smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000044138501 637359984 /nfs/dbraw/zinc/35/99/84/637359984.db2.gz VWVXCKIQWOBAGI-UHFFFAOYSA-N 2 2 378.568 -1.468 20 0 GAADLP C[NH+](C)CCCNC(=S)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000044138571 637359956 /nfs/dbraw/zinc/35/99/56/637359956.db2.gz ROIBSNBZKVGFNU-UHFFFAOYSA-N 2 2 392.595 -1.078 20 0 GAADLP CNC(=O)NC(=O)CC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768635 530101509 /nfs/dbraw/zinc/10/15/09/530101509.db2.gz AHZLGQOKXSJRRO-UHFFFAOYSA-N 2 2 376.483 -2.058 20 0 GAADLP NC(=O)CN1CC[NH+](Cc2ccc(C[NH+]3CCN(CC(N)=O)CC3)cc2)CC1 ZINC000107676783 1075490860 /nfs/dbraw/zinc/49/08/60/1075490860.db2.gz HIGAVLDKQYNZMK-UHFFFAOYSA-N 2 2 388.516 -1.108 20 0 GAADLP O=C(CC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[NH2+]CC1 ZINC000262083355 530110993 /nfs/dbraw/zinc/11/09/93/530110993.db2.gz KXSHOURTAJBRLV-UHFFFAOYSA-N 2 2 375.495 -1.997 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000262194988 530111204 /nfs/dbraw/zinc/11/12/04/530111204.db2.gz MKVUUGMFXPGBFP-AWEZNQCLSA-N 2 2 375.495 -1.999 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000262194995 530110919 /nfs/dbraw/zinc/11/09/19/530110919.db2.gz MKVUUGMFXPGBFP-CQSZACIVSA-N 2 2 375.495 -1.999 20 0 GAADLP C[NH2+][C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cnn(C)c1 ZINC000262257096 1073999498 /nfs/dbraw/zinc/99/94/98/1073999498.db2.gz TYOYGBZCNOSGPV-HNNXBMFYSA-N 2 2 399.521 -1.683 20 0 GAADLP C[NH2+][C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cnn(C)c1 ZINC000262257099 1073999584 /nfs/dbraw/zinc/99/95/84/1073999584.db2.gz TYOYGBZCNOSGPV-OAHLLOKOSA-N 2 2 399.521 -1.683 20 0 GAADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000262541928 1074642253 /nfs/dbraw/zinc/64/22/53/1074642253.db2.gz HCCCJQYRLZZFDR-CVEARBPZSA-N 2 2 395.504 -1.519 20 0 GAADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000262541929 1074642233 /nfs/dbraw/zinc/64/22/33/1074642233.db2.gz HCCCJQYRLZZFDR-HOTGVXAUSA-N 2 2 395.504 -1.519 20 0 GAADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000262541930 1074642324 /nfs/dbraw/zinc/64/23/24/1074642324.db2.gz HCCCJQYRLZZFDR-HZPDHXFCSA-N 2 2 395.504 -1.519 20 0 GAADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000262541931 1074642246 /nfs/dbraw/zinc/64/22/46/1074642246.db2.gz HCCCJQYRLZZFDR-JKSUJKDBSA-N 2 2 395.504 -1.519 20 0 GAADLP COC1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]CC1 ZINC000262636782 1074649959 /nfs/dbraw/zinc/64/99/59/1074649959.db2.gz OTWIECFAECQCNV-UHFFFAOYSA-N 2 2 389.522 -1.609 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)CC1 ZINC000262753143 530148810 /nfs/dbraw/zinc/14/88/10/530148810.db2.gz HAELEJNJNOCYEL-AWEZNQCLSA-N 2 2 391.563 -1.282 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)CC1 ZINC000262753156 530148751 /nfs/dbraw/zinc/14/87/51/530148751.db2.gz HAELEJNJNOCYEL-CQSZACIVSA-N 2 2 391.563 -1.282 20 0 GAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2[C@@H](CO)CC[C@@H]2CO)CC1 ZINC000287182843 1075574879 /nfs/dbraw/zinc/57/48/79/1075574879.db2.gz