zinc/56/29/83/1073562983.db2.gz YRXQUFMISATIMJ-KBUPBQIOSA-N 2 1 376.523 -1.061 20 0 GAADMP C[C@@H]1C[NH+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001102081383 1073562973 /nfs/dbraw/zinc/56/29/73/1073562973.db2.gz YRXQUFMISATIMJ-KBUPBQIOSA-N 2 1 376.523 -1.061 20 0 GAADMP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001102081383 1073562967 /nfs/dbraw/zinc/56/29/67/1073562967.db2.gz YRXQUFMISATIMJ-KBUPBQIOSA-N 2 1 376.523 -1.061 20 0 GAADMP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001102081383 1073562959 /nfs/dbraw/zinc/56/29/59/1073562959.db2.gz YRXQUFMISATIMJ-KBUPBQIOSA-N 2 1 376.523 -1.061 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)N3CCNC(=O)C3)[C@H](C)C2)CC[N@H+]1C ZINC001106148607 1074617617 /nfs/dbraw/zinc/61/76/17/1074617617.db2.gz VJNDJDMADQDAGA-KLHDSHLOSA-N 2 1 379.505 -1.031 20 0 GAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106309832 1074625026 /nfs/dbraw/zinc/62/50/26/1074625026.db2.gz FUPOUGZDCKUROZ-KBUPBQIOSA-N 2 1 376.523 -1.061 20 0 GAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCNS(C)(=O)=O ZINC001106309832 1074625022 /nfs/dbraw/zinc/62/50/22/1074625022.db2.gz FUPOUGZDCKUROZ-KBUPBQIOSA-N 2 1 376.523 -1.061 20 0 GAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106310801 1074624626 /nfs/dbraw/zinc/62/46/26/1074624626.db2.gz ZFWYKTVETDVAOS-KBUPBQIOSA-N 2 1 381.477 -1.059 20 0 GAADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CCN1C(=O)CNC1=O ZINC001106310801 1074624622 /nfs/dbraw/zinc/62/46/22/1074624622.db2.gz ZFWYKTVETDVAOS-KBUPBQIOSA-N 2 1 381.477 -1.059 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC001117048555 1073625864 /nfs/dbraw/zinc/62/58/64/1073625864.db2.gz XGJAVJYYYZRKPG-UHFFFAOYSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC001117116599 1073633707 /nfs/dbraw/zinc/63/37/07/1073633707.db2.gz NAHLYHVXMDKPGI-UHFFFAOYSA-N 2 1 397.520 -1.118 20 0 GAADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001117288249 1073651566 /nfs/dbraw/zinc/65/15/66/1073651566.db2.gz JBDHLEJNLXIRMJ-GDBMZVCRSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC001117288249 1073651560 /nfs/dbraw/zinc/65/15/60/1073651560.db2.gz JBDHLEJNLXIRMJ-GDBMZVCRSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001117288250 1073651452 /nfs/dbraw/zinc/65/14/52/1073651452.db2.gz JBDHLEJNLXIRMJ-GOEBONIOSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC001117288250 1073651450 /nfs/dbraw/zinc/65/14/50/1073651450.db2.gz JBDHLEJNLXIRMJ-GOEBONIOSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001117288251 1073651405 /nfs/dbraw/zinc/65/14/05/1073651405.db2.gz JBDHLEJNLXIRMJ-HOCLYGCPSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001117288251 1073651400 /nfs/dbraw/zinc/65/14/00/1073651400.db2.gz JBDHLEJNLXIRMJ-HOCLYGCPSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001117288252 1073651488 /nfs/dbraw/zinc/65/14/88/1073651488.db2.gz JBDHLEJNLXIRMJ-ZBFHGGJFSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001117288252 1073651483 /nfs/dbraw/zinc/65/14/83/1073651483.db2.gz JBDHLEJNLXIRMJ-ZBFHGGJFSA-N 2 1 397.520 -1.119 20 0 GAADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC001118086640 1073721848 /nfs/dbraw/zinc/72/18/48/1073721848.db2.gz YFFKJZWWSFPZSB-BHYGNILZSA-N 2 1 391.520 -1.327 20 0 GAADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)CN1CC[NH+](C)CC1 ZINC001118086641 1073721908 /nfs/dbraw/zinc/72/19/08/1073721908.db2.gz YFFKJZWWSFPZSB-HYVNUMGLSA-N 2 1 391.520 -1.327 20 0 GAADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001118147753 1073724725 /nfs/dbraw/zinc/72/47/25/1073724725.db2.gz JDEHKVZQAWDYBQ-DLBZAZTESA-N 2 1 391.520 -1.231 20 0 GAADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)nn1 ZINC001118331182 1073747194 /nfs/dbraw/zinc/74/71/94/1073747194.db2.gz LSOQSGVDXWEKDL-QLFBSQMISA-N 2 1 377.449 -1.822 20 0 GAADMP [NH3+]Cc1cn([C@H]2CCCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)C2)nn1 ZINC001118331183 1073747322 /nfs/dbraw/zinc/74/73/22/1073747322.db2.gz LSOQSGVDXWEKDL-SOUVJXGZSA-N 2 1 377.449 -1.822 20 0 GAADMP O=C(/C=C/C=C/C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001118333075 1073747899 /nfs/dbraw/zinc/74/78/99/1073747899.db2.gz HDPDFHXOILSGQF-MPXZEPHKSA-N 2 1 390.484 -1.346 20 0 GAADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001118341440 1073748681 /nfs/dbraw/zinc/74/86/81/1073748681.db2.gz YXOCNUDQNSINRN-JKSUJKDBSA-N 2 1 395.504 -1.677 20 0 GAADMP O=C(CCCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001118383467 1073753182 /nfs/dbraw/zinc/75/31/82/1073753182.db2.gz ZVSJBFQOWIAFHG-MWDXBVQZSA-N 2 1 380.489 -1.289 20 0 GAADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)CC1 ZINC001118390723 1073753697 /nfs/dbraw/zinc/75/36/97/1073753697.db2.gz ZFDQFXKJWMUBCN-ZWKOTPCHSA-N 2 1 393.532 -1.250 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001118391717 1073753653 /nfs/dbraw/zinc/75/36/53/1073753653.db2.gz ADNSHWUDVDRFIJ-FJIDUMEYSA-N 2 1 393.532 -1.252 20 0 GAADMP C[C@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001118391718 1073754400 /nfs/dbraw/zinc/75/44/00/1073754400.db2.gz ADNSHWUDVDRFIJ-WNRNVDISSA-N 2 1 393.532 -1.252 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001118391719 1073754151 /nfs/dbraw/zinc/75/41/51/1073754151.db2.gz ADNSHWUDVDRFIJ-XDNAFOTISA-N 2 1 393.532 -1.252 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001118391720 1073754194 /nfs/dbraw/zinc/75/41/94/1073754194.db2.gz ADNSHWUDVDRFIJ-XMTFNYHQSA-N 2 1 393.532 -1.252 20 0 GAADMP CN1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)CC1 ZINC001118400275 1073754303 /nfs/dbraw/zinc/75/43/03/1073754303.db2.gz LGLXWOFPTXKDFS-ZWKOTPCHSA-N 2 1 393.532 -1.061 20 0 GAADMP O=C1NC(=O)[C@]2(CCC[NH+](C/C=C\C[N@@H+]3CCC[C@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001118518103 1073765088 /nfs/dbraw/zinc/76/50/88/1073765088.db2.gz QATLLBBYWWLGNQ-FKAFAWJWSA-N 2 1 390.444 -1.109 20 0 GAADMP O=C1NC(=O)[C@]2(CCC[N@H+](C/C=C/C[NH+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001118518111 1073765238 /nfs/dbraw/zinc/76/52/38/1073765238.db2.gz QATLLBBYWWLGNQ-KVHJKKSTSA-N 2 1 390.444 -1.109 20 0 GAADMP O=C1NC(=O)[C@]2(CCC[N@@H+](C/C=C/C[NH+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001118518111 1073765227 /nfs/dbraw/zinc/76/52/27/1073765227.db2.gz QATLLBBYWWLGNQ-KVHJKKSTSA-N 2 1 390.444 -1.109 20 0 GAADMP O=C1NC(=O)[C@]2(CCC[NH+](C/C=C/C[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001118518111 1073765214 /nfs/dbraw/zinc/76/52/14/1073765214.db2.gz QATLLBBYWWLGNQ-KVHJKKSTSA-N 2 1 390.444 -1.109 20 0 GAADMP O=C1NC(=O)[C@]2(CCC[N@H+](C/C=C\C[NH+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001118518113 1073765290 /nfs/dbraw/zinc/76/52/90/1073765290.db2.gz QATLLBBYWWLGNQ-OEHAVNEVSA-N 2 1 390.444 -1.109 20 0 GAADMP O=C1NC(=O)[C@]2(CCC[N@@H+](C/C=C\C[NH+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001118518113 1073765281 /nfs/dbraw/zinc/76/52/81/1073765281.db2.gz QATLLBBYWWLGNQ-OEHAVNEVSA-N 2 1 390.444 -1.109 20 0 GAADMP O=C1NC(=O)[C@]2(CCC[NH+](C/C=C\C[N@@H+]3CCC[C@@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001118518113 1073765271 /nfs/dbraw/zinc/76/52/71/1073765271.db2.gz QATLLBBYWWLGNQ-OEHAVNEVSA-N 2 1 390.444 -1.109 20 0 GAADMP O=C1NC(=O)[C@]2(CCC[NH+](C/C=C/C[N@@H+]3CCC[C@]4(C3)NC(=O)NC4=O)C2)N1 ZINC001118518116 1073765332 /nfs/dbraw/zinc/76/53/32/1073765332.db2.gz QATLLBBYWWLGNQ-ZHEVZCJESA-N 2 1 390.444 -1.109 20 0 GAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)n1 ZINC001118553348 1073767257 /nfs/dbraw/zinc/76/72/57/1073767257.db2.gz AMJRIFXRWIZHAT-UHFFFAOYSA-N 2 1 378.433 -1.420 20 0 GAADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N3CC4CC3(C[NH3+])C4)CC2)CC1 ZINC001118571671 1073769614 /nfs/dbraw/zinc/76/96/14/1073769614.db2.gz HONFEVDMTUZUDJ-UHFFFAOYSA-N 2 1 377.489 -1.051 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cn1 ZINC001118877478 1073797011 /nfs/dbraw/zinc/79/70/11/1073797011.db2.gz RCEXWLYIKANBRH-CQSZACIVSA-N 2 1 379.465 -1.290 20 0 GAADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001118919999 1073805811 /nfs/dbraw/zinc/80/58/11/1073805811.db2.gz SCNBRXQLZPVTFN-AHRSYUTCSA-N 2 1 393.532 -1.033 20 0 GAADMP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001118920000 1073805964 /nfs/dbraw/zinc/80/59/64/1073805964.db2.gz SCNBRXQLZPVTFN-FFZOFVMBSA-N 2 1 393.532 -1.033 20 0 GAADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001118926032 1073806948 /nfs/dbraw/zinc/80/69/48/1073806948.db2.gz YQGAQHNYRDXHGO-AWEZNQCLSA-N 2 1 383.493 -1.331 20 0 GAADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC001118926033 1073806840 /nfs/dbraw/zinc/80/68/40/1073806840.db2.gz YQGAQHNYRDXHGO-CQSZACIVSA-N 2 1 383.493 -1.331 20 0 GAADMP CN(CCOCC[NH3+])C(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001118960579 1073809756 /nfs/dbraw/zinc/80/97/56/1073809756.db2.gz TXPIGSDVWDWJGT-UHFFFAOYSA-N 2 1 383.493 -1.567 20 0 GAADMP O=C([C@H]1CC[C@@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001118978262 1073811414 /nfs/dbraw/zinc/81/14/14/1073811414.db2.gz REWLIKZUOJJCPV-BDXSIMOUSA-N 2 1 392.500 -1.433 20 0 GAADMP O=C([C@H]1CC[C@@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001118978262 1073811405 /nfs/dbraw/zinc/81/14/05/1073811405.db2.gz REWLIKZUOJJCPV-BDXSIMOUSA-N 2 1 392.500 -1.433 20 0 GAADMP O=C([C@@H]1CC[C@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001118978265 1073811309 /nfs/dbraw/zinc/81/13/09/1073811309.db2.gz REWLIKZUOJJCPV-BRSBDYLESA-N 2 1 392.500 -1.433 20 0 GAADMP O=C([C@@H]1CC[C@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC001118978265 1073811297 /nfs/dbraw/zinc/81/12/97/1073811297.db2.gz REWLIKZUOJJCPV-BRSBDYLESA-N 2 1 392.500 -1.433 20 0 GAADMP CN1CCN(C)[C@H](CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001119189624 1073820464 /nfs/dbraw/zinc/82/04/64/1073820464.db2.gz UYMISXZXBCUQHA-BRWVUGGUSA-N 2 1 382.553 -1.454 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119189624 1073820447 /nfs/dbraw/zinc/82/04/47/1073820447.db2.gz UYMISXZXBCUQHA-BRWVUGGUSA-N 3 1 382.553 -1.454 20 0 GAADMP CN1CCN(C)[C@@H](CNC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC001119189625 1073820313 /nfs/dbraw/zinc/82/03/13/1073820313.db2.gz UYMISXZXBCUQHA-ZACQAIPSSA-N 2 1 382.553 -1.454 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001119189625 1073820301 /nfs/dbraw/zinc/82/03/01/1073820301.db2.gz UYMISXZXBCUQHA-ZACQAIPSSA-N 3 1 382.553 -1.454 20 0 GAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119422584 1073823705 /nfs/dbraw/zinc/82/37/05/1073823705.db2.gz CXZGGBDTRFMGHL-CVEARBPZSA-N 2 1 383.493 -1.996 20 0 GAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119422584 1073823699 /nfs/dbraw/zinc/82/36/99/1073823699.db2.gz CXZGGBDTRFMGHL-CVEARBPZSA-N 2 1 383.493 -1.996 20 0 GAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119422587 1073823645 /nfs/dbraw/zinc/82/36/45/1073823645.db2.gz CXZGGBDTRFMGHL-HOTGVXAUSA-N 2 1 383.493 -1.996 20 0 GAADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119422587 1073823631 /nfs/dbraw/zinc/82/36/31/1073823631.db2.gz CXZGGBDTRFMGHL-HOTGVXAUSA-N 2 1 383.493 -1.996 20 0 GAADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119422589 1073823678 /nfs/dbraw/zinc/82/36/78/1073823678.db2.gz CXZGGBDTRFMGHL-HZPDHXFCSA-N 2 1 383.493 -1.996 20 0 GAADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119422589 1073823669 /nfs/dbraw/zinc/82/36/69/1073823669.db2.gz CXZGGBDTRFMGHL-HZPDHXFCSA-N 2 1 383.493 -1.996 20 0 GAADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001119422591 1073823893 /nfs/dbraw/zinc/82/38/93/1073823893.db2.gz CXZGGBDTRFMGHL-JKSUJKDBSA-N 2 1 383.493 -1.996 20 0 GAADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001119422591 1073823879 /nfs/dbraw/zinc/82/38/79/1073823879.db2.gz CXZGGBDTRFMGHL-JKSUJKDBSA-N 2 1 383.493 -1.996 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC001119469139 1073824237 /nfs/dbraw/zinc/82/42/37/1073824237.db2.gz QJEPZEHDQRNZND-KFWWJZLASA-N 2 1 394.476 -1.273 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC001119469140 1073824768 /nfs/dbraw/zinc/82/47/68/1073824768.db2.gz QJEPZEHDQRNZND-ZNMIVQPWSA-N 2 1 394.476 -1.273 20 0 GAADMP COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCO1 ZINC001119546035 1073825159 /nfs/dbraw/zinc/82/51/59/1073825159.db2.gz VPRAYRFXIXUGSS-OWCLPIDISA-N 2 1 394.472 -1.186 20 0 GAADMP COC(=O)[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCO1 ZINC001119546035 1073825146 /nfs/dbraw/zinc/82/51/46/1073825146.db2.gz VPRAYRFXIXUGSS-OWCLPIDISA-N 2 1 394.472 -1.186 20 0 GAADMP COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CCO1 ZINC001119546036 1073825214 /nfs/dbraw/zinc/82/52/14/1073825214.db2.gz VPRAYRFXIXUGSS-XHSDSOJGSA-N 2 1 394.472 -1.186 20 0 GAADMP COC(=O)[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCO1 ZINC001119546036 1073825203 /nfs/dbraw/zinc/82/52/03/1073825203.db2.gz VPRAYRFXIXUGSS-XHSDSOJGSA-N 2 1 394.472 -1.186 20 0 GAADMP C[C@H](O)C[NH+]1CCN(CC(=O)NC[C@H](C)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC001119825536 1073829947 /nfs/dbraw/zinc/82/99/47/1073829947.db2.gz RHOFDGGCDFWFLW-BZSNNMDCSA-N 2 1 385.553 -1.512 20 0 GAADMP C[C@H](CNC(=O)CN1CC[NH+](C[C@H](C)O)CC1)N1CC[NH+](C[C@H](C)O)CC1 ZINC001119825537 1073829827 /nfs/dbraw/zinc/82/98/27/1073829827.db2.gz RHOFDGGCDFWFLW-SQNIBIBYSA-N 2 1 385.553 -1.512 20 0 GAADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001120421181 1073837018 /nfs/dbraw/zinc/83/70/18/1073837018.db2.gz WCVSACNDFHMTSF-HZMVEIRTSA-N 2 1 379.505 -1.153 20 0 GAADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001120421182 1073836874 /nfs/dbraw/zinc/83/68/74/1073836874.db2.gz WCVSACNDFHMTSF-NXOAAHMSSA-N 2 1 379.505 -1.153 20 0 GAADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001120421183 1073837058 /nfs/dbraw/zinc/83/70/58/1073837058.db2.gz WCVSACNDFHMTSF-QAETUUGQSA-N 2 1 379.505 -1.153 20 0 GAADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001120421184 1073837165 /nfs/dbraw/zinc/83/71/65/1073837165.db2.gz WCVSACNDFHMTSF-YVSFHVDLSA-N 2 1 379.505 -1.153 20 0 GAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001120421528 1073837112 /nfs/dbraw/zinc/83/71/12/1073837112.db2.gz YNXBAQOMXCDZPT-CABCVRRESA-N 2 1 383.493 -1.508 20 0 GAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001120421529 1073836971 /nfs/dbraw/zinc/83/69/71/1073836971.db2.gz YNXBAQOMXCDZPT-GJZGRUSLSA-N 2 1 383.493 -1.508 20 0 GAADMP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001120421530 1073836822 /nfs/dbraw/zinc/83/68/22/1073836822.db2.gz YNXBAQOMXCDZPT-HUUCEWRRSA-N 2 1 383.493 -1.508 20 0 GAADMP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001120421531 1073836897 /nfs/dbraw/zinc/83/68/97/1073836897.db2.gz YNXBAQOMXCDZPT-LSDHHAIUSA-N 2 1 383.493 -1.508 20 0 GAADMP CN(C(=O)C1(C[NH3+])CC(O)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001122027754 1073844537 /nfs/dbraw/zinc/84/45/37/1073844537.db2.gz LUVWQHMHMGOECR-UHFFFAOYSA-N 2 1 381.521 -1.217 20 0 GAADMP O=C([C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001122071035 1073844422 /nfs/dbraw/zinc/84/44/22/1073844422.db2.gz OPSBTKRPNJNXJS-BMFZPTHFSA-N 2 1 386.518 -1.021 20 0 GAADMP O=C([C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001122071037 1073844585 /nfs/dbraw/zinc/84/45/85/1073844585.db2.gz OPSBTKRPNJNXJS-FVQBIDKESA-N 2 1 386.518 -1.021 20 0 GAADMP O=C([C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001122071039 1073844690 /nfs/dbraw/zinc/84/46/90/1073844690.db2.gz OPSBTKRPNJNXJS-KBMXLJTQSA-N 2 1 386.518 -1.021 20 0 GAADMP O=C([C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001122071042 1073844637 /nfs/dbraw/zinc/84/46/37/1073844637.db2.gz OPSBTKRPNJNXJS-VNQPRFMTSA-N 2 1 386.518 -1.021 20 0 GAADMP O=C(CN1CC[NH2+]CC1)N1CC[NH2+]CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC001122265086 1073845240 /nfs/dbraw/zinc/84/52/40/1073845240.db2.gz DEWGFAYLWAXUOB-UHFFFAOYSA-N 3 1 381.525 -2.943 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001123951112 1073850829 /nfs/dbraw/zinc/85/08/29/1073850829.db2.gz UJUHIZGPTVMOSE-BRSBDYLESA-N 2 1 392.548 -1.224 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001123951116 1073850644 /nfs/dbraw/zinc/85/06/44/1073850644.db2.gz UJUHIZGPTVMOSE-TVFCKZIOSA-N 2 1 392.548 -1.224 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001123951116 1073850631 /nfs/dbraw/zinc/85/06/31/1073850631.db2.gz UJUHIZGPTVMOSE-TVFCKZIOSA-N 2 1 392.548 -1.224 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCCCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001123951116 1073850619 /nfs/dbraw/zinc/85/06/19/1073850619.db2.gz UJUHIZGPTVMOSE-TVFCKZIOSA-N 2 1 392.548 -1.224 20 0 GAADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001123951119 1073850463 /nfs/dbraw/zinc/85/04/63/1073850463.db2.gz UJUHIZGPTVMOSE-USTZCAOPSA-N 2 1 392.548 -1.224 20 0 GAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001123951119 1073850449 /nfs/dbraw/zinc/85/04/49/1073850449.db2.gz UJUHIZGPTVMOSE-USTZCAOPSA-N 2 1 392.548 -1.224 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001123951119 1073850432 /nfs/dbraw/zinc/85/04/32/1073850432.db2.gz UJUHIZGPTVMOSE-USTZCAOPSA-N 2 1 392.548 -1.224 20 0 GAADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCCNC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001123951122 1073850697 /nfs/dbraw/zinc/85/06/97/1073850697.db2.gz UJUHIZGPTVMOSE-XMTFNYHQSA-N 2 1 392.548 -1.224 20 0 GAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCCNC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001123951122 1073850684 /nfs/dbraw/zinc/85/06/84/1073850684.db2.gz UJUHIZGPTVMOSE-XMTFNYHQSA-N 2 1 392.548 -1.224 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001123951122 1073850670 /nfs/dbraw/zinc/85/06/70/1073850670.db2.gz UJUHIZGPTVMOSE-XMTFNYHQSA-N 2 1 392.548 -1.224 20 0 GAADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129850248 1075020418 /nfs/dbraw/zinc/02/04/18/1075020418.db2.gz VDASPVJWXKZQQK-DGAVXFQQSA-N 2 1 392.464 -1.455 20 0 GAADMP CNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129855450 1075020860 /nfs/dbraw/zinc/02/08/60/1075020860.db2.gz LMUXGDYZXFCJTR-SYQHCUMBSA-N 2 1 392.464 -1.585 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129856185 1075021000 /nfs/dbraw/zinc/02/10/00/1075021000.db2.gz ZXSMFUBZCWWGSF-LPWJVIDDSA-N 2 1 378.437 -1.845 20 0 GAADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCOCCO)[C@@H](n3ccnn3)C2)O1 ZINC001129912492 1075021497 /nfs/dbraw/zinc/02/14/97/1075021497.db2.gz KNUGPQPPSFAHSO-LVQVYYBASA-N 2 1 382.465 -1.652 20 0 GAADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCOCCO)[C@@H](n3ccnn3)C2)O1 ZINC001129912492 1075021495 /nfs/dbraw/zinc/02/14/95/1075021495.db2.gz KNUGPQPPSFAHSO-LVQVYYBASA-N 2 1 382.465 -1.652 20 0 GAADMP C[C@@H]1[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC(N)=O)[nH]2)CC[N@H+]1C ZINC001130212854 1075024622 /nfs/dbraw/zinc/02/46/22/1075024622.db2.gz HPWIZRNNYBPFAN-NDBYEHHHSA-N 2 1 379.465 -1.292 20 0 GAADMP C[C@@H]1[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CC(N)=O)[nH]2)CC[N@@H+]1C ZINC001130212854 1075024618 /nfs/dbraw/zinc/02/46/18/1075024618.db2.gz HPWIZRNNYBPFAN-NDBYEHHHSA-N 2 1 379.465 -1.292 20 0 GAADMP C[C@@H]1[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CC(N)=O)n[nH]2)CC[N@H+]1C ZINC001130212854 1075024611 /nfs/dbraw/zinc/02/46/11/1075024611.db2.gz HPWIZRNNYBPFAN-NDBYEHHHSA-N 2 1 379.465 -1.292 20 0 GAADMP CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001130213244 1075024676 /nfs/dbraw/zinc/02/46/76/1075024676.db2.gz VTVCZSNMRIGBSF-MQYQWHSLSA-N 2 1 393.492 -1.031 20 0 GAADMP CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001130213244 1075024672 /nfs/dbraw/zinc/02/46/72/1075024672.db2.gz VTVCZSNMRIGBSF-MQYQWHSLSA-N 2 1 393.492 -1.031 20 0 GAADMP CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001130213244 1075024668 /nfs/dbraw/zinc/02/46/68/1075024668.db2.gz VTVCZSNMRIGBSF-MQYQWHSLSA-N 2 1 393.492 -1.031 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001130592828 1075026101 /nfs/dbraw/zinc/02/61/01/1075026101.db2.gz GVCWRPLEZFNISW-GUIRCDHDSA-N 2 1 391.476 -1.161 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001130994266 1075028994 /nfs/dbraw/zinc/02/89/94/1075028994.db2.gz QWFSUNBVJMZWPP-AAVRWANBSA-N 2 1 391.476 -1.161 20 0 GAADMP C[C@@H](CN1CC[NH2+]CC1)Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001154748379 1073915856 /nfs/dbraw/zinc/91/58/56/1073915856.db2.gz ZEUMGLAOHWUSFB-HNNXBMFYSA-N 2 1 392.508 -1.328 20 0 GAADMP C1[NH2+][C@@H]2COC[C@@H]2[C@@H]1Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001155502624 1073917700 /nfs/dbraw/zinc/91/77/00/1073917700.db2.gz JZGKRKPDNGJVML-MGPQQGTHSA-N 2 1 377.449 -1.635 20 0 GAADMP C1C[C@H]2[NH2+]C[C@H](Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)[C@H]2O1 ZINC001155634480 1073918599 /nfs/dbraw/zinc/91/85/99/1073918599.db2.gz CLMNXWQMRGFHAN-RDBSUJKOSA-N 2 1 377.449 -1.492 20 0 GAADMP NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157308930 1073924320 /nfs/dbraw/zinc/92/43/20/1073924320.db2.gz AWFUSWQKNLJTQM-CVEARBPZSA-N 2 1 390.488 -1.934 20 0 GAADMP NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001157308931 1073924267 /nfs/dbraw/zinc/92/42/67/1073924267.db2.gz AWFUSWQKNLJTQM-HOTGVXAUSA-N 2 1 390.488 -1.934 20 0 GAADMP CN1C[C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)OC2(CC[NH2+]CC2)C1 ZINC001158112053 1073931959 /nfs/dbraw/zinc/93/19/59/1073931959.db2.gz UDWBZFXDZKNMBO-AUUYWEPGSA-N 2 1 377.489 -1.623 20 0 GAADMP C[N@H+]1C[C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)OC2(CC[NH2+]CC2)C1 ZINC001158112053 1073931952 /nfs/dbraw/zinc/93/19/52/1073931952.db2.gz UDWBZFXDZKNMBO-AUUYWEPGSA-N 3 1 377.489 -1.623 20 0 GAADMP CN1C[C@@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)OC2(CC[NH2+]CC2)C1 ZINC001158112054 1073931903 /nfs/dbraw/zinc/93/19/03/1073931903.db2.gz UDWBZFXDZKNMBO-IFXJQAMLSA-N 2 1 377.489 -1.623 20 0 GAADMP C[N@H+]1C[C@@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)OC2(CC[NH2+]CC2)C1 ZINC001158112054 1073931895 /nfs/dbraw/zinc/93/18/95/1073931895.db2.gz UDWBZFXDZKNMBO-IFXJQAMLSA-N 3 1 377.489 -1.623 20 0 GAADMP CN1C[C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)OC2(CC[NH2+]CC2)C1 ZINC001158112055 1073931879 /nfs/dbraw/zinc/93/18/79/1073931879.db2.gz UDWBZFXDZKNMBO-KUHUBIRLSA-N 2 1 377.489 -1.623 20 0 GAADMP C[N@H+]1C[C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)OC2(CC[NH2+]CC2)C1 ZINC001158112055 1073931869 /nfs/dbraw/zinc/93/18/69/1073931869.db2.gz UDWBZFXDZKNMBO-KUHUBIRLSA-N 3 1 377.489 -1.623 20 0 GAADMP CN1C[C@@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)OC2(CC[NH2+]CC2)C1 ZINC001158112056 1073932000 /nfs/dbraw/zinc/93/20/00/1073932000.db2.gz UDWBZFXDZKNMBO-LIRRHRJNSA-N 2 1 377.489 -1.623 20 0 GAADMP C[N@H+]1C[C@@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)OC2(CC[NH2+]CC2)C1 ZINC001158112056 1073931990 /nfs/dbraw/zinc/93/19/90/1073931990.db2.gz UDWBZFXDZKNMBO-LIRRHRJNSA-N 3 1 377.489 -1.623 20 0 GAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630703 1073935412 /nfs/dbraw/zinc/93/54/12/1073935412.db2.gz WCKPEMFYYVMNGP-ZDUSSCGKSA-N 2 1 379.465 -1.175 20 0 GAADMP CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001158735970 1073936071 /nfs/dbraw/zinc/93/60/71/1073936071.db2.gz XKJRMODREFFMJR-BDJLRTHQSA-N 2 1 383.474 -1.192 20 0 GAADMP [NH3+][C@@H]1CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC12COC2 ZINC001158764218 1073936740 /nfs/dbraw/zinc/93/67/40/1073936740.db2.gz MEDJXOLPUULDAU-CYBMUJFWSA-N 2 1 377.449 -1.291 20 0 GAADMP [NH3+][C@H]1CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC12COC2 ZINC001158764371 1073936863 /nfs/dbraw/zinc/93/68/63/1073936863.db2.gz MEDJXOLPUULDAU-ZDUSSCGKSA-N 2 1 377.449 -1.291 20 0 GAADMP CC(C)[N@@H+](C)Cc1[nH]nc2c1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001158855532 1073938488 /nfs/dbraw/zinc/93/84/88/1073938488.db2.gz GVXNZPDWZISCNF-AAEUAGOBSA-N 2 1 393.492 -1.158 20 0 GAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2 ZINC001158890243 1073938763 /nfs/dbraw/zinc/93/87/63/1073938763.db2.gz BUOKMEHICZLMDQ-STQMWFEESA-N 2 1 396.492 -2.103 20 0 GAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CN(CC[NH3+])S(C)(=O)=O)CC2 ZINC001158890766 1073938411 /nfs/dbraw/zinc/93/84/11/1073938411.db2.gz MOOQXGKIZVADQQ-UHFFFAOYSA-N 2 1 389.522 -1.590 20 0 GAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)CC2 ZINC001158890961 1073938538 /nfs/dbraw/zinc/93/85/38/1073938538.db2.gz RBWGEMSPNAHJGQ-INIZCTEOSA-N 2 1 380.537 -1.060 20 0 GAADMP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@@H](N)CN1CCC([NH3+])CC1)CC2 ZINC001158890961 1073938530 /nfs/dbraw/zinc/93/85/30/1073938530.db2.gz RBWGEMSPNAHJGQ-INIZCTEOSA-N 2 1 380.537 -1.060 20 0 GAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158890961 1073938523 /nfs/dbraw/zinc/93/85/23/1073938523.db2.gz RBWGEMSPNAHJGQ-INIZCTEOSA-N 3 1 380.537 -1.060 20 0 GAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)CC2 ZINC001158890962 1073939292 /nfs/dbraw/zinc/93/92/92/1073939292.db2.gz RBWGEMSPNAHJGQ-MRXNPFEDSA-N 2 1 380.537 -1.060 20 0 GAADMP CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)[C@H](N)CN1CCC([NH3+])CC1)CC2 ZINC001158890962 1073939289 /nfs/dbraw/zinc/93/92/89/1073939289.db2.gz RBWGEMSPNAHJGQ-MRXNPFEDSA-N 2 1 380.537 -1.060 20 0 GAADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)CC2 ZINC001158890962 1073939285 /nfs/dbraw/zinc/93/92/85/1073939285.db2.gz RBWGEMSPNAHJGQ-MRXNPFEDSA-N 3 1 380.537 -1.060 20 0 GAADMP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001158992378 1073943079 /nfs/dbraw/zinc/94/30/79/1073943079.db2.gz VZSBRQSDGPJSBX-AWEZNQCLSA-N 2 1 378.477 -1.054 20 0 GAADMP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)C[NH2+]C2CC[NH2+]CC2)C1 ZINC001158992380 1073943566 /nfs/dbraw/zinc/94/35/66/1073943566.db2.gz VZSBRQSDGPJSBX-CQSZACIVSA-N 2 1 378.477 -1.054 20 0 GAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159135778 1073947374 /nfs/dbraw/zinc/94/73/74/1073947374.db2.gz ZJWZUELQUKAQFO-QCEMKRCNSA-N 2 1 388.472 -1.036 20 0 GAADMP O=C([C@@H]1COC[NH2+]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159395185 1073950053 /nfs/dbraw/zinc/95/00/53/1073950053.db2.gz UXFGLOSMLBUUAT-MELADBBJSA-N 2 1 393.469 -1.236 20 0 GAADMP CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC3)CC1 ZINC001159424967 1073949873 /nfs/dbraw/zinc/94/98/73/1073949873.db2.gz NVSXWUAFUJBAAO-HNNXBMFYSA-N 2 1 381.550 -1.008 20 0 GAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159599314 1073954551 /nfs/dbraw/zinc/95/45/51/1073954551.db2.gz LFJZJGRITPWMLV-AESZEHBQSA-N 2 1 395.485 -1.358 20 0 GAADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]([NH3+])Cc1c[nH]cn1)CC2 ZINC001159610349 1073955230 /nfs/dbraw/zinc/95/52/30/1073955230.db2.gz QNUCJBWVXBDXDL-INIZCTEOSA-N 2 1 391.520 -1.024 20 0 GAADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]([NH3+])Cc1c[nH]cn1)CC2 ZINC001159610351 1073955076 /nfs/dbraw/zinc/95/50/76/1073955076.db2.gz QNUCJBWVXBDXDL-MRXNPFEDSA-N 2 1 391.520 -1.024 20 0 GAADMP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001159611252 1073955118 /nfs/dbraw/zinc/95/51/18/1073955118.db2.gz XPTAOSWFQMNAQJ-HNNXBMFYSA-N 2 1 397.520 -1.036 20 0 GAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)CN3CCC([NH3+])CC3)CC[C@@H]2C1 ZINC001159634768 1073955927 /nfs/dbraw/zinc/95/59/27/1073955927.db2.gz CZFQATHEUJDFJE-BPQIPLTHSA-N 2 1 383.537 -1.068 20 0 GAADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H](N)CN3CCC([NH3+])CC3)CC[C@@H]2C1 ZINC001159634768 1073955924 /nfs/dbraw/zinc/95/59/24/1073955924.db2.gz CZFQATHEUJDFJE-BPQIPLTHSA-N 2 1 383.537 -1.068 20 0 GAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]([NH3+])CN3CCC([NH3+])CC3)CC[C@@H]2C1 ZINC001159634768 1073955921 /nfs/dbraw/zinc/95/59/21/1073955921.db2.gz CZFQATHEUJDFJE-BPQIPLTHSA-N 3 1 383.537 -1.068 20 0 GAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H](N)CN3CCC([NH3+])CC3)CC[C@@H]2C1 ZINC001159634769 1073955910 /nfs/dbraw/zinc/95/59/10/1073955910.db2.gz CZFQATHEUJDFJE-KBAYOESNSA-N 2 1 383.537 -1.068 20 0 GAADMP COCC[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H](N)CN3CCC([NH3+])CC3)CC[C@@H]2C1 ZINC001159634769 1073955905 /nfs/dbraw/zinc/95/59/05/1073955905.db2.gz CZFQATHEUJDFJE-KBAYOESNSA-N 2 1 383.537 -1.068 20 0 GAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]([NH3+])CN3CCC([NH3+])CC3)CC[C@@H]2C1 ZINC001159634769 1073955903 /nfs/dbraw/zinc/95/59/03/1073955903.db2.gz CZFQATHEUJDFJE-KBAYOESNSA-N 3 1 383.537 -1.068 20 0 GAADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC[C@@H]2C1 ZINC001159636065 1073955817 /nfs/dbraw/zinc/95/58/17/1073955817.db2.gz RCTXAYJRVCVGAE-LJISPDSOSA-N 2 1 399.492 -2.111 20 0 GAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668160 1073956916 /nfs/dbraw/zinc/95/69/16/1073956916.db2.gz WUEWXXVKVCRMHU-HJWJTTGWSA-N 2 1 391.472 -1.292 20 0 GAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001159668161 1073956896 /nfs/dbraw/zinc/95/68/96/1073956896.db2.gz WUEWXXVKVCRMHU-LLLHUVSDSA-N 2 1 391.472 -1.292 20 0 GAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668162 1073956983 /nfs/dbraw/zinc/95/69/83/1073956983.db2.gz WUEWXXVKVCRMHU-ORQFMDKSSA-N 2 1 391.472 -1.292 20 0 GAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001159668163 1073957017 /nfs/dbraw/zinc/95/70/17/1073957017.db2.gz WUEWXXVKVCRMHU-SVGFKBNWSA-N 2 1 391.472 -1.292 20 0 GAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4c3CC[NH2+]CC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160086207 1073961605 /nfs/dbraw/zinc/96/16/05/1073961605.db2.gz CZZFZAQRZSFJJT-XKVFNRALSA-N 2 1 389.416 -2.123 20 0 GAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4c3CC[NH2+]C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160086955 1073961559 /nfs/dbraw/zinc/96/15/59/1073961559.db2.gz NXZHEKITZBDXAI-BPGGGUHBSA-N 2 1 375.389 -2.165 20 0 GAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ncc4c(n3)CC[NH2+]C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087644 1073962662 /nfs/dbraw/zinc/96/26/62/1073962662.db2.gz ZZLLLPZQJNDIDH-FMKGYKFTSA-N 2 1 375.389 -2.165 20 0 GAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cc4c(nn3)CC[NH2+]C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160088365 1073963885 /nfs/dbraw/zinc/96/38/85/1073963885.db2.gz VAJKVSGVTWDXGS-JUDXGUMMSA-N 2 1 375.389 -2.165 20 0 GAADMP C[NH+](C)Cc1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001160092818 1073965234 /nfs/dbraw/zinc/96/52/34/1073965234.db2.gz MBWNAAZUNLNVPQ-RAEVTNRLSA-N 2 1 376.417 -1.144 20 0 GAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cc(-n4ccnc4)cc[nH+]3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160093198 1073965161 /nfs/dbraw/zinc/96/51/61/1073965161.db2.gz VHONDMFZLUTJQY-RAEVTNRLSA-N 2 1 385.384 -1.020 20 0 GAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cc(C4C[NH2+]C4)ncn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160094070 1073965091 /nfs/dbraw/zinc/96/50/91/1073965091.db2.gz IWBJJSXYHXKUGS-JUDXGUMMSA-N 2 1 375.389 -2.124 20 0 GAADMP Cc1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1C1C[NH2+]C1 ZINC001160094106 1073965207 /nfs/dbraw/zinc/96/52/07/1073965207.db2.gz KPSUABHFZSMAPG-PZTHBURQSA-N 2 1 389.416 -1.816 20 0 GAADMP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH2+]CCC[NH3+])C(=O)NCC(N)=O ZINC001160630143 1073976629 /nfs/dbraw/zinc/97/66/29/1073976629.db2.gz WJBSXZGNVQRCEK-KBPBESRZSA-N 2 1 398.508 -1.952 20 0 GAADMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)C[C@H]2C1 ZINC001160705672 1073978798 /nfs/dbraw/zinc/97/87/98/1073978798.db2.gz ZLOVJULICHJEPG-FSDCSDTHSA-N 2 1 376.457 -1.241 20 0 GAADMP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160774210 1073980141 /nfs/dbraw/zinc/98/01/41/1073980141.db2.gz QGMFILFSJBVRIQ-CHWSQXEVSA-N 2 1 388.490 -2.075 20 0 GAADMP COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160774220 1073980115 /nfs/dbraw/zinc/98/01/15/1073980115.db2.gz QGMFILFSJBVRIQ-OLZOCXBDSA-N 2 1 388.490 -2.075 20 0 GAADMP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160774221 1073980230 /nfs/dbraw/zinc/98/02/30/1073980230.db2.gz QGMFILFSJBVRIQ-QWHCGFSZSA-N 2 1 388.490 -2.075 20 0 GAADMP COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1)C2 ZINC001160774222 1073980080 /nfs/dbraw/zinc/98/00/80/1073980080.db2.gz QGMFILFSJBVRIQ-STQMWFEESA-N 2 1 388.490 -2.075 20 0 GAADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@H](N)CN3CCC([NH3+])CC3)C[C@H]1C2 ZINC001160797283 1073980650 /nfs/dbraw/zinc/98/06/50/1073980650.db2.gz NGMFFHZPXMQQOU-NHMNCCLUSA-N 2 1 379.505 -1.406 20 0 GAADMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(C(=O)[C@@H](N)CN3CCC([NH3+])CC3)C[C@H]1C2 ZINC001160797284 1073981142 /nfs/dbraw/zinc/98/11/42/1073981142.db2.gz NGMFFHZPXMQQOU-NWBKRVSMSA-N 2 1 379.505 -1.406 20 0 GAADMP O=C([C@@H]1C[C@H](N2CCN(C(=O)[C@@H]3COC[NH2+]3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161118195 1073985374 /nfs/dbraw/zinc/98/53/74/1073985374.db2.gz ANJWYONQKWNYNX-IHRRRGAJSA-N 2 1 387.431 -1.325 20 0 GAADMP [NH3+]C1(C(=O)N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCC(F)(F)C4)C3)CC2)COC1 ZINC001161119989 1073985285 /nfs/dbraw/zinc/98/52/85/1073985285.db2.gz XCSVZNUGABCETR-STQMWFEESA-N 2 1 387.431 -1.544 20 0 GAADMP [NH3+]CC[C@H]([NH3+])C(=O)N1CCN([C@@H]2C[NH2+][C@H](C(=O)N3CCC(F)(F)C3)C2)CC1 ZINC001161124515 1073985209 /nfs/dbraw/zinc/98/52/09/1073985209.db2.gz XQHYHEOEVASSRY-IHRRRGAJSA-N 3 1 388.463 -1.595 20 0 GAADMP CCC[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C[C@H]2C1 ZINC001161176268 1073985790 /nfs/dbraw/zinc/98/57/90/1073985790.db2.gz RQLCYHPZLINZHY-BETUJISGSA-N 2 1 382.465 -2.906 20 0 GAADMP O=C([C@H]1COC2(C[NH2+]C2)CN1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196396 1073986423 /nfs/dbraw/zinc/98/64/23/1073986423.db2.gz GCUXANLAQXYLKB-GOSISDBHSA-N 3 1 395.548 -1.133 20 0 GAADMP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196397 1073986472 /nfs/dbraw/zinc/98/64/72/1073986472.db2.gz GCUXANLAQXYLKB-SFHVURJKSA-N 3 1 395.548 -1.133 20 0 GAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377090 1073988115 /nfs/dbraw/zinc/98/81/15/1073988115.db2.gz FGFUYTPYROTQLD-BPUTZDHNSA-N 3 1 394.520 -1.535 20 0 GAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161377092 1073988747 /nfs/dbraw/zinc/98/87/47/1073988747.db2.gz FGFUYTPYROTQLD-IMJJTQAJSA-N 3 1 394.520 -1.535 20 0 GAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378758 1073988572 /nfs/dbraw/zinc/98/85/72/1073988572.db2.gz MQWQVVUFTGGZGU-CYBMUJFWSA-N 3 1 397.480 -3.682 20 0 GAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378763 1073988847 /nfs/dbraw/zinc/98/88/47/1073988847.db2.gz MQWQVVUFTGGZGU-ZDUSSCGKSA-N 3 1 397.480 -3.682 20 0 GAADMP C[NH+](C)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@@H]1CCC[NH2+]C1 ZINC001161444031 1073989450 /nfs/dbraw/zinc/98/94/50/1073989450.db2.gz ACVIEHWPRURGCH-CYBMUJFWSA-N 2 1 399.496 -3.564 20 0 GAADMP C[NH+](C)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)CN)[C@H]1CCC[NH2+]C1 ZINC001161444032 1073989310 /nfs/dbraw/zinc/98/93/10/1073989310.db2.gz ACVIEHWPRURGCH-ZDUSSCGKSA-N 2 1 399.496 -3.564 20 0 GAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161448899 1073989439 /nfs/dbraw/zinc/98/94/39/1073989439.db2.gz IUFBFNXWYDZVOW-JYJNAYRXSA-N 2 1 396.536 -1.417 20 0 GAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161448903 1073989294 /nfs/dbraw/zinc/98/92/94/1073989294.db2.gz IUFBFNXWYDZVOW-XHSDSOJGSA-N 2 1 396.536 -1.417 20 0 GAADMP C[N@@H+](C1CN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C1)[C@H]1CCOC1 ZINC001161499514 1073990692 /nfs/dbraw/zinc/99/06/92/1073990692.db2.gz OSPBLQCDSNSTNR-NSHDSACASA-N 2 1 384.437 -3.775 20 0 GAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001161500997 1073990805 /nfs/dbraw/zinc/99/08/05/1073990805.db2.gz WMTKZCGLSGSMHF-YDHLFZDLSA-N 2 1 381.477 -1.628 20 0 GAADMP [NH3+]C1CCN(CCNc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001161867160 1074001786 /nfs/dbraw/zinc/00/17/86/1074001786.db2.gz LMWWWYUCHTZIRO-UHFFFAOYSA-N 2 1 392.508 -1.198 20 0 GAADMP C1CN2CCN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@@H]2C[NH2+]1 ZINC001164392114 718829898 /nfs/dbraw/zinc/82/98/98/718829898.db2.gz MXZXYFPVMOCKRQ-HNNXBMFYSA-N 2 1 390.492 -1.361 20 0 GAADMP C1CN2CCN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C[C@H]2C[NH2+]1 ZINC001164392117 718829817 /nfs/dbraw/zinc/82/98/17/718829817.db2.gz MXZXYFPVMOCKRQ-OAHLLOKOSA-N 2 1 390.492 -1.361 20 0 GAADMP [NH3+][C@H]1[C@H](n2ccc(NC3CC[NH+](CC4CC4)CC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001168362957 1074396850 /nfs/dbraw/zinc/39/68/50/1074396850.db2.gz NPYKLAISVIDBRE-MWQQHZPXSA-N 2 1 379.461 -1.058 20 0 GAADMP Cc1cn(CC(=O)NCCNc2nc(N3CC[NH2+]CC3)cc[nH+]2)c(=O)[nH]c1=O ZINC001171081874 1075052893 /nfs/dbraw/zinc/05/28/93/1075052893.db2.gz MSTGJUHVLWTVPB-UHFFFAOYSA-N 2 1 388.432 -1.315 20 0 GAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ncc4c(n3)C[NH2+]CC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260833 1075077599 /nfs/dbraw/zinc/07/75/99/1075077599.db2.gz FSTRBGVGSQFYFN-FMKGYKFTSA-N 2 1 375.389 -2.165 20 0 GAADMP Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc2c1C[NH2+]CC2 ZINC001171260996 1075077557 /nfs/dbraw/zinc/07/75/57/1075077557.db2.gz JMEPNMYRZHAVSZ-BASLNEPJSA-N 2 1 388.428 -1.252 20 0 GAADMP C[NH+](C)Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171261909 1075078224 /nfs/dbraw/zinc/07/82/24/1075078224.db2.gz FHNVXNODTIAKPF-RAEVTNRLSA-N 2 1 376.417 -1.144 20 0 GAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3nccc(C4C[NH2+]C4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262269 1075078806 /nfs/dbraw/zinc/07/88/06/1075078806.db2.gz BZIXGRSSBOFARO-FMKGYKFTSA-N 2 1 375.389 -2.124 20 0 GAADMP C[N@H+]1CCc2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2C1 ZINC001171262334 1075078817 /nfs/dbraw/zinc/07/88/17/1075078817.db2.gz CWENNPJINQGVPY-XKVFNRALSA-N 2 1 389.416 -1.823 20 0 GAADMP C[N@@H+]1CCc2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2C1 ZINC001171262334 1075078815 /nfs/dbraw/zinc/07/88/15/1075078815.db2.gz CWENNPJINQGVPY-XKVFNRALSA-N 2 1 389.416 -1.823 20 0 GAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c(n3)OCC[NH2+]C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263215 1075079010 /nfs/dbraw/zinc/07/90/10/1075079010.db2.gz WUSFCHZGVLRWJA-DSPGLSBSSA-N 2 1 390.400 -1.558 20 0 GAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(OC4C[NH2+]C4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266098 1075079972 /nfs/dbraw/zinc/07/99/72/1075079972.db2.gz CERFJJMFJKAYMU-RAEVTNRLSA-N 2 1 390.400 -1.855 20 0 GAADMP [NH3+][C@H]1[C@H](n2ccc(Nc3cccnc3OC3C[NH2+]C3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266964 1075080212 /nfs/dbraw/zinc/08/02/12/1075080212.db2.gz PSXSKJZMZLGZJK-XKVFNRALSA-N 2 1 390.400 -1.855 20 0 GAADMP COCCC[NH+]1CCC(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)CC1 ZINC001172248087 1075092764 /nfs/dbraw/zinc/09/27/64/1075092764.db2.gz WTRUBUIDDWTYAP-MWQQHZPXSA-N 2 1 397.476 -1.432 20 0 GAADMP CC[N@H+]1CC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001173352538 1075094180 /nfs/dbraw/zinc/09/41/80/1075094180.db2.gz PPQBBEQIBMQUEF-QCYOOCKDSA-N 2 1 379.421 -1.980 20 0 GAADMP CC[N@H+]1CC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001173352539 1075094332 /nfs/dbraw/zinc/09/43/32/1075094332.db2.gz PPQBBEQIBMQUEF-WLBJOZJFSA-N 2 1 379.421 -1.980 20 0 GAADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC001178947814 1075317202 /nfs/dbraw/zinc/31/72/02/1075317202.db2.gz BFYCTKGKCVVTAC-UHFFFAOYSA-N 2 1 394.564 -1.069 20 0 GAADMP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)CC2)CC1 ZINC001179018018 1075317586 /nfs/dbraw/zinc/31/75/86/1075317586.db2.gz VZHFPQSNKLQWPU-IKGGRYGDSA-N 2 1 379.509 -1.772 20 0 