COFZMOMZZYZDNI-ZIAGYGMSSA-N 2 2 389.460 -1.171 20 0 GAADLP Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1)c(=O)n2C ZINC000297710891 1075600921 /nfs/dbraw/zinc/60/09/21/1075600921.db2.gz BIDDUDMETSWRQB-UHFFFAOYSA-N 2 2 391.476 -1.470 20 0 GAADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000328703058 1074175666 /nfs/dbraw/zinc/17/56/66/1074175666.db2.gz XQFXBTIIFVCULJ-UHFFFAOYSA-N 2 2 379.461 -1.556 20 0 GAADLP CN(C(=O)Cn1cccnc1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329109379 1074001191 /nfs/dbraw/zinc/00/11/91/1074001191.db2.gz FWISWVRMLHJYLP-UHFFFAOYSA-N 2 2 390.488 -1.060 20 0 GAADLP CN(C(=O)Cn1ncn(C)c1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329456402 1074217818 /nfs/dbraw/zinc/21/78/18/1074217818.db2.gz QFPWGKNRKXCKRR-UHFFFAOYSA-N 2 2 393.492 -1.721 20 0 GAADLP CN(C(=O)CN1CCOCC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000329871865 1074220415 /nfs/dbraw/zinc/22/04/15/1074220415.db2.gz CRYFHEJXBXTASJ-UHFFFAOYSA-N 2 2 395.504 -1.458 20 0 GAADLP CC(C[NH+]1CC[C@H](NS(C)(=O)=O)C1)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000330833622 530100552 /nfs/dbraw/zinc/10/05/52/530100552.db2.gz QVODZVSIPXJFKP-KBPBESRZSA-N 2 2 382.552 -1.131 20 0 GAADLP CC(C[NH+]1CC[C@H](NS(C)(=O)=O)C1)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000330833622 530100551 /nfs/dbraw/zinc/10/05/51/530100551.db2.gz QVODZVSIPXJFKP-KBPBESRZSA-N 2 2 382.552 -1.131 20 0 GAADLP CC(C[NH+]1CC[C@@H](NS(C)(=O)=O)C1)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000330833623 530100428 /nfs/dbraw/zinc/10/04/28/530100428.db2.gz QVODZVSIPXJFKP-ZIAGYGMSSA-N 2 2 382.552 -1.131 20 0 GAADLP CC(C[NH+]1CC[C@@H](NS(C)(=O)=O)C1)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000330833623 530100427 /nfs/dbraw/zinc/10/04/27/530100427.db2.gz QVODZVSIPXJFKP-ZIAGYGMSSA-N 2 2 382.552 -1.131 20 0 GAADLP C[C@@H](C[NH+]1CC[C@H](NS(C)(=O)=O)C1)C[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000330833624 530100343 /nfs/dbraw/zinc/10/03/43/530100343.db2.gz QVODZVSIPXJFKP-ZSOGYDGISA-N 2 2 382.552 -1.131 20 0 GAADLP C[C@@H](C[NH+]1CC[C@H](NS(C)(=O)=O)C1)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000330833624 530100342 /nfs/dbraw/zinc/10/03/42/530100342.db2.gz QVODZVSIPXJFKP-ZSOGYDGISA-N 2 2 382.552 -1.131 20 0 GAADLP C[C@H](C[NH+]1CC[C@@H](NS(C)(=O)=O)C1)C[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000330833624 530100341 /nfs/dbraw/zinc/10/03/41/530100341.db2.gz QVODZVSIPXJFKP-ZSOGYDGISA-N 2 2 382.552 -1.131 20 0 GAADLP C[C@H](C[NH+]1CC[C@@H](NS(C)(=O)=O)C1)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000330833624 530100340 /nfs/dbraw/zinc/10/03/40/530100340.db2.gz QVODZVSIPXJFKP-ZSOGYDGISA-N 2 2 382.552 -1.131 20 0 GAADLP CNS(=O)(=O)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000331232104 1074181128 /nfs/dbraw/zinc/18/11/28/1074181128.db2.gz IPYMHEMXNZYVLJ-UHFFFAOYSA-N 2 2 389.522 -1.768 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000331795387 1075499816 /nfs/dbraw/zinc/49/98/16/1075499816.db2.gz LADDAYCHGNTXMT-HOTGVXAUSA-N 2 2 395.504 -1.818 