GAADMP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)CC2)CC1 ZINC001179018024 1075317509 /nfs/dbraw/zinc/31/75/09/1075317509.db2.gz VZHFPQSNKLQWPU-IXDOHACOSA-N 2 1 379.509 -1.772 20 0 GAADMP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)CC2)CC1 ZINC001179018026 1075317563 /nfs/dbraw/zinc/31/75/63/1075317563.db2.gz VZHFPQSNKLQWPU-ULQDDVLXSA-N 2 1 379.509 -1.772 20 0 GAADMP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)CC2)CC1 ZINC001179018028 1075317555 /nfs/dbraw/zinc/31/75/55/1075317555.db2.gz VZHFPQSNKLQWPU-YESZJQIVSA-N 2 1 379.509 -1.772 20 0 GAADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001180409331 1075324536 /nfs/dbraw/zinc/32/45/36/1075324536.db2.gz DPJJJTQCSORKKR-BIVLZKPYSA-N 2 1 388.472 -1.573 20 0 GAADMP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001180409331 1075324534 /nfs/dbraw/zinc/32/45/34/1075324534.db2.gz DPJJJTQCSORKKR-BIVLZKPYSA-N 2 1 388.472 -1.573 20 0 GAADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001180409332 1075324580 /nfs/dbraw/zinc/32/45/80/1075324580.db2.gz DPJJJTQCSORKKR-BQJWPVKWSA-N 2 1 388.472 -1.573 20 0 GAADMP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001180409332 1075324575 /nfs/dbraw/zinc/32/45/75/1075324575.db2.gz DPJJJTQCSORKKR-BQJWPVKWSA-N 2 1 388.472 -1.573 20 0 GAADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001180409333 1075324495 /nfs/dbraw/zinc/32/44/95/1075324495.db2.gz DPJJJTQCSORKKR-JZAWBGDQSA-N 2 1 388.472 -1.573 20 0 GAADMP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001180409333 1075324494 /nfs/dbraw/zinc/32/44/94/1075324494.db2.gz DPJJJTQCSORKKR-JZAWBGDQSA-N 2 1 388.472 -1.573 20 0 GAADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001180409334 1075324604 /nfs/dbraw/zinc/32/46/04/1075324604.db2.gz DPJJJTQCSORKKR-QEOTZNIISA-N 2 1 388.472 -1.573 20 0 GAADMP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001180409334 1075324600 /nfs/dbraw/zinc/32/46/00/1075324600.db2.gz DPJJJTQCSORKKR-QEOTZNIISA-N 2 1 388.472 -1.573 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001185250191 1075350588 /nfs/dbraw/zinc/35/05/88/1075350588.db2.gz DDMFNKLKFFUKQF-KRWDZBQOSA-N 2 1 394.564 -1.071 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001185250200 1075350430 /nfs/dbraw/zinc/35/04/30/1075350430.db2.gz DDMFNKLKFFUKQF-QGZVFWFLSA-N 2 1 394.564 -1.071 20 0 GAADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C[N@H+]1CC[C@H](O)C1)CC2 ZINC001186037281 1075355414 /nfs/dbraw/zinc/35/54/14/1075355414.db2.gz GYQBVCUTQHRWCX-INIZCTEOSA-N 2 1 381.521 -1.250 20 0 GAADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)CC2 ZINC001186037296 1075355622 /nfs/dbraw/zinc/35/56/22/1075355622.db2.gz GYQBVCUTQHRWCX-MRXNPFEDSA-N 2 1 381.521 -1.250 20 0 GAADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001193057262 1075389760 /nfs/dbraw/zinc/38/97/60/1075389760.db2.gz MFYQIEKITHWJTM-TVFCKZIOSA-N 2 1 385.505 -1.097 20 0 GAADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001193057262 1075389758 /nfs/dbraw/zinc/38/97/58/1075389758.db2.gz MFYQIEKITHWJTM-TVFCKZIOSA-N 2 1 385.505 -1.097 20 0 GAADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193086380 1075389741 /nfs/dbraw/zinc/38/97/41/1075389741.db2.gz WXXOBUGYQFPYLM-KBUPBQIOSA-N 2 1 376.523 -1.183 20 0 GAADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001193086380 1075389737 /nfs/dbraw/zinc/38/97/37/1075389737.db2.gz WXXOBUGYQFPYLM-KBUPBQIOSA-N 2 1 376.523 -1.183 20 0 GAADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193086380 1075389731 /nfs/dbraw/zinc/38/97/31/1075389731.db2.gz WXXOBUGYQFPYLM-KBUPBQIOSA-N 2 1 376.523 -1.183 20 0 GAADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193086380 1075389725 /nfs/dbraw/zinc/38/97/25/1075389725.db2.gz WXXOBUGYQFPYLM-KBUPBQIOSA-N 2 1 376.523 -1.183 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]2O)CC[NH+]1C ZINC001193102596 1075390158 /nfs/dbraw/zinc/39/01/58/1075390158.db2.gz KTQDWAQRPNPRLA-KBUPBQIOSA-N 2 1 376.523 -1.231 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]2O)CC[NH+]1C ZINC001193102596 1075390155 /nfs/dbraw/zinc/39/01/55/1075390155.db2.gz KTQDWAQRPNPRLA-KBUPBQIOSA-N 2 1 376.523 -1.231 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]2O)CC[N@H+]1C ZINC001193102596 1075390151 /nfs/dbraw/zinc/39/01/51/1075390151.db2.gz KTQDWAQRPNPRLA-KBUPBQIOSA-N 2 1 376.523 -1.231 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001193102596 1075390147 /nfs/dbraw/zinc/39/01/47/1075390147.db2.gz KTQDWAQRPNPRLA-KBUPBQIOSA-N 2 1 376.523 -1.231 20 0 GAADMP C[NH+]1CCN(c2ncc(C[NH2+]CCN3CCN(S(C)(=O)=O)CC3)cn2)CC1 ZINC001200233309 1075227125 /nfs/dbraw/zinc/22/71/25/1075227125.db2.gz ZJFFZONRATZSBD-UHFFFAOYSA-N 2 1 397.549 -1.105 20 0 GAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccnc1N1CC[NH+](C)CC1 ZINC001218556663 1074020911 /nfs/dbraw/zinc/02/09/11/1074020911.db2.gz TVPQXFFGCDDZJJ-AAEUAGOBSA-N 2 1 377.449 -1.521 20 0 GAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001218573546 1074020773 /nfs/dbraw/zinc/02/07/73/1074020773.db2.gz XWQCSTBHBBYXMF-QWRGUYRKSA-N 2 1 378.437 -2.126 20 0 GAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001218580745 1074021177 /nfs/dbraw/zinc/02/11/77/1074021177.db2.gz WMMVLLSJCIRYSK-JQWIXIFHSA-N 2 1 378.437 -2.126 20 0 GAADMP Nc1cn(C(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620081 1074022441 /nfs/dbraw/zinc/02/24/41/1074022441.db2.gz NIZKQQQANQJIEN-KRWDZBQOSA-N 3 1 391.520 -1.306 20 0 GAADMP Nc1cn(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620081 1074022433 /nfs/dbraw/zinc/02/24/33/1074022433.db2.gz NIZKQQQANQJIEN-KRWDZBQOSA-N 3 1 391.520 -1.306 20 0 GAADMP Nc1cn(C(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620082 1074022550 /nfs/dbraw/zinc/02/25/50/1074022550.db2.gz NIZKQQQANQJIEN-QGZVFWFLSA-N 3 1 391.520 -1.306 20 0 GAADMP Nc1cn(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)ccc1=[NH+]CCN1CCOCC1 ZINC001218620082 1074022544 /nfs/dbraw/zinc/02/25/44/1074022544.db2.gz NIZKQQQANQJIEN-QGZVFWFLSA-N 3 1 391.520 -1.306 20 0 GAADMP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218620359 1074022275 /nfs/dbraw/zinc/02/22/75/1074022275.db2.gz PWKCAPTXPINLCN-JSGCOSHPSA-N 2 1 380.449 -2.232 20 0 GAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218741448 1074024830 /nfs/dbraw/zinc/02/48/30/1074024830.db2.gz ONYKPIIUXHTDND-UHFFFAOYSA-N 2 1 388.388 -2.487 20 0 GAADMP Nc1ncn(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775720 1074025832 /nfs/dbraw/zinc/02/58/32/1074025832.db2.gz DEBKRZLAXLDAMH-ADEWGFFLSA-N 2 1 394.867 -1.077 20 0 GAADMP Nc1ncn(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775721 1074026164 /nfs/dbraw/zinc/02/61/64/1074026164.db2.gz DEBKRZLAXLDAMH-DLOVCJGASA-N 2 1 394.867 -1.077 20 0 GAADMP Nc1ncn(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775722 1074026033 /nfs/dbraw/zinc/02/60/33/1074026033.db2.gz DEBKRZLAXLDAMH-JLLWLGSASA-N 2 1 394.867 -1.077 20 0 GAADMP Nc1ncn(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775723 1074026065 /nfs/dbraw/zinc/02/60/65/1074026065.db2.gz DEBKRZLAXLDAMH-MVWJERBFSA-N 2 1 394.867 -1.077 20 0 GAADMP Nc1ncn(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775724 1074026102 /nfs/dbraw/zinc/02/61/02/1074026102.db2.gz DEBKRZLAXLDAMH-USWWRNFRSA-N 2 1 394.867 -1.077 20 0 GAADMP Nc1ncn(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775725 1074025995 /nfs/dbraw/zinc/02/59/95/1074025995.db2.gz DEBKRZLAXLDAMH-WCQGTBRESA-N 2 1 394.867 -1.077 20 0 GAADMP Nc1ncn(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775726 1074025777 /nfs/dbraw/zinc/02/57/77/1074025777.db2.gz DEBKRZLAXLDAMH-YUSALJHKSA-N 2 1 394.867 -1.077 20 0 GAADMP Nc1ncn(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775727 1074025920 /nfs/dbraw/zinc/02/59/20/1074025920.db2.gz DEBKRZLAXLDAMH-ZMLRMANQSA-N 2 1 394.867 -1.077 20 0 GAADMP CC(=O)OC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218781508 1074027710 /nfs/dbraw/zinc/02/77/10/1074027710.db2.gz SPHXUUFZIODFAG-DCAQKATOSA-N 2 1 386.840 -1.480 20 0 GAADMP CC(=O)OC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218781509 1074027799 /nfs/dbraw/zinc/02/77/99/1074027799.db2.gz SPHXUUFZIODFAG-GARJFASQSA-N 2 1 386.840 -1.480 20 0 GAADMP CC(=O)OC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218781511 1074027659 /nfs/dbraw/zinc/02/76/59/1074027659.db2.gz SPHXUUFZIODFAG-OUAUKWLOSA-N 2 1 386.840 -1.480 20 0 GAADMP CC(=O)OC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218781512 1074027784 /nfs/dbraw/zinc/02/77/84/1074027784.db2.gz SPHXUUFZIODFAG-VWYCJHECSA-N 2 1 386.840 -1.480 20 0 GAADMP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)C[NH2+]CCC[NH3+])cc1Cl ZINC001218877203 1074029602 /nfs/dbraw/zinc/02/96/02/1074029602.db2.gz QASQODDDVXIVQM-UHFFFAOYSA-N 2 1 399.882 -1.488 20 0 GAADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001219652265 1074032657 /nfs/dbraw/zinc/03/26/57/1074032657.db2.gz MFYQIEKITHWJTM-BDXSIMOUSA-N 2 1 385.505 -1.097 20 0 GAADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001219652265 1074032651 /nfs/dbraw/zinc/03/26/51/1074032651.db2.gz MFYQIEKITHWJTM-BDXSIMOUSA-N 2 1 385.505 -1.097 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]2O)CC[NH+]1C ZINC001219656100 1074033407 /nfs/dbraw/zinc/03/34/07/1074033407.db2.gz KTQDWAQRPNPRLA-TUVASFSCSA-N 2 1 376.523 -1.231 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]2O)CC[NH+]1C ZINC001219656100 1074033397 /nfs/dbraw/zinc/03/33/97/1074033397.db2.gz KTQDWAQRPNPRLA-TUVASFSCSA-N 2 1 376.523 -1.231 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCS(=O)(=O)N(C)C)C[C@@H]2O)CC[N@H+]1C ZINC001219656100 1074033391 /nfs/dbraw/zinc/03/33/91/1074033391.db2.gz KTQDWAQRPNPRLA-TUVASFSCSA-N 2 1 376.523 -1.231 20 0 GAADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCCS(=O)(=O)N(C)C)C[C@@H]2O)CC[N@@H+]1C ZINC001219656100 1074033384 /nfs/dbraw/zinc/03/33/84/1074033384.db2.gz KTQDWAQRPNPRLA-TUVASFSCSA-N 2 1 376.523 -1.231 20 0 GAADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656314 1074033482 /nfs/dbraw/zinc/03/34/82/1074033482.db2.gz WXXOBUGYQFPYLM-TUVASFSCSA-N 2 1 376.523 -1.183 20 0 GAADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656314 1074033478 /nfs/dbraw/zinc/03/34/78/1074033478.db2.gz WXXOBUGYQFPYLM-TUVASFSCSA-N 2 1 376.523 -1.183 20 0 GAADMP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656314 1074033474 /nfs/dbraw/zinc/03/34/74/1074033474.db2.gz WXXOBUGYQFPYLM-TUVASFSCSA-N 2 1 376.523 -1.183 20 0 GAADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656314 1074033468 /nfs/dbraw/zinc/03/34/68/1074033468.db2.gz WXXOBUGYQFPYLM-TUVASFSCSA-N 2 1 376.523 -1.183 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219676149 1074034114 /nfs/dbraw/zinc/03/41/14/1074034114.db2.gz AJFSHIMGIUJLQE-INIZCTEOSA-N 2 1 399.517 -1.033 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H](c1ccco1)N1CCC[NH2+]CC1 ZINC001219676150 1074033737 /nfs/dbraw/zinc/03/37/37/1074033737.db2.gz AJFSHIMGIUJLQE-MRXNPFEDSA-N 2 1 399.517 -1.033 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219676291 1074033900 /nfs/dbraw/zinc/03/39/00/1074033900.db2.gz DVSIIHRZCIARDY-GFCCVEGCSA-N 2 1 398.493 -2.725 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219676292 1074033810 /nfs/dbraw/zinc/03/38/10/1074033810.db2.gz DVSIIHRZCIARDY-LBPRGKRZSA-N 2 1 398.493 -2.725 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219676450 1074033827 /nfs/dbraw/zinc/03/38/27/1074033827.db2.gz KUZZTZFKMGHPED-LLVKDONJSA-N 2 1 380.492 -2.886 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219676451 1074033864 /nfs/dbraw/zinc/03/38/64/1074033864.db2.gz KUZZTZFKMGHPED-NSHDSACASA-N 2 1 380.492 -2.886 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219676546 1074034132 /nfs/dbraw/zinc/03/41/32/1074034132.db2.gz OGNFSGAFWVGZKN-AWEZNQCLSA-N 2 1 396.517 -1.515 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1Cn2ccnc2C12CC[NH2+]CC2 ZINC001219676547 1074034000 /nfs/dbraw/zinc/03/40/00/1074034000.db2.gz OGNFSGAFWVGZKN-CQSZACIVSA-N 2 1 396.517 -1.515 20 0 GAADMP C[N@H+]1C[C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)OC2(CC[NH2+]CC2)C1 ZINC001219676607 1074033782 /nfs/dbraw/zinc/03/37/82/1074033782.db2.gz QQALLMPFUZBUFZ-AWEZNQCLSA-N 3 1 389.522 -2.210 20 0 GAADMP C[N@@H+]1C[C@@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)OC2(CC[NH2+]CC2)C1 ZINC001219676607 1074033774 /nfs/dbraw/zinc/03/37/74/1074033774.db2.gz QQALLMPFUZBUFZ-AWEZNQCLSA-N 3 1 389.522 -2.210 20 0 GAADMP C[N@H+]1C[C@@H](C(=O)NCCS(=O)(=O)N2CCNCC2)OC2(CC[NH2+]CC2)C1 ZINC001219676607 1074033767 /nfs/dbraw/zinc/03/37/67/1074033767.db2.gz QQALLMPFUZBUFZ-AWEZNQCLSA-N 2 1 389.522 -2.210 20 0 GAADMP C[N@H+]1C[C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)OC2(CC[NH2+]CC2)C1 ZINC001219676608 1074033972 /nfs/dbraw/zinc/03/39/72/1074033972.db2.gz QQALLMPFUZBUFZ-CQSZACIVSA-N 3 1 389.522 -2.210 20 0 GAADMP C[N@@H+]1C[C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)OC2(CC[NH2+]CC2)C1 ZINC001219676608 1074033962 /nfs/dbraw/zinc/03/39/62/1074033962.db2.gz QQALLMPFUZBUFZ-CQSZACIVSA-N 3 1 389.522 -2.210 20 0 GAADMP C[N@H+]1C[C@H](C(=O)NCCS(=O)(=O)N2CCNCC2)OC2(CC[NH2+]CC2)C1 ZINC001219676608 1074033952 /nfs/dbraw/zinc/03/39/52/1074033952.db2.gz QQALLMPFUZBUFZ-CQSZACIVSA-N 2 1 389.522 -2.210 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219676731 1074034057 /nfs/dbraw/zinc/03/40/57/1074034057.db2.gz VAELSMHIHODZEK-CYBMUJFWSA-N 2 1 397.505 -2.120 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219676732 1074034080 /nfs/dbraw/zinc/03/40/80/1074034080.db2.gz VAELSMHIHODZEK-ZDUSSCGKSA-N 2 1 397.505 -2.120 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219676921 1074034617 /nfs/dbraw/zinc/03/46/17/1074034617.db2.gz YZRNWWUVGWTTEY-HNNXBMFYSA-N 3 1 387.550 -1.198 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219676921 1074034613 /nfs/dbraw/zinc/03/46/13/1074034613.db2.gz YZRNWWUVGWTTEY-HNNXBMFYSA-N 3 1 387.550 -1.198 20 0 GAADMP O=C(NCCS(=O)(=O)N1CCNCC1)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219676921 1074034609 /nfs/dbraw/zinc/03/46/09/1074034609.db2.gz YZRNWWUVGWTTEY-HNNXBMFYSA-N 2 1 387.550 -1.198 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219676922 1074034315 /nfs/dbraw/zinc/03/43/15/1074034315.db2.gz YZRNWWUVGWTTEY-OAHLLOKOSA-N 3 1 387.550 -1.198 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC001219676922 1074034305 /nfs/dbraw/zinc/03/43/05/1074034305.db2.gz YZRNWWUVGWTTEY-OAHLLOKOSA-N 3 1 387.550 -1.198 20 0 GAADMP O=C(NCCS(=O)(=O)N1CCNCC1)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC001219676922 1074034296 /nfs/dbraw/zinc/03/42/96/1074034296.db2.gz YZRNWWUVGWTTEY-OAHLLOKOSA-N 2 1 387.550 -1.198 20 0 GAADMP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678068 1074034662 /nfs/dbraw/zinc/03/46/62/1074034662.db2.gz BFMZYBPUAJIXQS-LBPRGKRZSA-N 2 1 378.495 -1.343 20 0 GAADMP NC(=O)c1ccc(C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC001219678157 1074034591 /nfs/dbraw/zinc/03/45/91/1074034591.db2.gz FXJWWYXALBRVGR-AWEZNQCLSA-N 2 1 383.474 -1.994 20 0 GAADMP [NH3+][C@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C1CCC2(CC1)OCCO2 ZINC001219678161 1074034636 /nfs/dbraw/zinc/03/46/36/1074034636.db2.gz FZOBXNCYFLPTPG-AWEZNQCLSA-N 2 1 390.506 -1.402 20 0 GAADMP [NH3+][C@@H](C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C1CCC2(CC1)OCCO2 ZINC001219678162 1074034527 /nfs/dbraw/zinc/03/45/27/1074034527.db2.gz FZOBXNCYFLPTPG-CQSZACIVSA-N 2 1 390.506 -1.402 20 0 GAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678194 1074034477 /nfs/dbraw/zinc/03/44/77/1074034477.db2.gz GVDZMMAJGCWYRU-UWVGGRQHSA-N 2 1 378.455 -3.955 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001219678205 1074034277 /nfs/dbraw/zinc/03/42/77/1074034277.db2.gz HEZUIXZBYDQCBJ-KBPBESRZSA-N 2 1 387.506 -1.919 20 0 GAADMP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678213 1074034429 /nfs/dbraw/zinc/03/44/29/1074034429.db2.gz HNDZBLNAOJYHEI-HNNXBMFYSA-N 2 1 397.501 -1.976 20 0 GAADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678365 1074034560 /nfs/dbraw/zinc/03/45/60/1074034560.db2.gz MBIZDWSTAFQPKQ-HOTGVXAUSA-N 2 1 384.502 -1.341 20 0 GAADMP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678384 1074034459 /nfs/dbraw/zinc/03/44/59/1074034459.db2.gz MTYYHVMBMKULAL-GFCCVEGCSA-N 2 1 378.495 -1.213 20 0 GAADMP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678444 1074034334 /nfs/dbraw/zinc/03/43/34/1074034334.db2.gz OMNFOKKIZQKPOP-AWEZNQCLSA-N 2 1 380.474 -1.216 20 0 GAADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1)C(N)=O ZINC001219678481 1074034542 /nfs/dbraw/zinc/03/45/42/1074034542.db2.gz PVRBWGNXUXSJAW-WDEREUQCSA-N 2 1 392.482 -3.565 20 0 GAADMP [NH3+]C1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CCC2(CC1)OCCO2 ZINC001219678522 1074034505 /nfs/dbraw/zinc/03/45/05/1074034505.db2.gz RHFFMTXZIZEBFX-UHFFFAOYSA-N 2 1 376.479 -1.648 20 0 GAADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678537 1074034679 /nfs/dbraw/zinc/03/46/79/1074034679.db2.gz RXBMGYBIJAANCH-STQMWFEESA-N 2 1 377.511 -1.784 20 0 GAADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)COC1(C)C ZINC001219678595 1074034574 /nfs/dbraw/zinc/03/45/74/1074034574.db2.gz VLQPUZGFSSCGEM-RYUDHWBXSA-N 2 1 391.494 -2.352 20 0 GAADMP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678681 1074034625 /nfs/dbraw/zinc/03/46/25/1074034625.db2.gz ZQLXLEFFTZIDAN-HNNXBMFYSA-N 2 1 397.501 -1.976 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1csc(N2CC[NH2+]CC2)n1 ZINC001219680512 1074035194 /nfs/dbraw/zinc/03/51/94/1074035194.db2.gz KLTVCBIZDXJNTI-UHFFFAOYSA-N 2 1 388.519 -1.483 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001219680542 1074034999 /nfs/dbraw/zinc/03/49/99/1074034999.db2.gz MLGDUPZNVIFVER-CYBMUJFWSA-N 2 1 383.474 -1.213 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001219680543 1074035142 /nfs/dbraw/zinc/03/51/42/1074035142.db2.gz MLGDUPZNVIFVER-ZDUSSCGKSA-N 2 1 383.474 -1.213 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cccnc1N1CC[NH2+]CC1 ZINC001219680557 1074034937 /nfs/dbraw/zinc/03/49/37/1074034937.db2.gz NDTBZMYXUKVDSD-UHFFFAOYSA-N 2 1 382.490 -1.544 20 0 GAADMP O=C(NCCS(=O)(=O)N1CC[NH2+]CC1)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219680786 1074034969 /nfs/dbraw/zinc/03/49/69/1074034969.db2.gz ZBOVGDGPHFXFKD-UHFFFAOYSA-N 2 1 383.478 -2.149 20 0 GAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1nnc2n1CCCNC2 ZINC001219749359 1074035640 /nfs/dbraw/zinc/03/56/40/1074035640.db2.gz LSEATYTZURMDKM-KBPBESRZSA-N 2 1 392.508 -1.165 20 0 GAADMP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219765036 1074035703 /nfs/dbraw/zinc/03/57/03/1074035703.db2.gz SJBGSISGJLRZLA-ILXRZTDVSA-N 2 1 375.477 -1.276 20 0 GAADMP [NH3+][C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219765036 1074035694 /nfs/dbraw/zinc/03/56/94/1074035694.db2.gz SJBGSISGJLRZLA-ILXRZTDVSA-N 2 1 375.477 -1.276 20 0 GAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766325 1074035554 /nfs/dbraw/zinc/03/55/54/1074035554.db2.gz PRUMMUIDASHKFX-QZWWFDLISA-N 3 1 380.537 -1.156 20 0 GAADMP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766325 1074035546 /nfs/dbraw/zinc/03/55/46/1074035546.db2.gz PRUMMUIDASHKFX-QZWWFDLISA-N 3 1 380.537 -1.156 20 0 GAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766705 1074035782 /nfs/dbraw/zinc/03/57/82/1074035782.db2.gz ZYYKZRXRALVCHG-XGUBFFRZSA-N 2 1 380.493 -2.149 20 0 GAADMP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766705 1074035771 /nfs/dbraw/zinc/03/57/71/1074035771.db2.gz ZYYKZRXRALVCHG-XGUBFFRZSA-N 2 1 380.493 -2.149 20 0 GAADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NC1CCN(C2CC[NH2+]CC2)CC1)C(N)=O ZINC001219796377 1074035810 /nfs/dbraw/zinc/03/58/10/1074035810.db2.gz XSMKWJWXXRUNDD-SWLSCSKDSA-N 2 1 382.509 -1.584 20 0 GAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219803261 1074035570 /nfs/dbraw/zinc/03/55/70/1074035570.db2.gz OVTGSAWVZGABQN-CYBMUJFWSA-N 2 1 399.459 -1.710 20 