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000331795391 1075499825 /nfs/dbraw/zinc/49/98/25/1075499825.db2.gz LADDAYCHGNTXMT-JKSUJKDBSA-N 2 2 395.504 -1.818 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000332444362 1075504123 /nfs/dbraw/zinc/50/41/23/1075504123.db2.gz KDZPMYHKYZOLAU-CVEARBPZSA-N 2 2 395.504 -1.724 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000332444362 1075504118 /nfs/dbraw/zinc/50/41/18/1075504118.db2.gz KDZPMYHKYZOLAU-CVEARBPZSA-N 2 2 395.504 -1.724 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000332444367 1075504063 /nfs/dbraw/zinc/50/40/63/1075504063.db2.gz KDZPMYHKYZOLAU-HZPDHXFCSA-N 2 2 395.504 -1.724 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000332444367 1075504060 /nfs/dbraw/zinc/50/40/60/1075504060.db2.gz KDZPMYHKYZOLAU-HZPDHXFCSA-N 2 2 395.504 -1.724 20 0 GAADLP CN(C(=O)CN1CN=NC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000333062400 1075507565 /nfs/dbraw/zinc/50/75/65/1075507565.db2.gz NHHXCLJCWPQZFH-UHFFFAOYSA-N 2 2 379.465 -1.320 20 0 GAADLP CN(C)c1[nH+]cc(CNC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)n1C ZINC000333428530 1073998965 /nfs/dbraw/zinc/99/89/65/1073998965.db2.gz UHXYAZXMJDLCDT-UHFFFAOYSA-N 2 2 385.494 -1.385 20 0 GAADLP O=C(NCC[NH+]1CCSCC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333464515 530102949 /nfs/dbraw/zinc/10/29/49/530102949.db2.gz ZSSMFJGVADEDFU-UHFFFAOYSA-N 2 2 377.536 -1.336 20 0 GAADLP C[C@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000333582290 530095776 /nfs/dbraw/zinc/09/57/76/530095776.db2.gz ACHPDAJSUWQHFK-CYBMUJFWSA-N 2 2 375.495 -1.664 20 0 GAADLP C[C@@H](CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000333582294 530095823 /nfs/dbraw/zinc/09/58/23/530095823.db2.gz ACHPDAJSUWQHFK-ZDUSSCGKSA-N 2 2 375.495 -1.664 20 0 GAADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000333638327 1075513492 /nfs/dbraw/zinc/51/34/92/1075513492.db2.gz HTKIFCWDYJJQBB-CABCVRRESA-N 2 2 388.538 -1.196 20 0 GAADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000333638329 1075513535 /nfs/dbraw/zinc/51/35/35/1075513535.db2.gz HTKIFCWDYJJQBB-GJZGRUSLSA-N 2 2 388.538 -1.196 20 0 GAADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000333638331 1075513501 /nfs/dbraw/zinc/51/35/01/1075513501.db2.gz HTKIFCWDYJJQBB-HUUCEWRRSA-N 2 2 388.538 -1.196 20 0 GAADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000333638333 1075513590 /nfs/dbraw/zinc/51/35/90/1075513590.db2.gz HTKIFCWDYJJQBB-LSDHHAIUSA-N 2 2 388.538 -1.196 20 0 GAADLP O=C(NCC[N@H+]1CCCOCC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333681329 530102819 /nfs/dbraw/zinc/10/28/19/530102819.db2.gz ZSENOPTXRWZOSW-UHFFFAOYSA-N 2 2 375.495 -1.663 20 0 GAADLP O=C(NCC[N@@H+]1CCCOCC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333681329 530102818 /nfs/dbraw/zinc/10/28/18/530102818.db2.gz ZSENOPTXRWZOSW-UHFFFAOYSA-N 2 2 375.495 -1.663 20 0 GAADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000333721100 1074114352 /nfs/dbraw/zinc/11/43/52/1074114352.db2.gz UQJZWFFDJLLCAW-CABCVRRESA-N 2 2 388.538 -1.054 20 0 GAADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000333721101 1074114502 /nfs/dbraw/zinc/11/45/02/1074114502.db2.gz UQJZWFFDJLLCAW-GJZGRUSLSA-N 2 2 388.538 -1.054 20 0 GAADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000333721102 1074114261 /nfs/dbraw/zinc/11/42/61/1074114261.db2.gz UQJZWFFDJLLCAW-HUUCEWRRSA-N 2 2 388.538 -1.054 20 0 GAADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000333721103 1074114429 /nfs/dbraw/zinc/11/44/29/1074114429.db2.gz UQJZWFFDJLLCAW-LSDHHAIUSA-N 2 2 388.538 -1.054 20 0 GAADLP C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC000333766980 1075513883 /nfs/dbraw/zinc/51/38/83/1075513883.db2.gz BKUYPBJUFRXLNE-CABCVRRESA-N 2 2 388.538 -1.054 20 0 GAADLP C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC000333766981 1075513825 /nfs/dbraw/zinc/51/38/25/1075513825.db2.gz BKUYPBJUFRXLNE-GJZGRUSLSA-N 2 2 388.538 -1.054 20 0 GAADLP C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC000333766982 1075513865 /nfs/dbraw/zinc/51/38/65/1075513865.db2.gz BKUYPBJUFRXLNE-HUUCEWRRSA-N 2 2 388.538 -1.054 20 0 GAADLP C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]1 ZINC000333766983 1075513875 /nfs/dbraw/zinc/51/38/75/1075513875.db2.gz BKUYPBJUFRXLNE-LSDHHAIUSA-N 2 2 388.538 -1.054 20 0 GAADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333851041 530102711 /nfs/dbraw/zinc/10/27/11/530102711.db2.gz XFGNTBDVPDSLPN-CYBMUJFWSA-N 2 2 375.495 -1.664 20 0 GAADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000333851044 530102753 /nfs/dbraw/zinc/10/27/53/530102753.db2.gz XFGNTBDVPDSLPN-ZDUSSCGKSA-N 2 2 375.495 -1.664 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333952246 1075514535 /nfs/dbraw/zinc/51/45/35/1075514535.db2.gz ZUEITNBGDJMAAM-HNNXBMFYSA-N 2 2 380.493 -1.244 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333952247 1075514512 /nfs/dbraw/zinc/51/45/12/1075514512.db2.gz ZUEITNBGDJMAAM-OAHLLOKOSA-N 2 2 380.493 -1.244 20 0 GAADLP CC[N@H+]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000334135332 1075514947 /nfs/dbraw/zinc/51/49/47/1075514947.db2.gz XXTSQSHMJUPEJE-HNNXBMFYSA-N 2 2 388.538 -1.100 20 0 GAADLP CC[N@@H+]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000334135332 1075514942 /nfs/dbraw/zinc/51/49/42/1075514942.db2.gz XXTSQSHMJUPEJE-HNNXBMFYSA-N 2 2 388.538 -1.100 20 0 GAADLP CC[N@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000334135333 1075514985 /nfs/dbraw/zinc/51/49/85/1075514985.db2.gz XXTSQSHMJUPEJE-OAHLLOKOSA-N 2 2 388.538 -1.100 20 0 GAADLP CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000334135333 1075514981 /nfs/dbraw/zinc/51/49/81/1075514981.db2.gz XXTSQSHMJUPEJE-OAHLLOKOSA-N 2 2 388.538 -1.100 20 0 GAADLP O=S(=O)(CCCS(=O)(=O)N1CC[NH+](CCO)CC1)Nc1cc[nH+]cc1 ZINC000349541859 530108815 /nfs/dbraw/zinc/10/88/15/530108815.db2.gz WSLJBZLKFOUBJW-UHFFFAOYSA-N 2 2 392.503 -1.425 20 0 GAADLP C[N@H+]1CC[C@](O)(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349557815 530165444 /nfs/dbraw/zinc/16/54/44/530165444.db2.gz QSEYNABXJXGEIG-AWEZNQCLSA-N 2 2 392.503 -1.379 20 0 GAADLP C[N@@H+]1CC[C@](O)(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349557815 530165439 /nfs/dbraw/zinc/16/54/39/530165439.db2.gz QSEYNABXJXGEIG-AWEZNQCLSA-N 2 2 392.503 -1.379 20 0 GAADLP C[N@H+]1CC[C@@](O)(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349557817 530165723 /nfs/dbraw/zinc/16/57/23/530165723.db2.gz QSEYNABXJXGEIG-CQSZACIVSA-N 2 2 392.503 -1.379 20 0 GAADLP C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)CCCS(=O)(=O)Nc2cc[nH+]cc2)C1 ZINC000349557817 530165722 /nfs/dbraw/zinc/16/57/22/530165722.db2.gz QSEYNABXJXGEIG-CQSZACIVSA-N 2 2 392.503 -1.379 20 0 GAADLP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000363187814 1075595173 /nfs/dbraw/zinc/59/51/73/1075595173.db2.gz SKWROUMTTRZGSZ-KRWDZBQOSA-N 2 2 381.521 -1.127 20 0 GAADLP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000363187815 1075595262 /nfs/dbraw/zinc/59/52/62/1075595262.db2.gz SKWROUMTTRZGSZ-QGZVFWFLSA-N 2 2 381.521 -1.127 20 0 GAADLP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000363192331 1075595296 /nfs/dbraw/zinc/59/52/96/1075595296.db2.gz CPAVTAQXWHIVGZ-HNNXBMFYSA-N 2 2 378.477 -0.436 20 0 GAADLP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC000363192333 1075595682 /nfs/dbraw/zinc/59/56/82/1075595682.db2.gz CPAVTAQXWHIVGZ-OAHLLOKOSA-N 2 2 378.477 -0.436 20 0 GAADLP Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363616418 1075597684 /nfs/dbraw/zinc/59/76/84/1075597684.db2.gz HGXJUCNIODLVRR-CYBMUJFWSA-N 2 2 384.506 -1.017 20 0 GAADLP Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363616418 1075597675 /nfs/dbraw/zinc/59/76/75/1075597675.db2.gz HGXJUCNIODLVRR-CYBMUJFWSA-N 2 2 384.506 -1.017 20 0 GAADLP Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363616419 1075597812 /nfs/dbraw/zinc/59/78/12/1075597812.db2.gz HGXJUCNIODLVRR-ZDUSSCGKSA-N 2 2 384.506 -1.017 20 0 GAADLP Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000363616419 1075597810 /nfs/dbraw/zinc/59/78/10/1075597810.db2.gz HGXJUCNIODLVRR-ZDUSSCGKSA-N 2 2 384.506 -1.017 20 0 GAADLP 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 ZINC000364451664 1075599511 /nfs/dbraw/zinc/59/95/11/1075599511.db2.gz YLAUQXGWBWRWGW-IYBDPMFKSA-N 2 2 392.500 -1.429 20 0 GAADLP 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 ZINC000364451664 1075599508 /nfs/dbraw/zinc/59/95/08/1075599508.db2.gz YLAUQXGWBWRWGW-IYBDPMFKSA-N 2 2 392.500 -1.429 20 0 GAADLP 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 ZINC000364451664 1075599506 /nfs/dbraw/zinc/59/95/06/1075599506.db2.gz YLAUQXGWBWRWGW-IYBDPMFKSA-N 2 2 392.500 -1.429 20 0 GAADLP 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 ZINC000364451664 1075599504 /nfs/dbraw/zinc/59/95/04/1075599504.db2.gz YLAUQXGWBWRWGW-IYBDPMFKSA-N 2 2 392.500 -1.429 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](COC)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000364839056 1075604249 /nfs/dbraw/zinc/60/42/49/1075604249.db2.gz BEUPZEIHYZKJGE-HRCADAONSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](COC)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000364839056 1075604247 /nfs/dbraw/zinc/60/42/47/1075604247.db2.gz BEUPZEIHYZKJGE-HRCADAONSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)COC)C1 ZINC000364839056 1075604245 /nfs/dbraw/zinc/60/42/45/1075604245.db2.gz BEUPZEIHYZKJGE-HRCADAONSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)COC)C1 ZINC000364839056 1075604243 /nfs/dbraw/zinc/60/42/43/1075604243.db2.gz BEUPZEIHYZKJGE-HRCADAONSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](COC)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000364839062 1075604204 /nfs/dbraw/zinc/60/42/04/1075604204.db2.gz BEUPZEIHYZKJGE-JYJNAYRXSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](COC)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000364839062 1075604202 /nfs/dbraw/zinc/60/42/02/1075604202.db2.gz BEUPZEIHYZKJGE-JYJNAYRXSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)COC)C1 ZINC000364839062 1075604200 /nfs/dbraw/zinc/60/42/00/1075604200.db2.gz BEUPZEIHYZKJGE-JYJNAYRXSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)COC)C1 ZINC000364839062 1075604198 /nfs/dbraw/zinc/60/41/98/1075604198.db2.gz BEUPZEIHYZKJGE-JYJNAYRXSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](COC)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000364839063 1075604293 /nfs/dbraw/zinc/60/42/93/1075604293.db2.gz BEUPZEIHYZKJGE-OWCLPIDISA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](COC)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000364839063 1075604290 /nfs/dbraw/zinc/60/42/90/1075604290.db2.gz BEUPZEIHYZKJGE-OWCLPIDISA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)COC)C1 ZINC000364839063 1075604286 /nfs/dbraw/zinc/60/42/86/1075604286.db2.gz BEUPZEIHYZKJGE-OWCLPIDISA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)COC)C1 ZINC000364839063 1075604283 /nfs/dbraw/zinc/60/42/83/1075604283.db2.gz BEUPZEIHYZKJGE-OWCLPIDISA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](COC)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000364839065 1075604350 /nfs/dbraw/zinc/60/43/50/1075604350.db2.gz BEUPZEIHYZKJGE-PMPSAXMXSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](COC)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000364839065 1075604345 /nfs/dbraw/zinc/60/43/45/1075604345.db2.gz BEUPZEIHYZKJGE-PMPSAXMXSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)COC)C1 ZINC000364839065 1075604340 /nfs/dbraw/zinc/60/43/40/1075604340.db2.gz BEUPZEIHYZKJGE-PMPSAXMXSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)COC)C1 ZINC000364839065 1075604325 /nfs/dbraw/zinc/60/43/25/1075604325.db2.gz BEUPZEIHYZKJGE-PMPSAXMXSA-N 2 2 386.493 -1.325 20 0 GAADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000364856327 637491505 /nfs/dbraw/zinc/49/15/05/637491505.db2.gz XVKGYTDTQFYKKG-UONOGXRCSA-N 2 2 375.495 -2.000 20 0 GAADLP NS(=O)(=O)N1CCC[NH+](CCC[N@@H+]2CCCN(S(N)(=O)=O)CC2)CC1 ZINC000365384501 530091324 /nfs/dbraw/zinc/09/13/24/530091324.db2.gz AIEMUNDDBGLZHM-UHFFFAOYSA-N 2 2 398.555 -2.201 20 0 GAADLP NS(=O)(=O)N1CCC[NH+](CCC[N@H+]2CCCN(S(N)(=O)=O)CC2)CC1 ZINC000365384501 530091321 /nfs/dbraw/zinc/09/13/21/530091321.db2.gz