0 GAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1Cn2nnnc2C12CC[NH2+]CC2 ZINC001219803262 1074035677 /nfs/dbraw/zinc/03/56/77/1074035677.db2.gz OVTGSAWVZGABQN-ZDUSSCGKSA-N 2 1 399.459 -1.710 20 0 GAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219803738 1074036064 /nfs/dbraw/zinc/03/60/64/1074036064.db2.gz YFXCKWJTANLMLD-AWEZNQCLSA-N 2 1 398.471 -1.105 20 0 GAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1Cn2cnnc2C12CC[NH2+]CC2 ZINC001219803745 1074036324 /nfs/dbraw/zinc/03/63/24/1074036324.db2.gz YFXCKWJTANLMLD-CQSZACIVSA-N 2 1 398.471 -1.105 20 0 GAADMP C[N@H+]1C[C@@H](C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)OC2(CC[NH2+]CC2)C1 ZINC001219805795 1074036181 /nfs/dbraw/zinc/03/61/81/1074036181.db2.gz DBJPZNYQXUOCAB-HNNXBMFYSA-N 3 1 390.488 -1.194 20 0 GAADMP C[N@@H+]1C[C@@H](C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)OC2(CC[NH2+]CC2)C1 ZINC001219805795 1074036171 /nfs/dbraw/zinc/03/61/71/1074036171.db2.gz DBJPZNYQXUOCAB-HNNXBMFYSA-N 3 1 390.488 -1.194 20 0 GAADMP C[N@H+]1C[C@@H](C(=O)NCc2cc(=O)n3c(n2)CNCCC3)OC2(CC[NH2+]CC2)C1 ZINC001219805795 1074036163 /nfs/dbraw/zinc/03/61/63/1074036163.db2.gz DBJPZNYQXUOCAB-HNNXBMFYSA-N 2 1 390.488 -1.194 20 0 GAADMP C[N@H+]1C[C@H](C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)OC2(CC[NH2+]CC2)C1 ZINC001219805796 1074036412 /nfs/dbraw/zinc/03/64/12/1074036412.db2.gz DBJPZNYQXUOCAB-OAHLLOKOSA-N 3 1 390.488 -1.194 20 0 GAADMP C[N@@H+]1C[C@H](C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)OC2(CC[NH2+]CC2)C1 ZINC001219805796 1074036402 /nfs/dbraw/zinc/03/64/02/1074036402.db2.gz DBJPZNYQXUOCAB-OAHLLOKOSA-N 3 1 390.488 -1.194 20 0 GAADMP C[N@H+]1C[C@H](C(=O)NCc2cc(=O)n3c(n2)CNCCC3)OC2(CC[NH2+]CC2)C1 ZINC001219805796 1074036393 /nfs/dbraw/zinc/03/63/93/1074036393.db2.gz DBJPZNYQXUOCAB-OAHLLOKOSA-N 2 1 390.488 -1.194 20 0 GAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219806293 1074036292 /nfs/dbraw/zinc/03/62/92/1074036292.db2.gz QLCNRYSWTLQFHU-GFCCVEGCSA-N 2 1 381.458 -1.871 20 0 GAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1CCS(=O)(=O)C12C[NH2+]C2 ZINC001219806294 1074036094 /nfs/dbraw/zinc/03/60/94/1074036094.db2.gz QLCNRYSWTLQFHU-LBPRGKRZSA-N 2 1 381.458 -1.871 20 0 GAADMP O=C(NCc1cc(=O)n2c(n1)C[NH2+]CCC2)c1cnc(N2CC[NH2+]CC2)cn1 ZINC001219807317 1074036143 /nfs/dbraw/zinc/03/61/43/1074036143.db2.gz BXDWNDIGTCTOGA-UHFFFAOYSA-N 2 1 384.444 -1.134 20 0 GAADMP C[C@H]([NH3+])C(=O)N1[C@H](C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)COC1(C)C ZINC001219807727 1074036206 /nfs/dbraw/zinc/03/62/06/1074036206.db2.gz LYPPCHFIBXCXPE-AAEUAGOBSA-N 2 1 392.460 -1.337 20 0 GAADMP C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2)C(N)=O ZINC001219808151 1074036271 /nfs/dbraw/zinc/03/62/71/1074036271.db2.gz VLJWDQRXIZNMSF-CMPLNLGQSA-N 2 1 393.448 -2.550 20 0 GAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219808155 1074036035 /nfs/dbraw/zinc/03/60/35/1074036035.db2.gz VRKQFGCTKCWCSI-ONGXEEELSA-N 2 1 379.421 -2.940 20 0 GAADMP CN1C[C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)OC2(CC[NH2+]CC2)C1 ZINC001219833603 1074036866 /nfs/dbraw/zinc/03/68/66/1074036866.db2.gz FLTFYTIQHHXJQP-FCEWJHQRSA-N 2 1 382.505 -1.050 20 0 GAADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)OC2(CC[NH2+]CC2)C1 ZINC001219833603 1074036860 /nfs/dbraw/zinc/03/68/60/1074036860.db2.gz FLTFYTIQHHXJQP-FCEWJHQRSA-N 3 1 382.505 -1.050 20 0 GAADMP CN1C[C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)OC2(CC[NH2+]CC2)C1 ZINC001219833604 1074036717 /nfs/dbraw/zinc/03/67/17/1074036717.db2.gz FLTFYTIQHHXJQP-FRQCXROJSA-N 2 1 382.505 -1.050 20 0 GAADMP C[N@H+]1C[C@H](C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)OC2(CC[NH2+]CC2)C1 ZINC001219833604 1074036711 /nfs/dbraw/zinc/03/67/11/1074036711.db2.gz FLTFYTIQHHXJQP-FRQCXROJSA-N 3 1 382.505 -1.050 20 0 GAADMP CN1C[C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)OC2(CC[NH2+]CC2)C1 ZINC001219833606 1074036923 /nfs/dbraw/zinc/03/69/23/1074036923.db2.gz FLTFYTIQHHXJQP-GPMSIDNRSA-N 2 1 382.505 -1.050 20 0 GAADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)OC2(CC[NH2+]CC2)C1 ZINC001219833606 1074036915 /nfs/dbraw/zinc/03/69/15/1074036915.db2.gz FLTFYTIQHHXJQP-GPMSIDNRSA-N 3 1 382.505 -1.050 20 0 GAADMP CN1C[C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)OC2(CC[NH2+]CC2)C1 ZINC001219833608 1074036845 /nfs/dbraw/zinc/03/68/45/1074036845.db2.gz FLTFYTIQHHXJQP-MDZRGWNJSA-N 2 1 382.505 -1.050 20 0 GAADMP C[N@H+]1C[C@H](C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)OC2(CC[NH2+]CC2)C1 ZINC001219833608 1074036838 /nfs/dbraw/zinc/03/68/38/1074036838.db2.gz FLTFYTIQHHXJQP-MDZRGWNJSA-N 3 1 382.505 -1.050 20 0 GAADMP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001219941093 1074038646 /nfs/dbraw/zinc/03/86/46/1074038646.db2.gz NKGBKDVXOHAWLJ-KBPBESRZSA-N 2 1 383.493 -1.155 20 0 GAADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220062045 1074042094 /nfs/dbraw/zinc/04/20/94/1074042094.db2.gz KUHSFQUGBYXOPX-CYBMUJFWSA-N 2 1 384.481 -2.326 20 0 GAADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220062046 1074042406 /nfs/dbraw/zinc/04/24/06/1074042406.db2.gz KUHSFQUGBYXOPX-ZDUSSCGKSA-N 2 1 384.481 -2.326 20 0 GAADMP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220106487 1074042652 /nfs/dbraw/zinc/04/26/52/1074042652.db2.gz PBBTWNMPEOBVRR-INIZCTEOSA-N 2 1 391.472 -1.287 20 0 GAADMP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220106488 1074042596 /nfs/dbraw/zinc/04/25/96/1074042596.db2.gz PBBTWNMPEOBVRR-MRXNPFEDSA-N 2 1 391.472 -1.287 20 0 GAADMP COC(=O)[C@]1(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228563 1074043942 /nfs/dbraw/zinc/04/39/42/1074043942.db2.gz QAWQNHDRNQWPGC-RFUYNDQBSA-N 2 1 392.456 -1.255 20 0 GAADMP COC(=O)[C@@]1(NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)CC[N@@H+](Cc2ccccc2)C1 ZINC001220228564 1074043846 /nfs/dbraw/zinc/04/38/46/1074043846.db2.gz QAWQNHDRNQWPGC-ZUEVXXBESA-N 2 1 392.456 -1.255 20 0 GAADMP CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC[NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284242 1074044901 /nfs/dbraw/zinc/04/49/01/1074044901.db2.gz KUGOBQGGZSZZIM-MJBXVCDLSA-N 2 1 387.458 -1.153 20 0 GAADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C2 ZINC001220716802 1074052711 /nfs/dbraw/zinc/05/27/11/1074052711.db2.gz RNYLFYLASOJJGU-XYYAHUGASA-N 2 1 382.465 -2.575 20 0 GAADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2COC[NH2+]2)c2nonc21 ZINC001220745831 1074053058 /nfs/dbraw/zinc/05/30/58/1074053058.db2.gz COFFUOGNKPOCAP-VIFPVBQESA-N 2 1 384.418 -1.289 20 0 GAADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)C[NH2+]CCC[NH3+])c2nonc21 ZINC001220747903 1074053013 /nfs/dbraw/zinc/05/30/13/1074053013.db2.gz BSYXIBUCUXNYCS-UHFFFAOYSA-N 3 1 399.477 -1.297 20 0 GAADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[C@H](N)C[NH2+]2)c2nonc21 ZINC001220748823 1074053598 /nfs/dbraw/zinc/05/35/98/1074053598.db2.gz MYNRCPMGMPAORO-UWVGGRQHSA-N 2 1 397.461 -1.546 20 0 GAADMP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c2nonc21 ZINC001220748824 1074053623 /nfs/dbraw/zinc/05/36/23/1074053623.db2.gz MYNRCPMGMPAORO-ZJUUUORDSA-N 2 1 397.461 -1.546 20 0 GAADMP [NH3+][C@@H](CCCCNC(=O)c1ccccn1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220872075 1074054555 /nfs/dbraw/zinc/05/45/55/1074054555.db2.gz JGQJJGWGPDOARX-AWEZNQCLSA-N 2 1 376.461 -1.143 20 0 GAADMP [NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874692 1074054615 /nfs/dbraw/zinc/05/46/15/1074054615.db2.gz LZGPWENQGXRYAV-INIZCTEOSA-N 2 1 386.456 -1.298 20 0 GAADMP [NH3+][C@H](CSCNC(=O)Cc1ccccc1)C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874715 1074054427 /nfs/dbraw/zinc/05/44/27/1074054427.db2.gz MYYFJCBRMYKFOR-OAHLLOKOSA-N 2 1 393.513 -1.089 20 0 GAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220918750 1074055061 /nfs/dbraw/zinc/05/50/61/1074055061.db2.gz FJPUXEXCTKUNRQ-CYBMUJFWSA-N 2 1 396.492 -2.183 20 0 GAADMP Cc1cn([C@H]2C[C@H](NC(=O)C[NH2+]C3CC[NH2+]CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966969 1074056116 /nfs/dbraw/zinc/05/61/16/1074056116.db2.gz MXOFSZSTBHEFKA-GZBFAFLISA-N 2 1 381.433 -1.636 20 0 GAADMP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1[nH+]cn2ccccc12 ZINC001221007897 1074057010 /nfs/dbraw/zinc/05/70/10/1074057010.db2.gz GVLJUXUUEVSURQ-UHFFFAOYSA-N 2 1 375.389 -2.742 20 0 GAADMP COCCC1(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCS(=O)(=O)CC1 ZINC001221028616 1074056982 /nfs/dbraw/zinc/05/69/82/1074056982.db2.gz WTXBVCUVFLFPDQ-AWEZNQCLSA-N 2 1 376.523 -1.163 20 0 GAADMP COCCC1(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCS(=O)(=O)CC1 ZINC001221028617 1074057157 /nfs/dbraw/zinc/05/71/57/1074057157.db2.gz WTXBVCUVFLFPDQ-CQSZACIVSA-N 2 1 376.523 -1.163 20 0 GAADMP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001221148565 1074058214 /nfs/dbraw/zinc/05/82/14/1074058214.db2.gz GUVWSIMQALRGLE-AWEZNQCLSA-N 2 1 387.531 -1.048 20 0 GAADMP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001221348121 1074059901 /nfs/dbraw/zinc/05/99/01/1074059901.db2.gz GJHVLHOWBRHJKX-AVGNSLFASA-N 2 1 397.505 -2.068 20 0 GAADMP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001221348506 1074060108 /nfs/dbraw/zinc/06/01/08/1074060108.db2.gz KMVBIPSFANPVQJ-KKUMJFAQSA-N 2 1 391.476 -1.760 20 0 GAADMP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001221348510 1074060136 /nfs/dbraw/zinc/06/01/36/1074060136.db2.gz KMVBIPSFANPVQJ-SOUVJXGZSA-N 2 1 391.476 -1.760 20 0 GAADMP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001221348861 1074060547 /nfs/dbraw/zinc/06/05/47/1074060547.db2.gz OTKKCTDDLWQRDI-IHRRRGAJSA-N 2 1 379.465 -1.630 20 0 GAADMP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001221348906 1074060447 /nfs/dbraw/zinc/06/04/47/1074060447.db2.gz PYPQEBOFGWWUPE-QEJZJMRPSA-N 2 1 393.492 -1.240 20 0 GAADMP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221349339 1074060405 /nfs/dbraw/zinc/06/04/05/1074060405.db2.gz WAMQPNKQRZQWDC-IHRRRGAJSA-N 2 1 389.460 -2.278 20 0 GAADMP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221349340 1074060519 /nfs/dbraw/zinc/06/05/19/1074060519.db2.gz WAMQPNKQRZQWDC-RDBSUJKOSA-N 2 1 389.460 -2.278 20 0 GAADMP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349417 1074060593 /nfs/dbraw/zinc/06/05/93/1074060593.db2.gz XAOFQHNJPHYFOP-KKUMJFAQSA-N 2 1 393.492 -1.370 20 0 GAADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)CN ZINC001221392673 1074061640 /nfs/dbraw/zinc/06/16/40/1074061640.db2.gz YZBXAHLGMVOVIR-STQMWFEESA-N 2 1 383.497 -1.495 20 0 GAADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H](C)C1 ZINC001221406574 1074061522 /nfs/dbraw/zinc/06/15/22/1074061522.db2.gz GXVTWROWLZXZKT-CHWSQXEVSA-N 2 1 384.481 -2.471 20 0 GAADMP CC(C)[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@H](C)C1 ZINC001221406575 1074061497 /nfs/dbraw/zinc/06/14/97/1074061497.db2.gz GXVTWROWLZXZKT-OLZOCXBDSA-N 2 1 384.481 -2.471 20 0 GAADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H](C)C1 ZINC001221406576 1074061656 /nfs/dbraw/zinc/06/16/56/1074061656.db2.gz GXVTWROWLZXZKT-QWHCGFSZSA-N 2 1 384.481 -2.471 20 0 GAADMP CC(C)[N@H+]1CC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])[C@@H](C)C1 ZINC001221406577 1074061617 /nfs/dbraw/zinc/06/16/17/1074061617.db2.gz GXVTWROWLZXZKT-STQMWFEESA-N 2 1 384.481 -2.471 20 0 GAADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](Cc3cn(C)c(=O)n(C)c3=O)CC[C@@H]2C1 ZINC001231768018 1074077209 /nfs/dbraw/zinc/07/72/09/1074077209.db2.gz OIDAOVPEBVAEAL-GDBMZVCRSA-N 2 1 393.488 -1.305 20 0 GAADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](Cc3cn(C)c(=O)n(C)c3=O)CC[C@@H]2C1 ZINC001231768018 1074077204 /nfs/dbraw/zinc/07/72/04/1074077204.db2.gz OIDAOVPEBVAEAL-GDBMZVCRSA-N 2 1 393.488 -1.305 20 0 GAADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC[C@@H]2C1 ZINC001231768018 1074077198 /nfs/dbraw/zinc/07/71/98/1074077198.db2.gz OIDAOVPEBVAEAL-GDBMZVCRSA-N 2 1 393.488 -1.305 20 0 GAADMP [NH3+]CCOCCOCCOCCOCCOCCNC[C@@]1(O)CCC[NH2+]C1 ZINC001245993149 1074094222 /nfs/dbraw/zinc/09/42/22/1074094222.db2.gz LATBKAYBGJHFEW-GOSISDBHSA-N 2 1 393.525 -1.268 20 0 GAADMP [NH3+]CCOCCOCCOCCOCCOCCNC[C@]1(O)CCC[NH2+]C1 ZINC001245993152 1074094423 /nfs/dbraw/zinc/09/44/23/1074094423.db2.gz LATBKAYBGJHFEW-SFHVURJKSA-N 2 1 393.525 -1.268 20 0 GAADMP [NH3+]CCOCCOCCOCCOCCOCCNC[C@]1(O)CC[NH2+]C1 ZINC001245997762 1074094448 /nfs/dbraw/zinc/09/44/48/1074094448.db2.gz ZDDQWWCKKQKINK-KRWDZBQOSA-N 2 1 379.498 -1.658 20 0 GAADMP [NH3+]CCOCCOCCOCCOCCOCCNC[C@@]1(O)CC[NH2+]C1 ZINC001245997778 1074094324 /nfs/dbraw/zinc/09/43/24/1074094324.db2.gz ZDDQWWCKKQKINK-QGZVFWFLSA-N 2 1 379.498 -1.658 20 0 GAADMP O=C([C@@H]1C[C@@H](NCCS(=O)(=O)N2CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246098716 1074095694 /nfs/dbraw/zinc/09/56/94/1074095694.db2.gz DFSIDQLERKHAAT-OLZOCXBDSA-N 2 1 377.536 -1.926 20 0 GAADMP O=C([C@@H]1C[C@H](NCCS(=O)(=O)N2CC[NH2+]CC2)C[NH2+]1)N1CCSC1 ZINC001246098728 1074095659 /nfs/dbraw/zinc/09/56/59/1074095659.db2.gz DFSIDQLERKHAAT-STQMWFEESA-N 2 1 377.536 -1.926 20 0 GAADMP [NH3+]CCOCCOCCOCC[NH2+][C@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246287070 1074096240 /nfs/dbraw/zinc/09/62/40/1074096240.db2.gz INTOGHFINRYHIK-CABCVRRESA-N 2 1 376.523 -1.152 20 0 GAADMP [NH3+]CCOCCOCCOCC[NH2+][C@@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246287073 1074096051 /nfs/dbraw/zinc/09/60/51/1074096051.db2.gz INTOGHFINRYHIK-GJZGRUSLSA-N 2 1 376.523 -1.152 20 0 GAADMP CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+]C2CC[NH2+]CC2)[C@H]1O ZINC001246293010 1074096184 /nfs/dbraw/zinc/09/61/84/1074096184.db2.gz ZQYUWBAFUQVBEB-CTWCOEIASA-N 2 1 377.449 -1.147 20 0 GAADMP COC(=O)[C@@H]1C[C@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C[NH2+]1 ZINC001246376218 1074096033 /nfs/dbraw/zinc/09/60/33/1074096033.db2.gz UOXBRTUJLIEVOZ-LADJIXMOSA-N 2 1 393.404 -2.142 20 0 GAADMP COC(=O)[C@@H]1C[C@@H](n2c3c(ncn3[C@H]3C[C@H]([NH3+])[C@@H](CO)O3)c(=O)nc2N)C[NH2+]1 ZINC001246376219 1074096217 /nfs/dbraw/zinc/09/62/17/1074096217.db2.gz UOXBRTUJLIEVOZ-ZKKRXERASA-N 2 1 393.404 -2.142 20 0 GAADMP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1O ZINC001246495615 1074096992 /nfs/dbraw/zinc/09/69/92/1074096992.db2.gz ZOMPXWOQVOMETB-VEBKFKNKSA-N 2 1 375.433 -1.100 20 0 GAADMP COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246708824 1074097910 /nfs/dbraw/zinc/09/79/10/1074097910.db2.gz SZRITCWRJULVFQ-HNNXBMFYSA-N 2 1 390.488 -1.194 20 0 GAADMP COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CCC2 ZINC001246708825 1074097750 /nfs/dbraw/zinc/09/77/50/1074097750.db2.gz SZRITCWRJULVFQ-OAHLLOKOSA-N 2 1 390.488 -1.194 20 0 GAADMP Cn1cc(N2C[C@@]3(COCC[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)OCC2=O)cn1 ZINC001246751966 1074098007 /nfs/dbraw/zinc/09/80/07/1074098007.db2.gz XRNSGNNESYWURW-BEFAXECRSA-N 2 1 390.488 -1.052 20 0 GAADMP Cn1cc(N2C[C@@]3(COCC[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)OCC2=O)cn1 ZINC001246751966 1074098001 /nfs/dbraw/zinc/09/80/01/1074098001.db2.gz XRNSGNNESYWURW-BEFAXECRSA-N 2 1 390.488 -1.052 20 0 GAADMP Cn1cc(N2C[C@]3(COCC[N@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)OCC2=O)cn1 ZINC001246751970 1074097881 /nfs/dbraw/zinc/09/78/81/1074097881.db2.gz XRNSGNNESYWURW-DNVCBOLYSA-N 2 1 390.488 -1.052 20 0 GAADMP Cn1cc(N2C[C@]3(COCC[N@@H+]([C@@H]4CCNC5(C[NH2+]C5)C4)C3)OCC2=O)cn1 ZINC001246751970 1074097872 /nfs/dbraw/zinc/09/78/72/1074097872.db2.gz XRNSGNNESYWURW-DNVCBOLYSA-N 2 1 390.488 -1.052 20 0 GAADMP Cn1cc(N2C[C@]3(COCC[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)OCC2=O)cn1 ZINC001246751972 1074097939 /nfs/dbraw/zinc/09/79/39/1074097939.db2.gz XRNSGNNESYWURW-HNAYVOBHSA-N 2 1 390.488 -1.052 20 0 GAADMP Cn1cc(N2C[C@]3(COCC[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)OCC2=O)cn1 ZINC001246751972 1074097934 /nfs/dbraw/zinc/09/79/34/1074097934.db2.gz XRNSGNNESYWURW-HNAYVOBHSA-N 2 1 390.488 -1.052 20 0 GAADMP Cn1cc(N2C[C@@]3(COCC[N@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)OCC2=O)cn1 ZINC001246751974 1074097818 /nfs/dbraw/zinc/09/78/18/1074097818.db2.gz XRNSGNNESYWURW-KXBFYZLASA-N 2 1 390.488 -1.052 20 0 GAADMP Cn1cc(N2C[C@@]3(COCC[N@@H+]([C@H]4CCNC5(C[NH2+]C5)C4)C3)OCC2=O)cn1 ZINC001246751974 1074097813 /nfs/dbraw/zinc/09/78/13/1074097813.db2.gz XRNSGNNESYWURW-KXBFYZLASA-N 2 1 390.488 -1.052 20 0 GAADMP CN(C)C(=O)CN1C[C@H]2CC[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2S1(=O)=O ZINC001246757659 1074098520 /nfs/dbraw/zinc/09/85/20/1074098520.db2.gz CZYKBRWANJSVEV-BZUAXINKSA-N 2 1 399.561 -1.105 20 0 GAADMP CN(C)C(=O)CN1C[C@H]2CC[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2S1(=O)=O ZINC001246757663 1074098502 /nfs/dbraw/zinc/09/85/02/1074098502.db2.gz CZYKBRWANJSVEV-OWCLPIDISA-N 2 1 399.561 -1.105 20 0 GAADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251015395 1074105490 /nfs/dbraw/zinc/10/54/90/1074105490.db2.gz RZHKJPRPVHVRLG-FGTMMUONSA-N 2 1 384.521 -1.210 20 0 GAADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251015395 1074105486 /nfs/dbraw/zinc/10/54/86/1074105486.db2.gz RZHKJPRPVHVRLG-FGTMMUONSA-N 2 1 384.521 -1.210 20 0 GAADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251015395 1074105484 /nfs/dbraw/zinc/10/54/84/1074105484.db2.gz RZHKJPRPVHVRLG-FGTMMUONSA-N 2 1 384.521 -1.210 20 0 GAADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251015402 1074105199 /nfs/dbraw/zinc/10/51/99/1074105199.db2.gz RZHKJPRPVHVRLG-KZNAEPCWSA-N 2 1 384.521 -1.210 20 0 GAADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C[C@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251015402 1074105194 /nfs/dbraw/zinc/10/51/94/1074105194.db2.gz RZHKJPRPVHVRLG-KZNAEPCWSA-N 2 1 384.521 -1.210 20 0 GAADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C[C@H](O)CN3CCOCC3)CC[C@@H]2C1 ZINC001251015402 1074105189 /nfs/dbraw/zinc/10/51/89/1074105189.db2.gz RZHKJPRPVHVRLG-KZNAEPCWSA-N 2 1 384.521 -1.210 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001251890279 1074112820 /nfs/dbraw/zinc/11/28/20/1074112820.db2.gz TXQHCUUWMYEVLZ-KRWDZBQOSA-N 2 1 396.536 -1.098 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001251890279 1074112815 /nfs/dbraw/zinc/11/28/15/1074112815.db2.gz TXQHCUUWMYEVLZ-KRWDZBQOSA-N 2 1 396.536 -1.098 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001251890280 1074112666 /nfs/dbraw/zinc/11/26/66/1074112666.db2.gz TXQHCUUWMYEVLZ-QGZVFWFLSA-N 2 1 396.536 -1.098 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC1 ZINC001251890280 1074112661 /nfs/dbraw/zinc/11/26/61/1074112661.db2.gz TXQHCUUWMYEVLZ-QGZVFWFLSA-N 2 1 396.536 -1.098 20 0 GAADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001253029016 1074120720 /nfs/dbraw/zinc/12/07/20/1074120720.db2.gz XRKIIUAGGMBOAQ-RLFYNMQTSA-N 2 1 383.493 -1.149 20 0 GAADMP NC(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001253029016 1074120716 /nfs/dbraw/zinc/12/07/16/1074120716.db2.gz XRKIIUAGGMBOAQ-RLFYNMQTSA-N 2 1 383.493 -1.149 20 0 GAADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@]1(CO)COC[C@@H]2CCC[NH+]21 ZINC001253029016 1074120713 /nfs/dbraw/zinc/12/07/13/1074120713.db2.gz XRKIIUAGGMBOAQ-RLFYNMQTSA-N 2 1 383.493 -1.149 20 0 GAADMP C[N@H+]1CCC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001254504292 1074143213 /nfs/dbraw/zinc/14/32/13/1074143213.db2.gz SWGUAKDCEDSNFP-QTKMUVPMSA-N 2 1 393.448 -1.590 20 0 GAADMP C[N@H+]1CCC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)CC1 ZINC001254504297 1074143155 /nfs/dbraw/zinc/14/31/55/1074143155.db2.gz SWGUAKDCEDSNFP-YXUMDAIYSA-N 2 1 393.448 -1.590 20 0 GAADMP C[N@H+]1CCC[C@@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001255470403 1074150928 /nfs/dbraw/zinc/15/09/28/1074150928.db2.gz NJBBOYYNVXPZGU-QCYOOCKDSA-N 2 1 379.421 -1.980 20 0 GAADMP C[N@H+]1CCC[C@H](n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001255470415 