AIEMUNDDBGLZHM-UHFFFAOYSA-N 2 2 398.555 -2.201 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000366948267 530101043 /nfs/dbraw/zinc/10/10/43/530101043.db2.gz RTHRVHRWPOCBEP-ISANGGDFSA-N 2 2 380.536 -1.210 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000366948267 530101041 /nfs/dbraw/zinc/10/10/41/530101041.db2.gz RTHRVHRWPOCBEP-ISANGGDFSA-N 2 2 380.536 -1.210 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000366948267 530101039 /nfs/dbraw/zinc/10/10/39/530101039.db2.gz RTHRVHRWPOCBEP-ISANGGDFSA-N 2 2 380.536 -1.210 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000366948267 530101037 /nfs/dbraw/zinc/10/10/37/530101037.db2.gz RTHRVHRWPOCBEP-ISANGGDFSA-N 2 2 380.536 -1.210 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000366948268 530100926 /nfs/dbraw/zinc/10/09/26/530100926.db2.gz RTHRVHRWPOCBEP-LSMGEYOZSA-N 2 2 380.536 -1.210 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000366948268 530100923 /nfs/dbraw/zinc/10/09/23/530100923.db2.gz RTHRVHRWPOCBEP-LSMGEYOZSA-N 2 2 380.536 -1.210 20 0 GAADLP CNS(=O)(=O)[C@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000366948269 530100786 /nfs/dbraw/zinc/10/07/86/530100786.db2.gz RTHRVHRWPOCBEP-NVFZZLLCSA-N 2 2 380.536 -1.210 20 0 GAADLP CNS(=O)(=O)[C@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000366948269 530100784 /nfs/dbraw/zinc/10/07/84/530100784.db2.gz RTHRVHRWPOCBEP-NVFZZLLCSA-N 2 2 380.536 -1.210 20 0 GAADLP CC(C)Nc1nc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)nc(NCCO)[nH+]1 ZINC000367325288 1075621879 /nfs/dbraw/zinc/62/18/79/1075621879.db2.gz BUCDWAZBCVXRML-AWEZNQCLSA-N 2 2 392.508 -1.142 20 0 GAADLP CC(C)Nc1nc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)nc(NCCO)[nH+]1 ZINC000367325288 1075621876 /nfs/dbraw/zinc/62/18/76/1075621876.db2.gz BUCDWAZBCVXRML-AWEZNQCLSA-N 2 2 392.508 -1.142 20 0 GAADLP CC(C)Nc1nc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)nc(NCCO)[nH+]1 ZINC000367325289 1075621755 /nfs/dbraw/zinc/62/17/55/1075621755.db2.gz BUCDWAZBCVXRML-CQSZACIVSA-N 2 2 392.508 -1.142 20 0 GAADLP CC(C)Nc1nc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)nc(NCCO)[nH+]1 ZINC000367325289 1075621743 /nfs/dbraw/zinc/62/17/43/1075621743.db2.gz BUCDWAZBCVXRML-CQSZACIVSA-N 2 2 392.508 -1.142 20 0 GAADLP CC[NH+]1CCN(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000369053941 1075626042 /nfs/dbraw/zinc/62/60/42/1075626042.db2.gz GNPMKYNIYQAPFQ-KRWDZBQOSA-N 2 2 381.521 -1.079 20 0 GAADLP CC[NH+]1CCN(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000369053942 1075625965 /nfs/dbraw/zinc/62/59/65/1075625965.db2.gz GNPMKYNIYQAPFQ-QGZVFWFLSA-N 2 2 381.521 -1.079 20 0 GAADLP C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000369937551 1075629763 /nfs/dbraw/zinc/62/97/63/1075629763.db2.gz VBUVLKVQTNDSNI-CVEARBPZSA-N 2 2 395.504 -1.554 20 0 GAADLP C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000369937552 1075629669 /nfs/dbraw/zinc/62/96/69/1075629669.db2.gz VBUVLKVQTNDSNI-HOTGVXAUSA-N 2 2 395.504 -1.554 20 0 GAADLP C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000369937553 