1074150899 /nfs/dbraw/zinc/15/08/99/1074150899.db2.gz NJBBOYYNVXPZGU-WLBJOZJFSA-N 2 1 379.421 -1.980 20 0 GAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC([N@@H+](C)CCCO)CC3)C[C@H]2[NH3+])cn1 ZINC001261435362 1074220493 /nfs/dbraw/zinc/22/04/93/1074220493.db2.gz RTWHHWNTIZNYLL-DLBZAZTESA-N 2 1 392.504 -1.022 20 0 GAADMP O=C(CCCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001261526737 1074228506 /nfs/dbraw/zinc/22/85/06/1074228506.db2.gz TWPCTWSGRFKCIW-IAGOWNOFSA-N 2 1 380.489 -1.289 20 0 GAADMP O=C(CCCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001261526737 1074228497 /nfs/dbraw/zinc/22/84/97/1074228497.db2.gz TWPCTWSGRFKCIW-IAGOWNOFSA-N 2 1 380.489 -1.289 20 0 GAADMP CN(C(=O)c1cn(CC[NH3+])nn1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001261644021 1074237612 /nfs/dbraw/zinc/23/76/12/1074237612.db2.gz NLYWJXMLGKSVLY-UHFFFAOYSA-N 2 1 392.508 -1.453 20 0 GAADMP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001262542775 1074264713 /nfs/dbraw/zinc/26/47/13/1074264713.db2.gz ILQYDLJEGPEJGV-FRQCXROJSA-N 2 1 379.505 -1.151 20 0 GAADMP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001262542776 1074264784 /nfs/dbraw/zinc/26/47/84/1074264784.db2.gz ILQYDLJEGPEJGV-GPMSIDNRSA-N 2 1 379.505 -1.151 20 0 GAADMP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001262542777 1074264686 /nfs/dbraw/zinc/26/46/86/1074264686.db2.gz ILQYDLJEGPEJGV-JTDSTZFVSA-N 2 1 379.505 -1.151 20 0 GAADMP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001262542778 1074264907 /nfs/dbraw/zinc/26/49/07/1074264907.db2.gz ILQYDLJEGPEJGV-TXPKVOOTSA-N 2 1 379.505 -1.151 20 0 GAADMP CCO[C@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C[NH+](C)C ZINC001262592912 1074264816 /nfs/dbraw/zinc/26/48/16/1074264816.db2.gz DVGYDFSHGDUOGL-CYBMUJFWSA-N 2 1 377.511 -1.418 20 0 GAADMP CCO[C@@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C[NH+](C)C ZINC001262592913 1074264729 /nfs/dbraw/zinc/26/47/29/1074264729.db2.gz DVGYDFSHGDUOGL-ZDUSSCGKSA-N 2 1 377.511 -1.418 20 0 GAADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001313346898 1074382795 /nfs/dbraw/zinc/38/27/95/1074382795.db2.gz WPGBZNRJJYNHRU-UHFFFAOYSA-N 2 1 375.499 -1.016 20 0 GAADMP Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001319435582 1074425500 /nfs/dbraw/zinc/42/55/00/1074425500.db2.gz KWAYSLXVIVSFDY-UHFFFAOYSA-N 2 1 390.448 -1.179 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC001319435584 1074425418 /nfs/dbraw/zinc/42/54/18/1074425418.db2.gz KWDWKCRULKHDTD-CYBMUJFWSA-N 2 1 379.465 -1.290 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cn1 ZINC001319435598 1074425399 /nfs/dbraw/zinc/42/53/99/1074425399.db2.gz KWDWKCRULKHDTD-ZDUSSCGKSA-N 2 1 379.465 -1.290 20 0 GAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)n1 ZINC001319442805 1074425365 /nfs/dbraw/zinc/42/53/65/1074425365.db2.gz MZYFSGTXACCZQB-UHFFFAOYSA-N 2 1 379.465 -1.337 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2CC=CC2)cn1 ZINC001320580471 1074453996 /nfs/dbraw/zinc/45/39/96/1074453996.db2.gz TZPFWRYYGDLTBX-UHFFFAOYSA-N 2 1 377.449 -1.513 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001321994312 1074510414 /nfs/dbraw/zinc/51/04/14/1074510414.db2.gz DZSRUAVBHAYMFX-CABCVRRESA-N 2 1 382.509 -1.948 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001321994312 1074510410 /nfs/dbraw/zinc/51/04/10/1074510410.db2.gz DZSRUAVBHAYMFX-CABCVRRESA-N 2 1 382.509 -1.948 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC001321994312 1074510403 /nfs/dbraw/zinc/51/04/03/1074510403.db2.gz DZSRUAVBHAYMFX-CABCVRRESA-N 2 1 382.509 -1.948 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001321994318 1074510467 /nfs/dbraw/zinc/51/04/67/1074510467.db2.gz DZSRUAVBHAYMFX-GJZGRUSLSA-N 2 1 382.509 -1.948 20 0 GAADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001321994318 1074510461 /nfs/dbraw/zinc/51/04/61/1074510461.db2.gz DZSRUAVBHAYMFX-GJZGRUSLSA-N 2 1 382.509 -1.948 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC001321994318 1074510457 /nfs/dbraw/zinc/51/04/57/1074510457.db2.gz DZSRUAVBHAYMFX-GJZGRUSLSA-N 2 1 382.509 -1.948 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001321994320 1074510604 /nfs/dbraw/zinc/51/06/04/1074510604.db2.gz DZSRUAVBHAYMFX-HUUCEWRRSA-N 2 1 382.509 -1.948 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001321994320 1074510597 /nfs/dbraw/zinc/51/05/97/1074510597.db2.gz DZSRUAVBHAYMFX-HUUCEWRRSA-N 2 1 382.509 -1.948 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC001321994320 1074510590 /nfs/dbraw/zinc/51/05/90/1074510590.db2.gz DZSRUAVBHAYMFX-HUUCEWRRSA-N 2 1 382.509 -1.948 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001321994321 1074510533 /nfs/dbraw/zinc/51/05/33/1074510533.db2.gz DZSRUAVBHAYMFX-LSDHHAIUSA-N 2 1 382.509 -1.948 20 0 GAADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001321994321 1074510528 /nfs/dbraw/zinc/51/05/28/1074510528.db2.gz DZSRUAVBHAYMFX-LSDHHAIUSA-N 2 1 382.509 -1.948 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC001321994321 1074510526 /nfs/dbraw/zinc/51/05/26/1074510526.db2.gz DZSRUAVBHAYMFX-LSDHHAIUSA-N 2 1 382.509 -1.948 20 0 GAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCN3C(=O)CCC3=O)C2)CC1 ZINC001322724223 1074546681 /nfs/dbraw/zinc/54/66/81/1074546681.db2.gz JMNDHCUWDOXUBF-AWEZNQCLSA-N 2 1 393.488 -1.074 20 0 GAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCN3C(=O)CCC3=O)C2)CC1 ZINC001322724223 1074546673 /nfs/dbraw/zinc/54/66/73/1074546673.db2.gz JMNDHCUWDOXUBF-AWEZNQCLSA-N 2 1 393.488 -1.074 20 0 GAADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001322826010 1074555312 /nfs/dbraw/zinc/55/53/12/1074555312.db2.gz NCZNGISTPIFOEM-DLBZAZTESA-N 2 1 381.521 -1.081 20 0 GAADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001322826013 1074555403 /nfs/dbraw/zinc/55/54/03/1074555403.db2.gz NCZNGISTPIFOEM-IAGOWNOFSA-N 2 1 381.521 -1.081 20 0 GAADMP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001322826014 1074555416 /nfs/dbraw/zinc/55/54/16/1074555416.db2.gz NCZNGISTPIFOEM-IRXDYDNUSA-N 2 1 381.521 -1.081 20 0 GAADMP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001322826016 1074555362 /nfs/dbraw/zinc/55/53/62/1074555362.db2.gz NCZNGISTPIFOEM-SJORKVTESA-N 2 1 381.521 -1.081 20 0 GAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001323295328 1074580047 /nfs/dbraw/zinc/58/00/47/1074580047.db2.gz NFWQXYBDKKMGTK-CVEARBPZSA-N 2 1 395.504 -1.365 20 0 GAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001323295328 1074580037 /nfs/dbraw/zinc/58/00/37/1074580037.db2.gz NFWQXYBDKKMGTK-CVEARBPZSA-N 2 1 395.504 -1.365 20 0 GAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001323295330 1074579870 /nfs/dbraw/zinc/57/98/70/1074579870.db2.gz NFWQXYBDKKMGTK-HOTGVXAUSA-N 2 1 395.504 -1.365 20 0 GAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001323295330 1074579862 /nfs/dbraw/zinc/57/98/62/1074579862.db2.gz NFWQXYBDKKMGTK-HOTGVXAUSA-N 2 1 395.504 -1.365 20 0 GAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001323295332 1074579822 /nfs/dbraw/zinc/57/98/22/1074579822.db2.gz NFWQXYBDKKMGTK-HZPDHXFCSA-N 2 1 395.504 -1.365 20 0 GAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001323295332 1074579817 /nfs/dbraw/zinc/57/98/17/1074579817.db2.gz NFWQXYBDKKMGTK-HZPDHXFCSA-N 2 1 395.504 -1.365 20 0 GAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001323295334 1074579976 /nfs/dbraw/zinc/57/99/76/1074579976.db2.gz NFWQXYBDKKMGTK-JKSUJKDBSA-N 2 1 395.504 -1.365 20 0 GAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001323295334 1074579968 /nfs/dbraw/zinc/57/99/68/1074579968.db2.gz NFWQXYBDKKMGTK-JKSUJKDBSA-N 2 1 395.504 -1.365 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001323404136 1074587145 /nfs/dbraw/zinc/58/71/45/1074587145.db2.gz RVAKEPIYNLUBIV-FGTMMUONSA-N 2 1 394.564 -1.167 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001323404144 1074587168 /nfs/dbraw/zinc/58/71/68/1074587168.db2.gz RVAKEPIYNLUBIV-KURKYZTESA-N 2 1 394.564 -1.167 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001323404152 1074587096 /nfs/dbraw/zinc/58/70/96/1074587096.db2.gz RVAKEPIYNLUBIV-KZNAEPCWSA-N 2 1 394.564 -1.167 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001323404160 1074587071 /nfs/dbraw/zinc/58/70/71/1074587071.db2.gz RVAKEPIYNLUBIV-SQNIBIBYSA-N 2 1 394.564 -1.167 20 0 GAADMP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)S(N)(=O)=O ZINC001324336665 1074643432 /nfs/dbraw/zinc/64/34/32/1074643432.db2.gz TWATVBSBLOYAMQ-GFCCVEGCSA-N 2 1 377.511 -1.736 20 0 GAADMP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)S(N)(=O)=O ZINC001324336668 1074643361 /nfs/dbraw/zinc/64/33/61/1074643361.db2.gz TWATVBSBLOYAMQ-LBPRGKRZSA-N 2 1 377.511 -1.736 20 0 GAADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC001324418592 1074650167 /nfs/dbraw/zinc/65/01/67/1074650167.db2.gz AFIOUBLEICNIOP-INIZCTEOSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC001324418593 1074650045 /nfs/dbraw/zinc/65/00/45/1074650045.db2.gz AFIOUBLEICNIOP-MRXNPFEDSA-N 2 1 397.520 -1.118 20 0 GAADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001325326352 1074688140 /nfs/dbraw/zinc/68/81/40/1074688140.db2.gz DPSONPSLADDZRG-UHFFFAOYSA-N 2 1 397.520 -1.116 20 0 GAADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC001325346280 1074688956 /nfs/dbraw/zinc/68/89/56/1074688956.db2.gz MZWKUXMTCFNJQY-DLBZAZTESA-N 2 1 381.521 -1.035 20 0 GAADMP CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]1 ZINC001325346281 1074688874 /nfs/dbraw/zinc/68/88/74/1074688874.db2.gz MZWKUXMTCFNJQY-IAGOWNOFSA-N 2 1 381.521 -1.035 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001325593300 1074698711 /nfs/dbraw/zinc/69/87/11/1074698711.db2.gz DWFQIJWVFWQUKI-CABCVRRESA-N 2 1 381.477 -1.708 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001325593300 1074698708 /nfs/dbraw/zinc/69/87/08/1074698708.db2.gz DWFQIJWVFWQUKI-CABCVRRESA-N 2 1 381.477 -1.708 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001325593322 1074698556 /nfs/dbraw/zinc/69/85/56/1074698556.db2.gz DWFQIJWVFWQUKI-GJZGRUSLSA-N 2 1 381.477 -1.708 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001325593322 1074698551 /nfs/dbraw/zinc/69/85/51/1074698551.db2.gz DWFQIJWVFWQUKI-GJZGRUSLSA-N 2 1 381.477 -1.708 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001325593326 1074698632 /nfs/dbraw/zinc/69/86/32/1074698632.db2.gz DWFQIJWVFWQUKI-HUUCEWRRSA-N 2 1 381.477 -1.708 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001325593326 1074698628 /nfs/dbraw/zinc/69/86/28/1074698628.db2.gz DWFQIJWVFWQUKI-HUUCEWRRSA-N 2 1 381.477 -1.708 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001325593330 1074698746 /nfs/dbraw/zinc/69/87/46/1074698746.db2.gz DWFQIJWVFWQUKI-LSDHHAIUSA-N 2 1 381.477 -1.708 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001325593330 1074698743 /nfs/dbraw/zinc/69/87/43/1074698743.db2.gz DWFQIJWVFWQUKI-LSDHHAIUSA-N 2 1 381.477 -1.708 20 0 GAADMP [NH3+]CCN(CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC001326317002 1074729123 /nfs/dbraw/zinc/72/91/23/1074729123.db2.gz KOKQMKWVWRKGAM-UHFFFAOYSA-N 2 1 395.529 -1.107 20 0 GAADMP CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CNC(=O)C[NH3+])cc1 ZINC001326325045 1074729062 /nfs/dbraw/zinc/72/90/62/1074729062.db2.gz FHJGQJBSIHZTEP-UHFFFAOYSA-N 2 1 376.461 -1.090 20 0 GAADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC001326426929 1074731532 /nfs/dbraw/zinc/73/15/32/1074731532.db2.gz JWNDDAANTYUMPO-UHFFFAOYSA-N 2 1 379.465 -1.337 20 0 GAADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC001326592020 1074743174 /nfs/dbraw/zinc/74/31/74/1074743174.db2.gz TUJSZFUBEXUVTD-BRWVUGGUSA-N 2 1 397.520 -1.669 20 0 GAADMP CCO[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C[NH3+] ZINC001326592021 1074743055 /nfs/dbraw/zinc/74/30/55/1074743055.db2.gz TUJSZFUBEXUVTD-IXDOHACOSA-N 2 1 397.520 -1.669 20 0 GAADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC001326597288 1074743404 /nfs/dbraw/zinc/74/34/04/1074743404.db2.gz QEQWSODJWVERJG-GOSISDBHSA-N 2 1 394.564 -1.166 20 0 GAADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC001326597292 1074743564 /nfs/dbraw/zinc/74/35/64/1074743564.db2.gz QEQWSODJWVERJG-SFHVURJKSA-N 2 1 394.564 -1.166 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326598058 1074743589 /nfs/dbraw/zinc/74/35/89/1074743589.db2.gz WIFOGZSSCTYLCO-DOTOQJQBSA-N 2 1 380.537 -1.367 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326598073 1074743650 /nfs/dbraw/zinc/74/36/50/1074743650.db2.gz WIFOGZSSCTYLCO-NVXWUHKLSA-N 2 1 380.537 -1.367 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326598074 1074743379 /nfs/dbraw/zinc/74/33/79/1074743379.db2.gz WIFOGZSSCTYLCO-RDJZCZTQSA-N 2 1 380.537 -1.367 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001326598075 1074743485 /nfs/dbraw/zinc/74/34/85/1074743485.db2.gz WIFOGZSSCTYLCO-WBVHZDCISA-N 2 1 380.537 -1.367 20 0 GAADMP COCC[NH2+]C1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC001326601420 1074743864 /nfs/dbraw/zinc/74/38/64/1074743864.db2.gz KVVOQLHCNZSZEX-HNNXBMFYSA-N 2 1 397.520 -1.083 20 0 GAADMP COCC[NH2+]C1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC001326601421 1074743915 /nfs/dbraw/zinc/74/39/15/1074743915.db2.gz KVVOQLHCNZSZEX-OAHLLOKOSA-N 2 1 397.520 -1.083 20 0 GAADMP O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326806432 1074754540 /nfs/dbraw/zinc/75/45/40/1074754540.db2.gz FWZIGOJTZHFLDW-UONOGXRCSA-N 2 1 375.433 -1.898 20 0 GAADMP O=C(/C=C/C=C/C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001326820740 1074755812 /nfs/dbraw/zinc/75/58/12/1074755812.db2.gz CHDCMCOCVUEKTG-CAHBMZBISA-N 2 1 390.484 -1.346 20 0 GAADMP O=C(/C=C/C=C\C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001326820743 1074755648 /nfs/dbraw/zinc/75/56/48/1074755648.db2.gz CHDCMCOCVUEKTG-XSMZQNIISA-N 2 1 390.484 -1.346 20 0 GAADMP O=C(/C=C/C=C\C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001326820743 1074755643 /nfs/dbraw/zinc/75/56/43/1074755643.db2.gz CHDCMCOCVUEKTG-XSMZQNIISA-N 2 1 390.484 -1.346 20 0 GAADMP O=C(/C=C/C=C\C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001326820743 1074755636 /nfs/dbraw/zinc/75/56/36/1074755636.db2.gz CHDCMCOCVUEKTG-XSMZQNIISA-N 2 1 390.484 -1.346 20 0 GAADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001326908114 1074760146 /nfs/dbraw/zinc/76/01/46/1074760146.db2.gz HOVVLRTXBNKBSU-YESZJQIVSA-N 2 1 381.521 -1.035 20 0 GAADMP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001326908115 1074760003 /nfs/dbraw/zinc/76/00/03/1074760003.db2.gz HOVVLRTXBNKBSU-ZACQAIPSSA-N 2 1 381.521 -1.035 20 0 GAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC001327496411 1074788529 /nfs/dbraw/zinc/78/85/29/1074788529.db2.gz UAVNBYUSXQKKFT-CYBMUJFWSA-N 2 1 379.465 -1.153 20 0 GAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)n1 ZINC001327496418 1074788567 /nfs/dbraw/zinc/78/85/67/1074788567.db2.gz UAVNBYUSXQKKFT-ZDUSSCGKSA-N 2 1 379.465 -1.153 20 0 GAADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327501435 1074788456 /nfs/dbraw/zinc/78/84/56/1074788456.db2.gz YMFDTSNWVBVYKF-LBPRGKRZSA-N 2 1 392.460 -1.031 20 0 GAADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327534021 1074790826 /nfs/dbraw/zinc/79/08/26/1074790826.db2.gz WSSADDQPOVXGDD-UHFFFAOYSA-N 3 1 393.492 -1.259 20 0 GAADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327534021 1074790819 /nfs/dbraw/zinc/79/08/19/1074790819.db2.gz WSSADDQPOVXGDD-UHFFFAOYSA-N 2 1 393.492 -1.259 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001327541334 1074791152 /nfs/dbraw/zinc/79/11/52/1074791152.db2.gz HUCXZISNCOUMNC-HNNXBMFYSA-N 2 1 397.520 -1.070 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001327541334 1074791147 /nfs/dbraw/zinc/79/11/47/1074791147.db2.gz HUCXZISNCOUMNC-HNNXBMFYSA-N 2 1 397.520 -1.070 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001327541339 1074791287 /nfs/dbraw/zinc/79/12/87/1074791287.db2.gz HUCXZISNCOUMNC-OAHLLOKOSA-N 2 1 397.520 -1.070 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001327541339 1074791275 /nfs/dbraw/zinc/79/12/75/1074791275.db2.gz HUCXZISNCOUMNC-OAHLLOKOSA-N 2 1 397.520 -1.070 20 0 GAADMP CNc1nc(N2CCC([NH2+]CCO)CC2)nc(N2CCC([NH2+]CCO)CC2)[nH+]1 ZINC001327602194 1074794326 /nfs/dbraw/zinc/79/43/26/1074794326.db2.gz YQKVPKGLWAXODA-UHFFFAOYSA-N 3 1 394.524 -1.563 20 0 GAADMP O=C(C[NH+]1C[C@H]2[C@H](CO)[C@H]2C1)N1CCN(C(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC001327729952 1074799324 /nfs/dbraw/zinc/79/93/24/1074799324.db2.gz QUASQOYKXPZAHF-HKCPWHJYSA-N 2 1 392.500 -2.003 20 0 GAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)C[C@H]2[NH3+])cn1 ZINC001327960580 1074811457 /nfs/dbraw/zinc/81/14/57/1074811457.db2.gz FKMQDZBZHDDVNN-LSDHHAIUSA-N 2 1 391.476 -2.047 20 0 GAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C[C@H]2[NH3+])cn1 ZINC001327961942 1074811952 /nfs/dbraw/zinc/81/19/52/1074811952.db2.gz QOYWPRBOLDYCMD-JKSUJKDBSA-N 2 1 391.520 -1.185 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC001328264603 1074826705 /nfs/dbraw/zinc/82/67/05/1074826705.db2.gz RWMXWQPACFGEKF-INIZCTEOSA-N 2 1 395.504 -1.364 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC001328264604 1074826603 /nfs/dbraw/zinc/82/66/03/1074826603.db2.gz RWMXWQPACFGEKF-MRXNPFEDSA-N 2 1 395.504 -1.364 20 0 GAADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC001329031879 1074861689 /nfs/dbraw/zinc/86/16/89/1074861689.db2.gz HVCPOFKINWTRKA-AWEZNQCLSA-N 2 1 379.465 -1.161 20 0 GAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2[NH3+])cn1 ZINC001329125557 1074865121 /nfs/dbraw/zinc/86/51/21/1074865121.db2.gz JICHBYHIOWBCID-FXUDXRNXSA-N 2 1 376.461 -1.347 20 0 GAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2[NH3+])cn1 ZINC001329125558 1074865200 /nfs/dbraw/zinc/86/52/00/1074865200.db2.gz JICHBYHIOWBCID-LVQVYYBASA-N 2 1 376.461 -1.347 20 0 GAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2[NH3+])cn1 ZINC001329125559 1074865235 /nfs/dbraw/zinc/86/52/35/1074865235.db2.gz JICHBYHIOWBCID-XUWVNRHRSA-N 2 1 376.461 -1.347 20 0 GAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2[NH3+])cn1 ZINC001329125560 1074865187 /nfs/dbraw/zinc/86/51/87/1074865187.db2.gz JICHBYHIOWBCID-YHUYYLMFSA-N 2 1 376.461 -1.347 20 0 GAADMP C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001329163110 1074867578 /nfs/dbraw/zinc/86/75/78/1074867578.db2.gz OOSVGFPFAITAFN-UHFFFAOYSA-N 2 1 397.520 -1.307 20 0 GAADMP CC(=O)N1CCN(C(=O)C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC001329594828 1074886018 /nfs/dbraw/zinc/88/60/18/1074886018.db2.gz DNNZZTFSCDOTFT-CVEARBPZSA-N 2 1 379.461 -1.066 20 0 GAADMP O=C(NCC[NH+]1CC[C@H](O)C1)c1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)o1 ZINC001329626535 1074887788 /nfs/dbraw/zinc/88/77/88/1074887788.db2.gz PXIIBRAODDQTDH-KBPBESRZSA-N 2 1 380.445 -1.128 20 0 GAADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001329838982 1074897416 /nfs/dbraw/zinc/89/74/16/1074897416.db2.gz XPIVLBAZMLUBGW-UHFFFAOYSA-N 2 1 397.520 -1.068 20 0 GAADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC001329863535 1074899582 /nfs/dbraw/zinc/89/95/82/1074899582.db2.gz WZGLHJGRWHKGDO-AWEZNQCLSA-N 2 1 391.476 -1.505 20 0 GAADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC001329863536 1074899595 /nfs/dbraw/zinc/89/95/95/1074899595.db2.gz WZGLHJGRWHKGDO-CQSZACIVSA-N 2 1 391.476 -1.505 20 0 GAADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001329993547 1074905661 /nfs/dbraw/zinc/90/56/61/1074905661.db2.gz VXESHWRPYUWLFN-DLBZAZTESA-N 2 1 381.521 -1.202 20 0 GAADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001330000042 1074905689 /nfs/dbraw/zinc/90/56/89/1074905689.db2.gz FCFVSDAAYTYPEO-BHYGNILZSA-N 2 1 380.489 -1.119 20 0 GAADMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001330000043 1074906025 /nfs/dbraw/zinc/90/60/25/1074906025.db2.gz FCFVSDAAYTYPEO-HYVNUMGLSA-N 2 1 380.489 -1.119 20 0 GAADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001330027577 1074907064 /nfs/dbraw/zinc/90/70/64/1074907064.db2.gz QBQOJNPGNWIXIU-CYBMUJFWSA-N 2 1 375.495 -1.484 20 0 GAADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001330027584 1074907075 /nfs/dbraw/zinc/90/70/75/1074907075.db2.gz QBQOJNPGNWIXIU-ZDUSSCGKSA-N 2 1 375.495 -1.484 20 0 GAADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC001330055877 1074907660 /nfs/dbraw/zinc/90/76/60/1074907660.db2.gz IXSZZGCCVUFISG-UHFFFAOYSA-N 2 1 383.493 -1.519 20 0 GAADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC001330071951 1074908003 /nfs/dbraw/zinc/90/80/03/1074908003.db2.gz SAZMUNIAHXXWSR-ZDUSSCGKSA-N 2 1 379.465 -1.161 20 0 GAADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001330524131 1074918891 /nfs/dbraw/zinc/91/88/91/1074918891.db2.gz AILZUXOEYOOCKD-GDBMZVCRSA-N 2 1 397.520 -1.072 20 0 GAADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001330524131 1074918887 /nfs/dbraw/zinc/91/88/87/1074918887.db2.gz AILZUXOEYOOCKD-GDBMZVCRSA-N 2 1 397.520 -1.072 20 0 GAADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001330524132 1074918776 /nfs/dbraw/zinc/91/87/76/1074918776.db2.gz AILZUXOEYOOCKD-GOEBONIOSA-N 2 1 397.520 -1.072 20 0 GAADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001330524132 1074918769 /nfs/dbraw/zinc/91/87/69/1074918769.db2.gz AILZUXOEYOOCKD-GOEBONIOSA-N 2 1 397.520 -1.072 20 0 GAADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001330524133 1074918854 /nfs/dbraw/zinc/91/88/54/1074918854.db2.gz AILZUXOEYOOCKD-HOCLYGCPSA-N 2 1 397.520 -1.072 20 0 GAADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001330524133 1074918850 /nfs/dbraw/zinc/91/88/50/1074918850.db2.gz AILZUXOEYOOCKD-HOCLYGCPSA-N 2 1 397.520 -1.072 20 0 GAADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001330524134 1074918829 /nfs/dbraw/zinc/91/88/29/1074918829.db2.gz AILZUXOEYOOCKD-ZBFHGGJFSA-N 2 1 397.520 -1.072 20 0 GAADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001330524134 1074918820 /nfs/dbraw/zinc/91/88/20/1074918820.db2.gz AILZUXOEYOOCKD-ZBFHGGJFSA-N 2 1 397.520 -1.072 20 0 GAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC001330542618 1074919153 /nfs/dbraw/zinc/91/91/53/1074919153.db2.gz AVTCMRMLNMFUNV-GFCCVEGCSA-N 2 1 378.433 -1.562 20 0 GAADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC001330542621 1074919028 /nfs/dbraw/zinc/91/90/28/1074919028.db2.gz AVTCMRMLNMFUNV-LBPRGKRZSA-N 2 1 378.433 -1.562 20 0 GAADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001331115971 1074930865 /nfs/dbraw/zinc/93/08/65/1074930865.db2.gz FYJYOKBMKMDONV-BXWFABGCSA-N 2 1 379.505 -1.151 20 0 GAADMP [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001331115972 1074930781 /nfs/dbraw/zinc/93/07/81/1074930781.db2.gz FYJYOKBMKMDONV-FCEWJHQRSA-N 2 1 379.505 -1.151 20 0 GAADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001331115973 1074930804 /nfs/dbraw/zinc/93/08/04/1074930804.db2.gz FYJYOKBMKMDONV-GJYPPUQNSA-N 2 1 379.505 -1.151 20 0 GAADMP [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001331115974 1074930837 /nfs/dbraw/zinc/93/08/37/1074930837.db2.gz FYJYOKBMKMDONV-MDZRGWNJSA-N 2 1 379.505 -1.151 20 0 GAADMP CN1C(=O)[C@H]2C[NH+](CC3(C[N@@H+]4C[C@@H]5C(=O)N(C)C(=O)[C@@H]5C4)COC3)C[C@H]2C1=O ZINC001331142967 1074931134 /nfs/dbraw/zinc/93/11/34/1074931134.db2.gz BNXKJDSXEMRQHR-KPWCQOOUSA-N 2 1 390.440 -1.904 20 0 GAADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001331160931 1074931305 /nfs/dbraw/zinc/93/13/05/1074931305.db2.gz MCVMVYPQDQEBLT-BEAPCOKYSA-N 2 1 377.445 -1.267 20 0 GAADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001331160936 1074931367 /nfs/dbraw/zinc/93/13/67/1074931367.db2.gz MCVMVYPQDQEBLT-MHEUCROKSA-N 2 1 377.445 -1.267 20 0 GAADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001331160941 1074931378 /nfs/dbraw/zinc/93/13/78/1074931378.db2.gz MCVMVYPQDQEBLT-MYPMTAMASA-N 2 1 377.445 -1.267 20 0 GAADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001331160947 1074931403 /nfs/dbraw/zinc/93/14/03/1074931403.db2.gz MCVMVYPQDQEBLT-NGFQHRJXSA-N 2 1 377.445 -1.267 20 0 GAADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331231077 1074988746 /nfs/dbraw/zinc/98/87/46/1074988746.db2.gz BLYCGZHUSABQHU-DLBZAZTESA-N 2 1 381.521 -1.033 20 0 GAADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331231077 1074988742 /nfs/dbraw/zinc/98/87/42/1074988742.db2.gz BLYCGZHUSABQHU-DLBZAZTESA-N 2 1 381.521 -1.033 20 0 GAADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331231078 1074989237 /nfs/dbraw/zinc/98/92/37/1074989237.db2.gz BLYCGZHUSABQHU-IAGOWNOFSA-N 2 1 381.521 -1.033 20 0 GAADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331231078 1074989236 /nfs/dbraw/zinc/98/92/36/1074989236.db2.gz BLYCGZHUSABQHU-IAGOWNOFSA-N 2 1 381.521 -1.033 20 0 GAADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331231079 1074989146 /nfs/dbraw/zinc/98/91/46/1074989146.db2.gz BLYCGZHUSABQHU-IRXDYDNUSA-N 2 1 381.521 -1.033 20 0 GAADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331231079 1074989143 /nfs/dbraw/zinc/98/91/43/1074989143.db2.gz BLYCGZHUSABQHU-IRXDYDNUSA-N 2 1 381.521 -1.033 20 0 GAADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001331231080 1074989106 /nfs/dbraw/zinc/98/91/06/1074989106.db2.gz BLYCGZHUSABQHU-SJORKVTESA-N 2 1 381.521 -1.033 20 0 GAADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC001331231080 1074989103 /nfs/dbraw/zinc/98/91/03/1074989103.db2.gz BLYCGZHUSABQHU-SJORKVTESA-N 2 1 381.521 -1.033 20 0 GAADMP O=C(NC[C@H]1C[NH2+]CCC1(F)F)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001331436902 1074993296 /nfs/dbraw/zinc/99/32/96/1074993296.db2.gz MMBUKKDZKFPZAT-LLVKDONJSA-N 2 1 381.449 -1.140 20 0 GAADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001331436910 1074993274 /nfs/dbraw/zinc/99/32/74/1074993274.db2.gz MMBUKKDZKFPZAT-NSHDSACASA-N 2 1 381.449 -1.140 20 0 GAADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001331604165 1074997590 /nfs/dbraw/zinc/99/75/90/1074997590.db2.gz OGRHUNIMUDPIPR-FRQCXROJSA-N 2 1 379.505 -1.423 20 0 GAADMP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CCN3CCOCC3)C1)C2 ZINC001331604166 1074997619 /nfs/dbraw/zinc/99/76/19/1074997619.db2.gz OGRHUNIMUDPIPR-TXPKVOOTSA-N 2 1 379.505 -1.423 20 0 GAADMP C[NH2+]CCOCCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001331606617 1074997885 /nfs/dbraw/zinc/99/78/85/1074997885.db2.gz WOIIXMFFJUKBHL-UHFFFAOYSA-N 2 1 383.493 -1.649 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001331732284 1075002211 /nfs/dbraw/zinc/00/22/11/1075002211.db2.gz WFZBCNJGQUUYSQ-CVEARBPZSA-N 2 1 379.505 -1.090 20 0 GAADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC001331732285 1075002142 /nfs/dbraw/zinc/00/21/42/1075002142.db2.gz WFZBCNJGQUUYSQ-HOTGVXAUSA-N 2 1 379.505 -1.090 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC001331732286 1075002250 /nfs/dbraw/zinc/00/22/50/1075002250.db2.gz WFZBCNJGQUUYSQ-HZPDHXFCSA-N 2 1 379.505 -1.090 20 0 GAADMP O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001331732287 1075002110 /nfs/dbraw/zinc/00/21/10/1075002110.db2.gz WFZBCNJGQUUYSQ-JKSUJKDBSA-N 2 1 379.505 -1.090 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cn1 ZINC001331782428 1075004262 /nfs/dbraw/zinc/00/42/62/1075004262.db2.gz RCEXWLYIKANBRH-AWEZNQCLSA-N 2 1 379.465 -1.290 20 0 GAADMP COC(=O)NC1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001331980834 1075007453 /nfs/dbraw/zinc/00/74/53/1075007453.db2.gz KOWQXIJEUPWPKL-GASCZTMLSA-N 2 1 379.461 -1.020 20 0 GAADMP COC(=O)NC1CN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001331980834 1075007448 /nfs/dbraw/zinc/00/74/48/1075007448.db2.gz KOWQXIJEUPWPKL-GASCZTMLSA-N 2 1 379.461 -1.020 20 0 GAADMP O=C(C(=O)N1CC[C@H](O)[C@H](CO)C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001332001203 1075008278 /nfs/dbraw/zinc/00/82/78/1075008278.db2.gz QTLKLSACCHWBKC-LLLHUVSDSA-N 2 1 380.489 -1.385 20 0 GAADMP O=C(C(=O)N1CC[C@H](O)[C@H](CO)C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001332001203 1075008275 /nfs/dbraw/zinc/00/82/75/1075008275.db2.gz QTLKLSACCHWBKC-LLLHUVSDSA-N 2 1 380.489 -1.385 20 0 GAADMP O=C(C(=O)N1CC[C@@H](O)[C@@H](CO)C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001332001204 1075008246 /nfs/dbraw/zinc/00/82/46/1075008246.db2.gz QTLKLSACCHWBKC-MXASKKJJSA-N 2 1 380.489 -1.385 20 0 GAADMP O=C(C(=O)N1CC[C@@H](O)[C@@H](CO)C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001332001204 1075008242 /nfs/dbraw/zinc/00/82/42/1075008242.db2.gz QTLKLSACCHWBKC-MXASKKJJSA-N 2 1 380.489 -1.385 20 0 GAADMP O=C(C(=O)N1CC[C@@H](O)[C@H](CO)C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001332001205 1075008202 /nfs/dbraw/zinc/00/82/02/1075008202.db2.gz QTLKLSACCHWBKC-QMCVQRASSA-N 2 1 380.489 -1.385 20 0 GAADMP O=C(C(=O)N1CC[C@@H](O)[C@H](CO)C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001332001205 1075008199 /nfs/dbraw/zinc/00/81/99/1075008199.db2.gz QTLKLSACCHWBKC-QMCVQRASSA-N 2 1 380.489 -1.385 20 0 GAADMP O=C(C(=O)N1CC[C@H](O)[C@@H](CO)C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001332001206 1075008326 /nfs/dbraw/zinc/00/83/26/1075008326.db2.gz QTLKLSACCHWBKC-SIXLDLHFSA-N 2 1 380.489 -1.385 20 0 GAADMP O=C(C(=O)N1CC[C@H](O)[C@@H](CO)C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001332001206 1075008321 /nfs/dbraw/zinc/00/83/21/1075008321.db2.gz QTLKLSACCHWBKC-SIXLDLHFSA-N 2 1 380.489 -1.385 20 0 GAADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332306485 1075013432 /nfs/dbraw/zinc/01/34/32/1075013432.db2.gz TYAWBOHWCFEXAJ-KRWDZBQOSA-N 2 1 379.505 -1.065 20 0 GAADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332306485 1075013428 /nfs/dbraw/zinc/01/34/28/1075013428.db2.gz TYAWBOHWCFEXAJ-KRWDZBQOSA-N 2 1 379.505 -1.065 20 0 GAADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001332306488 1075013362 /nfs/dbraw/zinc/01/33/62/1075013362.db2.gz TYAWBOHWCFEXAJ-QGZVFWFLSA-N 2 1 379.505 -1.065 20 0 GAADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001332306488 1075013357 /nfs/dbraw/zinc/01/33/57/1075013357.db2.gz TYAWBOHWCFEXAJ-QGZVFWFLSA-N 2 1 379.505 -1.065 20 0 GAADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC001332698078 1075021625 /nfs/dbraw/zinc/02/16/25/1075021625.db2.gz CHDDBVRDURVNLB-HLIPFELVSA-N 2 1 393.532 -1.081 20 0 GAADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC001332698078 1075021624 /nfs/dbraw/zinc/02/16/24/1075021624.db2.gz CHDDBVRDURVNLB-HLIPFELVSA-N 2 1 393.532 -1.081 20 0 GAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC001332698078 1075021623 /nfs/dbraw/zinc/02/16/23/1075021623.db2.gz CHDDBVRDURVNLB-HLIPFELVSA-N 2 1 393.532 -1.081 20 0 GAADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC001332698104 1075021608 /nfs/dbraw/zinc/02/16/08/1075021608.db2.gz CHDDBVRDURVNLB-UWVAXJGDSA-N 2 1 393.532 -1.081 20 0 GAADMP C[NH+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC001332698104 1075021605 /nfs/dbraw/zinc/02/16/05/1075021605.db2.gz CHDDBVRDURVNLB-UWVAXJGDSA-N 2 1 393.532 -1.081 20 0 GAADMP C[N@H+]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC001332698104 1075021602 /nfs/dbraw/zinc/02/16/02/1075021602.db2.gz CHDDBVRDURVNLB-UWVAXJGDSA-N 2 1 393.532 -1.081 20 0 GAADMP CN(C(=O)[C@@H](N)CC[NH+](C)C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001332723275 1075021953 /nfs/dbraw/zinc/02/19/53/1075021953.db2.gz JKXAQADJTHHFCE-KRWDZBQOSA-N 2 1 382.553 -1.038 20 0 GAADMP CN(C(=O)[C@H](N)CC[NH+](C)C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001332723287 1075022011 /nfs/dbraw/zinc/02/20/11/1075022011.db2.gz JKXAQADJTHHFCE-QGZVFWFLSA-N 2 1 382.553 -1.038 20 0 GAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001332999906 1075027389 /nfs/dbraw/zinc/02/73/89/1075027389.db2.gz VWVNZLHTTAKRFN-LSDHHAIUSA-N 2 1 381.477 -2.067 20 0 GAADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001332999906 1075027383 /nfs/dbraw/zinc/02/73/83/1075027383.db2.gz VWVNZLHTTAKRFN-LSDHHAIUSA-N 2 1 381.477 -2.067 20 0 GAADMP C[C@H](CNC(=O)C[NH+]1CC[C@]2(CNC(=O)C2)C1)[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC001333015956 1075027293 /nfs/dbraw/zinc/02/72/93/1075027293.db2.gz FCPIMEICTSOTJE-CCKFTAQKSA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[NH+]1CC[C@]2(CNC(=O)C2)C1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC001333015956 1075027287 /nfs/dbraw/zinc/02/72/87/1075027287.db2.gz FCPIMEICTSOTJE-CCKFTAQKSA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1)[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC001333015956 1075027282 /nfs/dbraw/zinc/02/72/82/1075027282.db2.gz FCPIMEICTSOTJE-CCKFTAQKSA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC001333015956 1075027278 /nfs/dbraw/zinc/02/72/78/1075027278.db2.gz FCPIMEICTSOTJE-CCKFTAQKSA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[NH+]1CC[C@]2(CNC(=O)C2)C1)[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC001333015958 1075027333 /nfs/dbraw/zinc/02/73/33/1075027333.db2.gz FCPIMEICTSOTJE-MDASCCDHSA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[NH+]1CC[C@]2(CNC(=O)C2)C1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC001333015958 1075027327 /nfs/dbraw/zinc/02/73/27/1075027327.db2.gz FCPIMEICTSOTJE-MDASCCDHSA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1)[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC001333015958 1075027321 /nfs/dbraw/zinc/02/73/21/1075027321.db2.gz FCPIMEICTSOTJE-MDASCCDHSA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC001333015958 1075027314 /nfs/dbraw/zinc/02/73/14/1075027314.db2.gz FCPIMEICTSOTJE-MDASCCDHSA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1)[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC001333015960 1075027445 /nfs/dbraw/zinc/02/74/45/1075027445.db2.gz FCPIMEICTSOTJE-NIKGAXFTSA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC001333015960 1075027440 /nfs/dbraw/zinc/02/74/40/1075027440.db2.gz FCPIMEICTSOTJE-NIKGAXFTSA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC001333015960 1075027435 /nfs/dbraw/zinc/02/74/35/1075027435.db2.gz FCPIMEICTSOTJE-NIKGAXFTSA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)[NH+]1CC[C@@]2(CNC(=O)C2)C1 ZINC001333015960 1075027432 /nfs/dbraw/zinc/02/74/32/1075027432.db2.gz FCPIMEICTSOTJE-NIKGAXFTSA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1)[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC001333015961 1075027218 /nfs/dbraw/zinc/02/72/18/1075027218.db2.gz FCPIMEICTSOTJE-ZMYBRWDISA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC001333015961 1075027214 /nfs/dbraw/zinc/02/72/14/1075027214.db2.gz FCPIMEICTSOTJE-ZMYBRWDISA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC001333015961 1075027208 /nfs/dbraw/zinc/02/72/08/1075027208.db2.gz FCPIMEICTSOTJE-ZMYBRWDISA-N 2 1 377.489 -1.085 20 0 GAADMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)[NH+]1CC[C@]2(CNC(=O)C2)C1 ZINC001333015961 1075027203 /nfs/dbraw/zinc/02/72/03/1075027203.db2.gz FCPIMEICTSOTJE-ZMYBRWDISA-N 2 1 377.489 -1.085 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC001333406764 1075032248 /nfs/dbraw/zinc/03/22/48/1075032248.db2.gz RDDTULXTSDTNQA-GFCCVEGCSA-N 2 1 375.420 -1.372 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC001333406765 1075032293 /nfs/dbraw/zinc/03/22/93/1075032293.db2.gz RDDTULXTSDTNQA-LBPRGKRZSA-N 2 1 375.420 -1.372 20 0 GAADMP Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[NH2+]CC[NH2+]CC2)CC1 ZINC001333529633 1075034691 /nfs/dbraw/zinc/03/46/91/1075034691.db2.gz OXJSXSJHWARATM-UHFFFAOYSA-N 2 1 387.492 -1.493 20 0 GAADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001333534496 1075034620 /nfs/dbraw/zinc/03/46/20/1075034620.db2.gz GEIJNJRGRPUUDT-INIZCTEOSA-N 2 1 397.520 -1.070 20 0 GAADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC001333534498 1075034828 /nfs/dbraw/zinc/03/48/28/1075034828.db2.gz GEIJNJRGRPUUDT-MRXNPFEDSA-N 2 1 397.520 -1.070 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001333925934 1075038270 /nfs/dbraw/zinc/03/82/70/1075038270.db2.gz JRBKFXIJXPKHQG-BARDWOONSA-N 2 1 394.476 -2.258 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001333925949 1075038178 /nfs/dbraw/zinc/03/81/78/1075038178.db2.gz JRBKFXIJXPKHQG-TUVASFSCSA-N 2 1 394.476 -2.258 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001333925952 1075038284 /nfs/dbraw/zinc/03/82/84/1075038284.db2.gz JRBKFXIJXPKHQG-XQLPTFJDSA-N 2 1 394.476 -2.258 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001333925955 1075038250 /nfs/dbraw/zinc/03/82/50/1075038250.db2.gz JRBKFXIJXPKHQG-YJNKXOJESA-N 2 1 394.476 -2.258 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001333944194 1075038649 /nfs/dbraw/zinc/03/86/49/1075038649.db2.gz QTTNSKUBDMQZLX-BRWVUGGUSA-N 2 1 379.505 -1.138 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001333944195 1075038520 /nfs/dbraw/zinc/03/85/20/1075038520.db2.gz QTTNSKUBDMQZLX-IKGGRYGDSA-N 2 1 379.505 -1.138 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001333944196 1075038662 /nfs/dbraw/zinc/03/86/62/1075038662.db2.gz QTTNSKUBDMQZLX-IXDOHACOSA-N 2 1 379.505 -1.138 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001333944197 1075038632 /nfs/dbraw/zinc/03/86/32/1075038632.db2.gz QTTNSKUBDMQZLX-ZACQAIPSSA-N 2 1 379.505 -1.138 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)n[nH]2)C1 ZINC001334639810 1075044797 /nfs/dbraw/zinc/04/47/97/1075044797.db2.gz FXKMGXDJQJDGIM-CALCHBBNSA-N 2 1 380.449 -1.998 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)n[nH]2)C1 ZINC001334639810 1075044792 /nfs/dbraw/zinc/04/47/92/1075044792.db2.gz FXKMGXDJQJDGIM-CALCHBBNSA-N 2 1 380.449 -1.998 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)[nH]n2)C1 ZINC001334639810 1075044790 /nfs/dbraw/zinc/04/47/90/1075044790.db2.gz FXKMGXDJQJDGIM-CALCHBBNSA-N 2 1 380.449 -1.998 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)[nH]n2)C1 ZINC001334639810 1075044786 /nfs/dbraw/zinc/04/47/86/1075044786.db2.gz FXKMGXDJQJDGIM-CALCHBBNSA-N 2 1 380.449 -1.998 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)n[nH]2)C1 ZINC001334639810 1075044784 /nfs/dbraw/zinc/04/47/84/1075044784.db2.gz FXKMGXDJQJDGIM-CALCHBBNSA-N 2 1 380.449 -1.998 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)n[nH]2)C1 ZINC001334639810 1075044780 /nfs/dbraw/zinc/04/47/80/1075044780.db2.gz FXKMGXDJQJDGIM-CALCHBBNSA-N 2 1 380.449 -1.998 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)[nH]n2)C1 ZINC001334639810 1075044776 /nfs/dbraw/zinc/04/47/76/1075044776.db2.gz FXKMGXDJQJDGIM-CALCHBBNSA-N 2 1 380.449 -1.998 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)n[nH]2)C1 ZINC001334639811 1075044749 /nfs/dbraw/zinc/04/47/49/1075044749.db2.gz FXKMGXDJQJDGIM-IAGOWNOFSA-N 2 1 380.449 -1.998 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)n[nH]2)C1 ZINC001334639811 1075044743 /nfs/dbraw/zinc/04/47/43/1075044743.db2.gz FXKMGXDJQJDGIM-IAGOWNOFSA-N 2 1 380.449 -1.998 20 0 GAADMP C[NH+]1CC[C@@](O)(CNC(=O)c2cc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)[nH]n2)C1 ZINC001334639811 1075044737 /nfs/dbraw/zinc/04/47/37/1075044737.db2.gz FXKMGXDJQJDGIM-IAGOWNOFSA-N 2 1 380.449 -1.998 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)n[nH]2)C1 ZINC001334639812 1075044692 /nfs/dbraw/zinc/04/46/92/1075044692.db2.gz FXKMGXDJQJDGIM-IRXDYDNUSA-N 2 1 380.449 -1.998 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)n[nH]2)C1 ZINC001334639812 1075044690 /nfs/dbraw/zinc/04/46/90/1075044690.db2.gz FXKMGXDJQJDGIM-IRXDYDNUSA-N 2 1 380.449 -1.998 20 0 GAADMP C[NH+]1CC[C@](O)(CNC(=O)c2cc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)[nH]n2)C1 ZINC001334639812 1075044683 /nfs/dbraw/zinc/04/46/83/1075044683.db2.gz FXKMGXDJQJDGIM-IRXDYDNUSA-N 2 1 380.449 -1.998 20 0 GAADMP CS(=O)(=O)CCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335170942 1075053876 /nfs/dbraw/zinc/05/38/76/1075053876.db2.gz PLLCUKSZMAXPNH-GASCZTMLSA-N 2 1 386.518 -1.036 20 0 GAADMP CS(=O)(=O)CCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC001335170942 1075053874 /nfs/dbraw/zinc/05/38/74/1075053874.db2.gz PLLCUKSZMAXPNH-GASCZTMLSA-N 2 1 386.518 -1.036 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001335184632 1075054301 /nfs/dbraw/zinc/05/43/01/1075054301.db2.gz PDHDMXZRENRSIF-APWZRJJASA-N 2 1 379.505 -1.136 20 0 GAADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001335184636 1075054200 /nfs/dbraw/zinc/05/42/00/1075054200.db2.gz PDHDMXZRENRSIF-LPHOPBHVSA-N 2 1 379.505 -1.136 20 0 GAADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001335184640 1075054272 /nfs/dbraw/zinc/05/42/72/1075054272.db2.gz PDHDMXZRENRSIF-QFBILLFUSA-N 2 1 379.505 -1.136 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001335184643 1075054346 /nfs/dbraw/zinc/05/43/46/1075054346.db2.gz PDHDMXZRENRSIF-VQIMIIECSA-N 2 1 379.505 -1.136 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[C@@H]1C[NH3+] ZINC001335184692 1075054341 /nfs/dbraw/zinc/05/43/41/1075054341.db2.gz PNBMQVRAEIUVGT-BRWVUGGUSA-N 2 1 381.521 -1.048 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[C@H]1C[NH3+] ZINC001335184694 1075054321 /nfs/dbraw/zinc/05/43/21/1075054321.db2.gz PNBMQVRAEIUVGT-IKGGRYGDSA-N 2 1 381.521 -1.048 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[C@H]1C[NH3+] ZINC001335184696 1075054334 /nfs/dbraw/zinc/05/43/34/1075054334.db2.gz PNBMQVRAEIUVGT-IXDOHACOSA-N 2 1 381.521 -1.048 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[C@@H]1C[NH3+] ZINC001335184698 1075054310 /nfs/dbraw/zinc/05/43/10/1075054310.db2.gz PNBMQVRAEIUVGT-ZACQAIPSSA-N 2 1 381.521 -1.048 20 0 GAADMP O=C(CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCOCC1 ZINC001335206560 1075054880 /nfs/dbraw/zinc/05/48/80/1075054880.db2.gz LBUWXHJCFJUPLC-IYBDPMFKSA-N 2 1 393.488 -1.611 20 0 GAADMP O=C(CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCOCC1 ZINC001335206560 1075054878 /nfs/dbraw/zinc/05/48/78/1075054878.db2.gz LBUWXHJCFJUPLC-IYBDPMFKSA-N 2 1 393.488 -1.611 20 0 GAADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001335208752 1075054891 /nfs/dbraw/zinc/05/48/91/1075054891.db2.gz VFUUBVROTAKXSU-BRWVUGGUSA-N 2 1 381.521 -1.129 20 0 GAADMP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001335208778 1075054863 /nfs/dbraw/zinc/05/48/63/1075054863.db2.gz VFUUBVROTAKXSU-ZACQAIPSSA-N 2 1 381.521 -1.129 20 0 GAADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001335378914 1075057307 /nfs/dbraw/zinc/05/73/07/1075057307.db2.gz KYQSYJLGOMLOJW-INIZCTEOSA-N 2 1 392.504 -1.148 20 0 GAADMP O=C(C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC001335378915 1075057381 /nfs/dbraw/zinc/05/73/81/1075057381.db2.gz KYQSYJLGOMLOJW-MRXNPFEDSA-N 2 1 392.504 -1.148 20 0 GAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001335390868 1075057409 /nfs/dbraw/zinc/05/74/09/1075057409.db2.gz HIIPNSJSINTXPL-BBWFWOEESA-N 2 1 380.489 -1.119 20 0 GAADMP O=C(C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001335390870 1075057424 /nfs/dbraw/zinc/05/74/24/1075057424.db2.gz HIIPNSJSINTXPL-GVDBMIGSSA-N 2 1 380.489 -1.119 20 0 GAADMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CC1=O ZINC001335450830 1075058206 /nfs/dbraw/zinc/05/82/06/1075058206.db2.gz IWALIPLIPDUTKT-AWEZNQCLSA-N 2 1 377.507 -1.305 20 0 GAADMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]CC2(O)CCS(=O)(=O)CC2)CC1=O ZINC001335450831 1075058261 /nfs/dbraw/zinc/05/82/61/1075058261.db2.gz IWALIPLIPDUTKT-CQSZACIVSA-N 2 1 377.507 -1.305 20 0 GAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCN3CCC([NH3+])CC3)C2)CC1 ZINC001335751658 1075061178 /nfs/dbraw/zinc/06/11/78/1075061178.db2.gz OSYIWRGGLDMAFW-INIZCTEOSA-N 2 1 380.537 -1.190 20 0 GAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCN3CCC([NH3+])CC3)C2)CC1 ZINC001335751658 1075061174 /nfs/dbraw/zinc/06/11/74/1075061174.db2.gz OSYIWRGGLDMAFW-INIZCTEOSA-N 2 1 380.537 -1.190 20 0 GAADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCN3CCC([NH3+])CC3)C2)CC1 ZINC001335751659 1075061203 /nfs/dbraw/zinc/06/12/03/1075061203.db2.gz OSYIWRGGLDMAFW-MRXNPFEDSA-N 2 1 380.537 -1.190 20 0 GAADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCN3CCC([NH3+])CC3)C2)CC1 ZINC001335751659 1075061198 /nfs/dbraw/zinc/06/11/98/1075061198.db2.gz OSYIWRGGLDMAFW-MRXNPFEDSA-N 2 1 380.537 -1.190 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1CC[NH3+] ZINC001335761239 1075061142 /nfs/dbraw/zinc/06/11/42/1075061142.db2.gz ZWMQYXMYBVCVMU-BRWVUGGUSA-N 2 1 381.521 -1.048 20 0 GAADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1CC[NH3+] ZINC001335761240 1075061223 /nfs/dbraw/zinc/06/12/23/1075061223.db2.gz ZWMQYXMYBVCVMU-ZACQAIPSSA-N 2 1 381.521 -1.048 20 0 GAADMP COC(=O)N1CC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC001336557976 1075066665 /nfs/dbraw/zinc/06/66/65/1075066665.db2.gz UJAKUPJCKSVKPT-GASCZTMLSA-N 2 1 379.461 -1.020 20 0 GAADMP COC(=O)N1CC(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC001336557976 1075066663 /nfs/dbraw/zinc/06/66/63/1075066663.db2.gz UJAKUPJCKSVKPT-GASCZTMLSA-N 2 1 379.461 -1.020 20 0 GAADMP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCCCCN2CC[NH2+]CC2)CC1 ZINC001336626617 1075067542 /nfs/dbraw/zinc/06/75/42/1075067542.db2.gz BJBSOEGYPKEYHD-UHFFFAOYSA-N 2 1 396.536 -1.542 20 0 GAADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001338278296 1075074021 /nfs/dbraw/zinc/07/40/21/1075074021.db2.gz OWGWGROYZXJTRS-BBWFWOEESA-N 2 1 379.505 -1.423 20 0 GAADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001338278297 1075074084 /nfs/dbraw/zinc/07/40/84/1075074084.db2.gz OWGWGROYZXJTRS-GVDBMIGSSA-N 2 1 379.505 -1.423 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC001338598277 1075075495 /nfs/dbraw/zinc/07/54/95/1075075495.db2.gz OMZUGYTVDRMUHB-AWEZNQCLSA-N 2 1 393.492 -1.043 20 0 GAADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC001338598279 1075075511 /nfs/dbraw/zinc/07/55/11/1075075511.db2.gz OMZUGYTVDRMUHB-CQSZACIVSA-N 2 1 393.492 -1.043 20 0 GAADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC001339205461 1075078727 /nfs/dbraw/zinc/07/87/27/1075078727.db2.gz BXDDNCVLNXVFTR-OWCLPIDISA-N 2 1 390.488 -1.350 20 0 GAADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC001339205461 1075078724 /nfs/dbraw/zinc/07/87/24/1075078724.db2.gz BXDDNCVLNXVFTR-OWCLPIDISA-N 2 1 390.488 -1.350 20 0 GAADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC001339205462 1075078692 /nfs/dbraw/zinc/07/86/92/1075078692.db2.gz BXDDNCVLNXVFTR-XHSDSOJGSA-N 2 1 390.488 -1.350 20 0 GAADMP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCN2C(=O)NC[C@H]2C1 ZINC001339205462 1075078688 /nfs/dbraw/zinc/07/86/88/1075078688.db2.gz BXDDNCVLNXVFTR-XHSDSOJGSA-N 2 1 390.488 -1.350 20 0 GAADMP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001340200453 1075082475 /nfs/dbraw/zinc/08/24/75/1075082475.db2.gz RODPNLKCDZUVLH-DOTOQJQBSA-N 2 1 383.537 -1.100 20 0 GAADMP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001340200461 1075082488 /nfs/dbraw/zinc/08/24/88/1075082488.db2.gz RODPNLKCDZUVLH-NVXWUHKLSA-N 2 1 383.537 -1.100 20 0 GAADMP C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001340200463 1075082422 /nfs/dbraw/zinc/08/24/22/1075082422.db2.gz RODPNLKCDZUVLH-RDJZCZTQSA-N 2 1 383.537 -1.100 20 0 GAADMP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001340200465 1075082450 /nfs/dbraw/zinc/08/24/50/1075082450.db2.gz RODPNLKCDZUVLH-WBVHZDCISA-N 2 1 383.537 -1.100 20 0 GAADMP CN(C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001340340839 1075083562 /nfs/dbraw/zinc/08/35/62/1075083562.db2.gz QVNPRBMBBRARFJ-APWZRJJASA-N 2 1 381.521 -1.204 20 0 GAADMP CN(C(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001340340840 1075083514 /nfs/dbraw/zinc/08/35/14/1075083514.db2.gz QVNPRBMBBRARFJ-LPHOPBHVSA-N 2 1 381.521 -1.204 20 0 GAADMP CN(C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001340340841 1075083577 /nfs/dbraw/zinc/08/35/77/1075083577.db2.gz QVNPRBMBBRARFJ-QFBILLFUSA-N 2 1 381.521 -1.204 20 0 GAADMP CN(C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001340340843 1075083525 /nfs/dbraw/zinc/08/35/25/1075083525.db2.gz QVNPRBMBBRARFJ-VQIMIIECSA-N 2 1 381.521 -1.204 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001340519499 1075085439 /nfs/dbraw/zinc/08/54/39/1075085439.db2.gz RCUNLFYEAVMAAB-UHFFFAOYSA-N 2 1 396.536 -1.545 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001340519499 1075085436 /nfs/dbraw/zinc/08/54/36/1075085436.db2.gz RCUNLFYEAVMAAB-UHFFFAOYSA-N 2 1 396.536 -1.545 20 0 GAADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@H]1CN2CCN1C[C@@H]2C ZINC001342179088 1075101380 /nfs/dbraw/zinc/10/13/80/1075101380.db2.gz LHRZHFGJLYWEFO-DRRXZNNHSA-N 2 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@H]1CN2CCN1C[C@@H]2C ZINC001342179088 1075101378 /nfs/dbraw/zinc/10/13/78/1075101378.db2.gz LHRZHFGJLYWEFO-DRRXZNNHSA-N 2 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001342179088 1075101375 /nfs/dbraw/zinc/10/13/75/1075101375.db2.gz LHRZHFGJLYWEFO-DRRXZNNHSA-N 3 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001342179088 1075101373 /nfs/dbraw/zinc/10/13/73/1075101373.db2.gz LHRZHFGJLYWEFO-DRRXZNNHSA-N 3 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001342179088 1075101372 /nfs/dbraw/zinc/10/13/72/1075101372.db2.gz LHRZHFGJLYWEFO-DRRXZNNHSA-N 3 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@@H]1CN2CCN1C[C@@H]2C ZINC001342179089 1075101695 /nfs/dbraw/zinc/10/16/95/1075101695.db2.gz LHRZHFGJLYWEFO-HMDCTGQHSA-N 2 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@@H]1CN2CCN1C[C@@H]2C ZINC001342179089 1075101692 /nfs/dbraw/zinc/10/16/92/1075101692.db2.gz LHRZHFGJLYWEFO-HMDCTGQHSA-N 2 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001342179089 1075101690 /nfs/dbraw/zinc/10/16/90/1075101690.db2.gz LHRZHFGJLYWEFO-HMDCTGQHSA-N 3 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001342179089 1075101687 /nfs/dbraw/zinc/10/16/87/1075101687.db2.gz LHRZHFGJLYWEFO-HMDCTGQHSA-N 3 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001342179089 1075101684 /nfs/dbraw/zinc/10/16/84/1075101684.db2.gz LHRZHFGJLYWEFO-HMDCTGQHSA-N 3 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CCN1C[C@@H]2C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001342179092 1075101613 /nfs/dbraw/zinc/10/16/13/1075101613.db2.gz LHRZHFGJLYWEFO-NQNKBUKLSA-N 2 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CCN1C[C@@H]2C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001342179092 1075101611 /nfs/dbraw/zinc/10/16/11/1075101611.db2.gz LHRZHFGJLYWEFO-NQNKBUKLSA-N 2 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001342179092 1075101609 /nfs/dbraw/zinc/10/16/09/1075101609.db2.gz LHRZHFGJLYWEFO-NQNKBUKLSA-N 3 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001342179092 1075101607 /nfs/dbraw/zinc/10/16/07/1075101607.db2.gz LHRZHFGJLYWEFO-NQNKBUKLSA-N 3 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001342179092 1075101604 /nfs/dbraw/zinc/10/16/04/1075101604.db2.gz LHRZHFGJLYWEFO-NQNKBUKLSA-N 3 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CCN1C[C@H]2C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001342179094 1075101576 /nfs/dbraw/zinc/10/15/76/1075101576.db2.gz LHRZHFGJLYWEFO-UUAJXVIYSA-N 2 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CCN1C[C@H]2C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001342179094 1075101573 /nfs/dbraw/zinc/10/15/73/1075101573.db2.gz LHRZHFGJLYWEFO-UUAJXVIYSA-N 2 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001342179094 1075101571 /nfs/dbraw/zinc/10/15/71/1075101571.db2.gz LHRZHFGJLYWEFO-UUAJXVIYSA-N 3 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NC[C@H](C[NH3+])NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001342179094 1075101566 /nfs/dbraw/zinc/10/15/66/1075101566.db2.gz LHRZHFGJLYWEFO-UUAJXVIYSA-N 3 1 393.536 -2.677 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N[C@@H](C[NH3+])CNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001342179094 1075101564 /nfs/dbraw/zinc/10/15/64/1075101564.db2.gz LHRZHFGJLYWEFO-UUAJXVIYSA-N 3 1 393.536 -2.677 20 0 GAADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342468753 1075103241 /nfs/dbraw/zinc/10/32/41/1075103241.db2.gz KYXWIHCTRIDWBR-CVEARBPZSA-N 2 1 379.505 -1.281 20 0 GAADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342468754 1075103283 /nfs/dbraw/zinc/10/32/83/1075103283.db2.gz KYXWIHCTRIDWBR-HOTGVXAUSA-N 2 1 379.505 -1.281 20 0 GAADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342468755 1075103290 /nfs/dbraw/zinc/10/32/90/1075103290.db2.gz KYXWIHCTRIDWBR-HZPDHXFCSA-N 2 1 379.505 -1.281 20 0 GAADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001342468756 1075103265 /nfs/dbraw/zinc/10/32/65/1075103265.db2.gz KYXWIHCTRIDWBR-JKSUJKDBSA-N 2 1 379.505 -1.281 20 0 GAADMP O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CC[NH2+]CCN(C(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001342565523 1075103740 /nfs/dbraw/zinc/10/37/40/1075103740.db2.gz ZNSPNORNIUZQEL-GVLSGGHMSA-N 3 1 375.517 -1.042 20 0 GAADMP O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CC[NH2+]CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001342565525 1075103815 /nfs/dbraw/zinc/10/38/15/1075103815.db2.gz ZNSPNORNIUZQEL-LMMHAMTPSA-N 3 1 375.517 -1.042 20 0 GAADMP O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CC[NH2+]CCN(C(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)CC1 ZINC001342565527 1075103788 /nfs/dbraw/zinc/10/37/88/1075103788.db2.gz ZNSPNORNIUZQEL-ZMSHIADSSA-N 3 1 375.517 -1.042 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001342903491 1075105904 /nfs/dbraw/zinc/10/59/04/1075105904.db2.gz HXSCFQKUURLGLP-BRWVUGGUSA-N 2 1 381.521 -1.158 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001342903492 1075105981 /nfs/dbraw/zinc/10/59/81/1075105981.db2.gz HXSCFQKUURLGLP-IKGGRYGDSA-N 2 1 381.521 -1.158 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001342903493 1075105968 /nfs/dbraw/zinc/10/59/68/1075105968.db2.gz HXSCFQKUURLGLP-IXDOHACOSA-N 2 1 381.521 -1.158 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001342903494 1075105956 /nfs/dbraw/zinc/10/59/56/1075105956.db2.gz HXSCFQKUURLGLP-ZACQAIPSSA-N 2 1 381.521 -1.158 20 0 GAADMP CCN1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119014 1075108039 /nfs/dbraw/zinc/10/80/39/1075108039.db2.gz ILWFSUAOMVDLBQ-DLBZAZTESA-N 2 1 399.536 -1.408 20 0 GAADMP CCN1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119014 1075108037 /nfs/dbraw/zinc/10/80/37/1075108037.db2.gz ILWFSUAOMVDLBQ-DLBZAZTESA-N 2 1 399.536 -1.408 20 0 GAADMP CCN1CCO[C@@H](C(=O)N(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119017 1075107997 /nfs/dbraw/zinc/10/79/97/1075107997.db2.gz ILWFSUAOMVDLBQ-IAGOWNOFSA-N 2 1 399.536 -1.408 20 0 GAADMP CCN1CCO[C@@H](C(=O)N(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119017 1075107994 /nfs/dbraw/zinc/10/79/94/1075107994.db2.gz ILWFSUAOMVDLBQ-IAGOWNOFSA-N 2 1 399.536 -1.408 20 0 GAADMP CCN1CCO[C@H](C(=O)N(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119019 1075108079 /nfs/dbraw/zinc/10/80/79/1075108079.db2.gz ILWFSUAOMVDLBQ-IRXDYDNUSA-N 2 1 399.536 -1.408 20 0 GAADMP CCN1CCO[C@H](C(=O)N(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119019 1075108076 /nfs/dbraw/zinc/10/80/76/1075108076.db2.gz ILWFSUAOMVDLBQ-IRXDYDNUSA-N 2 1 399.536 -1.408 20 0 GAADMP CCN1CCO[C@H](C(=O)N(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119021 1075108101 /nfs/dbraw/zinc/10/81/01/1075108101.db2.gz ILWFSUAOMVDLBQ-SJORKVTESA-N 2 1 399.536 -1.408 20 0 GAADMP CCN1CCO[C@H](C(=O)N(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119021 1075108099 /nfs/dbraw/zinc/10/80/99/1075108099.db2.gz ILWFSUAOMVDLBQ-SJORKVTESA-N 2 1 399.536 -1.408 20 0 GAADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)C[C@H]2[NH3+])cn1 ZINC001345594519 1075131952 /nfs/dbraw/zinc/13/19/52/1075131952.db2.gz FAVLSQULAMYJLE-DLBZAZTESA-N 2 1 390.488 -1.004 20 0 GAADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC001345594980 1075132097 /nfs/dbraw/zinc/13/20/97/1075132097.db2.gz JNRNQCLAWKKSOD-DLBZAZTESA-N 2 1 391.520 -1.185 20 0 GAADMP CCN1CCO[C@H](C(=O)NCC[NH2+]CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001345798614 1075135332 /nfs/dbraw/zinc/13/53/32/1075135332.db2.gz NNCQJMCRNAESHN-HOTGVXAUSA-N 2 1 385.509 -1.750 20 0 GAADMP CCN1CCO[C@H](C(=O)NCC[NH2+]CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001345798614 1075135331 /nfs/dbraw/zinc/13/53/31/1075135331.db2.gz NNCQJMCRNAESHN-HOTGVXAUSA-N 2 1 385.509 -1.750 20 0 GAADMP CCN1CCO[C@@H](C(=O)NCC[NH2+]CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001345798615 1075135374 /nfs/dbraw/zinc/13/53/74/1075135374.db2.gz NNCQJMCRNAESHN-HZPDHXFCSA-N 2 1 385.509 -1.750 20 0 GAADMP CCN1CCO[C@@H](C(=O)NCC[NH2+]CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001345798615 1075135373 /nfs/dbraw/zinc/13/53/73/1075135373.db2.gz NNCQJMCRNAESHN-HZPDHXFCSA-N 2 1 385.509 -1.750 20 0 GAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001345945560 1075136984 /nfs/dbraw/zinc/13/69/84/1075136984.db2.gz NFOJQPKRFVMGLM-CVEARBPZSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001345945562 1075136964 /nfs/dbraw/zinc/13/69/64/1075136964.db2.gz NFOJQPKRFVMGLM-HOTGVXAUSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001345945563 1075136915 /nfs/dbraw/zinc/13/69/15/1075136915.db2.gz NFOJQPKRFVMGLM-HZPDHXFCSA-N 2 1 397.520 -1.118 20 0 GAADMP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001345945564 1075136896 /nfs/dbraw/zinc/13/68/96/1075136896.db2.gz NFOJQPKRFVMGLM-JKSUJKDBSA-N 2 1 397.520 -1.118 20 0 GAADMP O=C(CSCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001346491320 1075150334 /nfs/dbraw/zinc/15/03/34/1075150334.db2.gz JCYPVATZAKJCCT-CAOSSQGBSA-N 2 1 398.529 -1.726 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001346971481 1075157563 /nfs/dbraw/zinc/15/75/63/1075157563.db2.gz AFCSMUFXGQETOV-QBPKDAKJSA-N 2 1 378.521 -1.615 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001346971482 1075157557 /nfs/dbraw/zinc/15/75/57/1075157557.db2.gz AFCSMUFXGQETOV-VQHPVUNQSA-N 2 1 378.521 -1.615 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001346971482 1075157554 /nfs/dbraw/zinc/15/75/54/1075157554.db2.gz AFCSMUFXGQETOV-VQHPVUNQSA-N 2 1 378.521 -1.615 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)NCCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001346971482 1075157553 /nfs/dbraw/zinc/15/75/53/1075157553.db2.gz AFCSMUFXGQETOV-VQHPVUNQSA-N 2 1 378.521 -1.615 20 0 GAADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001346971483 1075157537 /nfs/dbraw/zinc/15/75/37/1075157537.db2.gz AFCSMUFXGQETOV-WNKDZCFJSA-N 2 1 378.521 -1.615 20 0 GAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001346971483 1075157532 /nfs/dbraw/zinc/15/75/32/1075157532.db2.gz AFCSMUFXGQETOV-WNKDZCFJSA-N 2 1 378.521 -1.615 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCNC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001346971483 1075157530 /nfs/dbraw/zinc/15/75/30/1075157530.db2.gz AFCSMUFXGQETOV-WNKDZCFJSA-N 2 1 378.521 -1.615 20 0 GAADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCNC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001346971484 1075157489 /nfs/dbraw/zinc/15/74/89/1075157489.db2.gz AFCSMUFXGQETOV-YYIAUSFCSA-N 2 1 378.521 -1.615 20 0 GAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCNC(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001346971484 1075157487 /nfs/dbraw/zinc/15/74/87/1075157487.db2.gz AFCSMUFXGQETOV-YYIAUSFCSA-N 2 1 378.521 -1.615 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001346971484 1075157483 /nfs/dbraw/zinc/15/74/83/1075157483.db2.gz AFCSMUFXGQETOV-YYIAUSFCSA-N 2 1 378.521 -1.615 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001347091569 1075160684 /nfs/dbraw/zinc/16/06/84/1075160684.db2.gz UHYDDDQWOSQSGA-BRSBDYLESA-N 2 1 392.548 -1.320 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001347091586 1075160581 /nfs/dbraw/zinc/16/05/81/1075160581.db2.gz UHYDDDQWOSQSGA-TVFCKZIOSA-N 2 1 392.548 -1.320 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001347091586 1075160579 /nfs/dbraw/zinc/16/05/79/1075160579.db2.gz UHYDDDQWOSQSGA-TVFCKZIOSA-N 2 1 392.548 -1.320 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N(C)CCN(C)C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001347091586 1075160577 /nfs/dbraw/zinc/16/05/77/1075160577.db2.gz UHYDDDQWOSQSGA-TVFCKZIOSA-N 2 1 392.548 -1.320 20 0 GAADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001347091590 1075160663 /nfs/dbraw/zinc/16/06/63/1075160663.db2.gz UHYDDDQWOSQSGA-USTZCAOPSA-N 2 1 392.548 -1.320 20 0 GAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001347091590 1075160662 /nfs/dbraw/zinc/16/06/62/1075160662.db2.gz UHYDDDQWOSQSGA-USTZCAOPSA-N 2 1 392.548 -1.320 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001347091590 1075160659 /nfs/dbraw/zinc/16/06/59/1075160659.db2.gz UHYDDDQWOSQSGA-USTZCAOPSA-N 2 1 392.548 -1.320 20 0 GAADMP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001347091592 1075160900 /nfs/dbraw/zinc/16/09/00/1075160900.db2.gz UHYDDDQWOSQSGA-XMTFNYHQSA-N 2 1 392.548 -1.320 20 0 GAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001347091592 1075160895 /nfs/dbraw/zinc/16/08/95/1075160895.db2.gz UHYDDDQWOSQSGA-XMTFNYHQSA-N 2 1 392.548 -1.320 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CCN(C)C(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001347091592 1075160892 /nfs/dbraw/zinc/16/08/92/1075160892.db2.gz UHYDDDQWOSQSGA-XMTFNYHQSA-N 2 1 392.548 -1.320 20 0 GAADMP CCN(CCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C)C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001347209326 1075163762 /nfs/dbraw/zinc/16/37/62/1075163762.db2.gz BATQLNPFXWPQMN-XSLAGTTESA-N 2 1 392.548 -1.272 20 0 GAADMP CCN(CCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C)C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001347209326 1075163759 /nfs/dbraw/zinc/16/37/59/1075163759.db2.gz BATQLNPFXWPQMN-XSLAGTTESA-N 2 1 392.548 -1.272 20 0 GAADMP CCN(CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)C(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001347209326 1075163757 /nfs/dbraw/zinc/16/37/57/1075163757.db2.gz BATQLNPFXWPQMN-XSLAGTTESA-N 2 1 392.548 -1.272 20 0 GAADMP CCN(CCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C)C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001347209327 1075163713 /nfs/dbraw/zinc/16/37/13/1075163713.db2.gz BATQLNPFXWPQMN-XWTMOSNGSA-N 2 1 392.548 -1.272 20 0 GAADMP CCN(CCNC(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C)C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001347209327 1075163709 /nfs/dbraw/zinc/16/37/09/1075163709.db2.gz BATQLNPFXWPQMN-XWTMOSNGSA-N 2 1 392.548 -1.272 20 0 GAADMP CCN(CCNC(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C)C(=O)[C@H]1C[NH+]2CCN1C[C@H]2C ZINC001347209327 1075163707 /nfs/dbraw/zinc/16/37/07/1075163707.db2.gz BATQLNPFXWPQMN-XWTMOSNGSA-N 2 1 392.548 -1.272 20 0 GAADMP C/C(=C\C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001347808676 1075173790 /nfs/dbraw/zinc/17/37/90/1075173790.db2.gz IZBSGFCPOIXMIH-BCIKUICKSA-N 2 1 378.473 -1.513 20 0 GAADMP C/C(=C\C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001347808676 1075173787 /nfs/dbraw/zinc/17/37/87/1075173787.db2.gz IZBSGFCPOIXMIH-BCIKUICKSA-N 2 1 378.473 -1.513 20 0 GAADMP C/C(=C\C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001347808676 1075173784 /nfs/dbraw/zinc/17/37/84/1075173784.db2.gz IZBSGFCPOIXMIH-BCIKUICKSA-N 2 1 378.473 -1.513 20 0 GAADMP C/C(=C/C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001347808680 1075173834 /nfs/dbraw/zinc/17/38/34/1075173834.db2.gz IZBSGFCPOIXMIH-ZAWNNAMKSA-N 2 1 378.473 -1.513 20 0 GAADMP C/C(=C/C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001347808680 1075173832 /nfs/dbraw/zinc/17/38/32/1075173832.db2.gz IZBSGFCPOIXMIH-ZAWNNAMKSA-N 2 1 378.473 -1.513 20 0 GAADMP C/C(=C/C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001347808680 1075173831 /nfs/dbraw/zinc/17/38/31/1075173831.db2.gz IZBSGFCPOIXMIH-ZAWNNAMKSA-N 2 1 378.473 -1.513 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001348322088 1075181208 /nfs/dbraw/zinc/18/12/08/1075181208.db2.gz UQJSYQQHBBTYJJ-DLBZAZTESA-N 2 1 381.521 -1.035 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001348322090 1075181224 /nfs/dbraw/zinc/18/12/24/1075181224.db2.gz UQJSYQQHBBTYJJ-IAGOWNOFSA-N 2 1 381.521 -1.035 20 0 GAADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001348322091 1075181236 /nfs/dbraw/zinc/18/12/36/1075181236.db2.gz UQJSYQQHBBTYJJ-IRXDYDNUSA-N 2 1 381.521 -1.035 20 0 GAADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001348322096 1075181270 /nfs/dbraw/zinc/18/12/70/1075181270.db2.gz UQJSYQQHBBTYJJ-SJORKVTESA-N 2 1 381.521 -1.035 20 0 GAADMP CN1CC[NH+](C2CCN(C(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)CC1 ZINC001348650345 1075185711 /nfs/dbraw/zinc/18/57/11/1075185711.db2.gz BKEGHBYNUOYENV-DLBZAZTESA-N 2 1 379.505 -1.498 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C[C@@H]21 ZINC001348714556 1075185986 /nfs/dbraw/zinc/18/59/86/1075185986.db2.gz MVDACQQFOFETRN-SEBNEYGDSA-N 2 1 377.445 -1.458 20 0 GAADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)C[C@@H]21 ZINC001348714558 1075185940 /nfs/dbraw/zinc/18/59/40/1075185940.db2.gz MVDACQQFOFETRN-ZSAUSMIDSA-N 2 1 377.445 -1.458 20 0 GAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3=O)C2)CC1 ZINC001349025649 1075187224 /nfs/dbraw/zinc/18/72/24/1075187224.db2.gz QBFOBFRZXWAFQJ-GXTWGEPZSA-N 2 1 379.461 -1.465 20 0 GAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3=O)C2)CC1 ZINC001349025649 1075187220 /nfs/dbraw/zinc/18/72/20/1075187220.db2.gz QBFOBFRZXWAFQJ-GXTWGEPZSA-N 2 1 379.461 -1.465 20 0 GAADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC(=O)N(C)C3=O)C2)CC1 ZINC001349025657 1075187266 /nfs/dbraw/zinc/18/72/66/1075187266.db2.gz QBFOBFRZXWAFQJ-JSGCOSHPSA-N 2 1 379.461 -1.465 20 0 GAADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC(=O)N(C)C3=O)C2)CC1 ZINC001349025657 1075187262 /nfs/dbraw/zinc/18/72/62/1075187262.db2.gz QBFOBFRZXWAFQJ-JSGCOSHPSA-N 2 1 379.461 -1.465 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCN(C)C(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001349519463 1075194551 /nfs/dbraw/zinc/19/45/51/1075194551.db2.gz ZVXDCLRRUVTWEZ-QBPKDAKJSA-N 2 1 378.521 -1.662 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001349519463 1075194549 /nfs/dbraw/zinc/19/45/49/1075194549.db2.gz ZVXDCLRRUVTWEZ-QBPKDAKJSA-N 2 1 378.521 -1.662 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001349519463 1075194547 /nfs/dbraw/zinc/19/45/47/1075194547.db2.gz ZVXDCLRRUVTWEZ-QBPKDAKJSA-N 2 1 378.521 -1.662 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001349519469 1075194566 /nfs/dbraw/zinc/19/45/66/1075194566.db2.gz ZVXDCLRRUVTWEZ-TWMKSMIVSA-N 2 1 378.521 -1.662 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001349519469 1075194563 /nfs/dbraw/zinc/19/45/63/1075194563.db2.gz ZVXDCLRRUVTWEZ-TWMKSMIVSA-N 2 1 378.521 -1.662 20 0 GAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCN(C)C(=O)[C@@H]1C[NH+]2CCN1C[C@@H]2C ZINC001349519469 1075194560 /nfs/dbraw/zinc/19/45/60/1075194560.db2.gz ZVXDCLRRUVTWEZ-TWMKSMIVSA-N 2 1 378.521 -1.662 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCN(C)C(=O)[C@@H]1C[N@H+]2CCN1C[C@H]2C ZINC001349519474 1075194540 /nfs/dbraw/zinc/19/45/40/1075194540.db2.gz ZVXDCLRRUVTWEZ-VQHPVUNQSA-N 2 1 378.521 -1.662 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCN(C)C(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001349519474 1075194538 /nfs/dbraw/zinc/19/45/38/1075194538.db2.gz ZVXDCLRRUVTWEZ-VQHPVUNQSA-N 2 1 378.521 -1.662 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@H]2C(=O)N(C)CCNC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001349519474 1075194537 /nfs/dbraw/zinc/19/45/37/1075194537.db2.gz ZVXDCLRRUVTWEZ-VQHPVUNQSA-N 2 1 378.521 -1.662 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCN(C)C(=O)[C@H]1C[N@H+]2CCN1C[C@@H]2C ZINC001349519477 1075194528 /nfs/dbraw/zinc/19/45/28/1075194528.db2.gz ZVXDCLRRUVTWEZ-YYIAUSFCSA-N 2 1 378.521 -1.662 20 0 GAADMP C[C@@H]1CN2CC[NH+]1C[C@@H]2C(=O)NCCN(C)C(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001349519477 1075194524 /nfs/dbraw/zinc/19/45/24/1075194524.db2.gz ZVXDCLRRUVTWEZ-YYIAUSFCSA-N 2 1 378.521 -1.662 20 0 GAADMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCN(C)C(=O)[C@H]1C[NH+]2CCN1C[C@@H]2C ZINC001349519477 1075194522 /nfs/dbraw/zinc/19/45/22/1075194522.db2.gz ZVXDCLRRUVTWEZ-YYIAUSFCSA-N 2 1 378.521 -1.662 20 0 GAADMP O=C(COCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001349826422 1075199082 /nfs/dbraw/zinc/19/90/82/1075199082.db2.gz QFUMSBXMICQQGC-CAOSSQGBSA-N 2 1 382.461 -2.442 20 0 GAADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001349888493 1075199749 /nfs/dbraw/zinc/19/97/49/1075199749.db2.gz IRAFBAIEBTYDLK-HZMVEIRTSA-N 2 1 380.489 -1.242 20 0 GAADMP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001349888501 1075199793 /nfs/dbraw/zinc/19/97/93/1075199793.db2.gz IRAFBAIEBTYDLK-VVLHAWIVSA-N 2 1 380.489 -1.242 20 0 GAADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001349888503 1075199824 /nfs/dbraw/zinc/19/98/24/1075199824.db2.gz IRAFBAIEBTYDLK-YLFCFFPRSA-N 2 1 380.489 -1.242 20 0 GAADMP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001349888506 1075199786 /nfs/dbraw/zinc/19/97/86/1075199786.db2.gz IRAFBAIEBTYDLK-YVSFHVDLSA-N 2 1 380.489 -1.242 20 0 GAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[N@H+]1C ZINC001349994162 1075200099 /nfs/dbraw/zinc/20/00/99/1075200099.db2.gz HGLDKHZNSREAFG-FQKPHLNHSA-N 2 1 379.461 -1.021 20 0 GAADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[N@H+]1C ZINC001349994165 1075200028 /nfs/dbraw/zinc/20/00/28/1075200028.db2.gz HGLDKHZNSREAFG-KHMAMNHCSA-N 2 1 379.461 -1.021 20 0 GAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[N@H+]1C ZINC001349994167 1075200014 /nfs/dbraw/zinc/20/00/14/1075200014.db2.gz HGLDKHZNSREAFG-QMIVOQANSA-N 2 1 379.461 -1.021 20 0 GAADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC[N@H+]1C ZINC001349994170 1075200105 /nfs/dbraw/zinc/20/01/05/1075200105.db2.gz HGLDKHZNSREAFG-RYPNDVFKSA-N 2 1 379.461 -1.021 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC001350674600 1075206462 /nfs/dbraw/zinc/20/64/62/1075206462.db2.gz OIGWICBFRVIPTK-INIZCTEOSA-N 2 1 397.520 -1.118 20 0 GAADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC001350674620 1075206452 /nfs/dbraw/zinc/20/64/52/1075206452.db2.gz OIGWICBFRVIPTK-MRXNPFEDSA-N 2 1 397.520 -1.118 20 0 GAADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC001351559735 1075215740 /nfs/dbraw/zinc/21/57/40/1075215740.db2.gz UYYFOPIQNSTPRV-UHFFFAOYSA-N 2 1 383.493 -1.283 20 0 GAADMP CN1CCN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC[N@@H+](C)CC1 ZINC001352844112 1075224696 /nfs/dbraw/zinc/22/46/96/1075224696.db2.gz GFBKSTUQVLZRLG-UHFFFAOYSA-N 2 1 390.492 -1.470 20 0 GAADMP CN1CCN(C(=O)C(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC[N@H+](C)CC1 ZINC001352844112 1075224693 /nfs/dbraw/zinc/22/46/93/1075224693.db2.gz GFBKSTUQVLZRLG-UHFFFAOYSA-N 2 1 390.492 -1.470 20 0 GAADMP O=C(CN1CC[NH2+]CC1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001352848656 1075224760 /nfs/dbraw/zinc/22/47/60/1075224760.db2.gz AXRWUISBDVNALJ-UHFFFAOYSA-N 2 1 381.521 -1.031 20 0 GAADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001353293921 1075227710 /nfs/dbraw/zinc/22/77/10/1075227710.db2.gz XCYIQRGWVOPZNA-BVUBDWEXSA-N 2 1 391.472 -1.020 20 0 GAADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001353293923 1075227784 /nfs/dbraw/zinc/22/77/84/1075227784.db2.gz XCYIQRGWVOPZNA-HNKHHVNMSA-N 2 1 391.472 -1.020 20 0 GAADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001353293925 1075227837 /nfs/dbraw/zinc/22/78/37/1075227837.db2.gz XCYIQRGWVOPZNA-MIGQKNRLSA-N 2 1 391.472 -1.020 20 0 GAADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001353293927 1075227820 /nfs/dbraw/zinc/22/78/20/1075227820.db2.gz XCYIQRGWVOPZNA-XZDPQHSOSA-N 2 1 391.472 -1.020 20 0 GAADMP CN(C(=O)[C@@H]1C[NH2+]CCN1C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001353697912 1075230077 /nfs/dbraw/zinc/23/00/77/1075230077.db2.gz AOAGQTXBESMYTD-KRWDZBQOSA-N 2 1 380.537 -1.413 20 0 GAADMP CN(C(=O)[C@H]1C[NH2+]CCN1C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001353697914 1075230095 /nfs/dbraw/zinc/23/00/95/1075230095.db2.gz AOAGQTXBESMYTD-QGZVFWFLSA-N 2 1 380.537 -1.413 20 0 GAADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001354881627 1075236122 /nfs/dbraw/zinc/23/61/22/1075236122.db2.gz XNDXXJFYQIDULV-UHFFFAOYSA-N 2 1 376.523 -1.085 20 0 GAADMP CN1CC[NH2+]C[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001357490193 1075241339 /nfs/dbraw/zinc/24/13/39/1075241339.db2.gz BVYXHSMOIQKESI-KRWDZBQOSA-N 2 1 381.521 -1.033 20 0 GAADMP CN1CC[NH2+]C[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001357490210 1075241257 /nfs/dbraw/zinc/24/12/57/1075241257.db2.gz BVYXHSMOIQKESI-QGZVFWFLSA-N 2 1 381.521 -1.033 20 0 GAADMP CCc1nnc(N2C[C@@H]3[C@@H]([NH3+])CS(=O)(=O)[C@@H]3C2)n1CC[N@@H+](C)CCOC ZINC001578305144 1075415871 /nfs/dbraw/zinc/41/58/71/1075415871.db2.gz KGIWTIUBBYZHFD-HZSPNIEDSA-N 2 1 386.522 -1.021 20 0 GAADMP CCc1nnc(N2C[C@@H]3[C@@H]([NH3+])CS(=O)(=O)[C@@H]3C2)n1CC[N@H+](C)CCOC ZINC001578305144 1075415866 /nfs/dbraw/zinc/41/58/66/1075415866.db2.gz KGIWTIUBBYZHFD-HZSPNIEDSA-N 2 1 386.522 -1.021 20 0 GAADMP CCc1nnc(N2C[C@H]3[C@H](C2)S(=O)(=O)C[C@H]3[NH3+])n1CC[N@@H+](C)CCOC ZINC001578305145 1075415896 /nfs/dbraw/zinc/41/58/96/1075415896.db2.gz KGIWTIUBBYZHFD-MCIONIFRSA-N 2 1 386.522 -1.021 20 0 GAADMP CCc1nnc(N2C[C@H]3[C@H](C2)S(=O)(=O)C[C@H]3[NH3+])n1CC[N@H+](C)CCOC ZINC001578305145 1075415889 /nfs/dbraw/zinc/41/58/89/1075415889.db2.gz KGIWTIUBBYZHFD-MCIONIFRSA-N 2 1 386.522 -1.021 20 0 GAADMP CCc1nnc(N2C[C@@H]3[C@H]([NH3+])CS(=O)(=O)[C@@H]3C2)n1CC[N@@H+](C)CCOC ZINC001578305146 1075415930 /nfs/dbraw/zinc/41/59/30/1075415930.db2.gz KGIWTIUBBYZHFD-MGPQQGTHSA-N 2 1 386.522 -1.021 20 0 GAADMP CCc1nnc(N2C[C@@H]3[C@H]([NH3+])CS(=O)(=O)[C@@H]3C2)n1CC[N@H+](C)CCOC ZINC001578305146 1075415927 /nfs/dbraw/zinc/41/59/27/1075415927.db2.gz KGIWTIUBBYZHFD-MGPQQGTHSA-N 2 1 386.522 -1.021 20 0 GAADMP CCc1nnc(N2C[C@@H]3[C@@H]([NH3+])CS(=O)(=O)[C@H]3C2)n1CC[N@@H+](C)CCOC ZINC001578305147 1075416056 /nfs/dbraw/zinc/41/60/56/1075416056.db2.gz KGIWTIUBBYZHFD-RDBSUJKOSA-N 2 1 386.522 -1.021 20 0 GAADMP CCc1nnc(N2C[C@@H]3[C@@H]([NH3+])CS(=O)(=O)[C@H]3C2)n1CC[N@H+](C)CCOC ZINC001578305147 1075416053 /nfs/dbraw/zinc/41/60/53/1075416053.db2.gz KGIWTIUBBYZHFD-RDBSUJKOSA-N 2 1 386.522 -1.021 20 0 GAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376045 1075573184 /nfs/dbraw/zinc/57/31/84/1075573184.db2.gz JTLJAZKAGZLFTK-DZGCQCFKSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376045 1075573182 /nfs/dbraw/zinc/57/31/82/1075573182.db2.gz JTLJAZKAGZLFTK-DZGCQCFKSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376046 1075572982 /nfs/dbraw/zinc/57/29/82/1075572982.db2.gz JTLJAZKAGZLFTK-HIFRSBDPSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376046 1075572977 /nfs/dbraw/zinc/57/29/77/1075572977.db2.gz JTLJAZKAGZLFTK-HIFRSBDPSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376047 1075573194 /nfs/dbraw/zinc/57/31/94/1075573194.db2.gz JTLJAZKAGZLFTK-UKRRQHHQSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376047 1075573191 /nfs/dbraw/zinc/57/31/91/1075573191.db2.gz JTLJAZKAGZLFTK-UKRRQHHQSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376048 1075572936 /nfs/dbraw/zinc/57/29/36/1075572936.db2.gz JTLJAZKAGZLFTK-ZFWWWQNUSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376048 1075572930 /nfs/dbraw/zinc/57/29/30/1075572930.db2.gz JTLJAZKAGZLFTK-ZFWWWQNUSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376073 1075573010 /nfs/dbraw/zinc/57/30/10/1075573010.db2.gz KEJVEMBINVWGHM-DZGCQCFKSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376073 1075573006 /nfs/dbraw/zinc/57/30/06/1075573006.db2.gz KEJVEMBINVWGHM-DZGCQCFKSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376074 1075573171 /nfs/dbraw/zinc/57/31/71/1075573171.db2.gz KEJVEMBINVWGHM-HIFRSBDPSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376074 1075573168 /nfs/dbraw/zinc/57/31/68/1075573168.db2.gz KEJVEMBINVWGHM-HIFRSBDPSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376075 1075573106 /nfs/dbraw/zinc/57/31/06/1075573106.db2.gz KEJVEMBINVWGHM-UKRRQHHQSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376075 1075573100 /nfs/dbraw/zinc/57/31/00/1075573100.db2.gz KEJVEMBINVWGHM-UKRRQHHQSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376076 1075573593 /nfs/dbraw/zinc/57/35/93/1075573593.db2.gz KEJVEMBINVWGHM-ZFWWWQNUSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001579376076 1075573587 /nfs/dbraw/zinc/57/35/87/1075573587.db2.gz KEJVEMBINVWGHM-ZFWWWQNUSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376255 1075574175 /nfs/dbraw/zinc/57/41/75/1075574175.db2.gz NNLAFFNZDVIPLV-CABCVRRESA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376255 1075574170 /nfs/dbraw/zinc/57/41/70/1075574170.db2.gz NNLAFFNZDVIPLV-CABCVRRESA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376256 1075574012 /nfs/dbraw/zinc/57/40/12/1075574012.db2.gz NNLAFFNZDVIPLV-GJZGRUSLSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376256 1075574010 /nfs/dbraw/zinc/57/40/10/1075574010.db2.gz NNLAFFNZDVIPLV-GJZGRUSLSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376257 1075574062 /nfs/dbraw/zinc/57/40/62/1075574062.db2.gz NNLAFFNZDVIPLV-HUUCEWRRSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376257 1075574059 /nfs/dbraw/zinc/57/40/59/1075574059.db2.gz NNLAFFNZDVIPLV-HUUCEWRRSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376258 1075574040 /nfs/dbraw/zinc/57/40/40/1075574040.db2.gz NNLAFFNZDVIPLV-LSDHHAIUSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376258 1075574039 /nfs/dbraw/zinc/57/40/39/1075574039.db2.gz NNLAFFNZDVIPLV-LSDHHAIUSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376965 1075575540 /nfs/dbraw/zinc/57/55/40/1075575540.db2.gz ZEAMENVMMNQZIY-CABCVRRESA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376965 1075575537 /nfs/dbraw/zinc/57/55/37/1075575537.db2.gz ZEAMENVMMNQZIY-CABCVRRESA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376966 1075575856 /nfs/dbraw/zinc/57/58/56/1075575856.db2.gz ZEAMENVMMNQZIY-GJZGRUSLSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376966 1075575851 /nfs/dbraw/zinc/57/58/51/1075575851.db2.gz ZEAMENVMMNQZIY-GJZGRUSLSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376967 1075575582 /nfs/dbraw/zinc/57/55/82/1075575582.db2.gz ZEAMENVMMNQZIY-HUUCEWRRSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376967 1075575580 /nfs/dbraw/zinc/57/55/80/1075575580.db2.gz ZEAMENVMMNQZIY-HUUCEWRRSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376968 1075575774 /nfs/dbraw/zinc/57/57/74/1075575774.db2.gz ZEAMENVMMNQZIY-LSDHHAIUSA-N 2 1 375.433 -1.236 20 0 GAADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376968 1075575770 /nfs/dbraw/zinc/57/57/70/1075575770.db2.gz ZEAMENVMMNQZIY-LSDHHAIUSA-N 2 1 375.433 -1.236 20 0 GAADMP CN1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001579378834 1075579802 /nfs/dbraw/zinc/57/98/02/1075579802.db2.gz OWPVENONECDMLS-BZUAXINKSA-N 2 1 387.444 -1.141 20 0 GAADMP C[NH+](C)C[C@@H]1CN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)C[C@H]1C[NH+](C)C ZINC001604690446 1076308811 /nfs/dbraw/zinc/30/88/11/1076308811.db2.gz XJULSPVJNSIVNX-CHWSQXEVSA-N 2 1 391.484 -1.161 20 0 GAADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001656404368 1076544961 /nfs/dbraw/zinc/54/49/61/1076544961.db2.gz HVNHTACPBMIFBL-REBRKWNGSA-N 2 1 391.476 -1.161 20 0 GAADMP