1075629654 /nfs/dbraw/zinc/62/96/54/1075629654.db2.gz VBUVLKVQTNDSNI-HZPDHXFCSA-N 2 2 395.504 -1.554 20 0 GAADLP C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000369937554 1075629806 /nfs/dbraw/zinc/62/98/06/1075629806.db2.gz VBUVLKVQTNDSNI-JKSUJKDBSA-N 2 2 395.504 -1.554 20 0 GAADLP CNS(=O)(=O)[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372731900 530105824 /nfs/dbraw/zinc/10/58/24/530105824.db2.gz YWYOHRDVHMJFOI-KBPBESRZSA-N 2 2 398.551 -1.750 20 0 GAADLP CNS(=O)(=O)[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372731900 530105822 /nfs/dbraw/zinc/10/58/22/530105822.db2.gz YWYOHRDVHMJFOI-KBPBESRZSA-N 2 2 398.551 -1.750 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372731901 530105853 /nfs/dbraw/zinc/10/58/53/530105853.db2.gz YWYOHRDVHMJFOI-OKILXGFUSA-N 2 2 398.551 -1.750 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372731901 530105852 /nfs/dbraw/zinc/10/58/52/530105852.db2.gz YWYOHRDVHMJFOI-OKILXGFUSA-N 2 2 398.551 -1.750 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372731901 530105851 /nfs/dbraw/zinc/10/58/51/530105851.db2.gz YWYOHRDVHMJFOI-OKILXGFUSA-N 2 2 398.551 -1.750 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000372731901 530105850 /nfs/dbraw/zinc/10/58/50/530105850.db2.gz YWYOHRDVHMJFOI-OKILXGFUSA-N 2 2 398.551 -1.750 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372731902 530105918 /nfs/dbraw/zinc/10/59/18/530105918.db2.gz YWYOHRDVHMJFOI-ZIAGYGMSSA-N 2 2 398.551 -1.750 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000372731902 530105917 /nfs/dbraw/zinc/10/59/17/530105917.db2.gz YWYOHRDVHMJFOI-ZIAGYGMSSA-N 2 2 398.551 -1.750 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000410480370 1075645836 /nfs/dbraw/zinc/64/58/36/1075645836.db2.gz AFLYDUVQVRRLCA-INIZCTEOSA-N 2 2 395.504 -1.722 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000410480372 1075645842 /nfs/dbraw/zinc/64/58/42/1075645842.db2.gz AFLYDUVQVRRLCA-MRXNPFEDSA-N 2 2 395.504 -1.722 20 0 GAADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000410481389 1075645401 /nfs/dbraw/zinc/64/54/01/1075645401.db2.gz FKIJDWKTTMMLMF-INIZCTEOSA-N 2 2 397.520 -1.476 20 0 GAADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000410481390 1075645359 /nfs/dbraw/zinc/64/53/59/1075645359.db2.gz FKIJDWKTTMMLMF-MRXNPFEDSA-N 2 2 397.520 -1.476 20 0 GAADLP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000410503506 1075647562 /nfs/dbraw/zinc/64/75/62/1075647562.db2.gz NLMZKXTVSAUYKG-UHFFFAOYSA-N 2 2 385.509 -1.355 20 0 GAADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000410728084 1075652373 /nfs/dbraw/zinc/65/23/73/1075652373.db2.gz DCHMVEDJRKCVEN-CABCVRRESA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000410728084 1075652366 /nfs/dbraw/zinc/65/23/66/1075652366.db2.gz DCHMVEDJRKCVEN-CABCVRRESA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC000410728084 1075652362 /nfs/dbraw/zinc/65/23/62/1075652362.db2.gz DCHMVEDJRKCVEN-CABCVRRESA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC000410728084 1075652359 /nfs/dbraw/zinc/65/23/59/1075652359.db2.gz DCHMVEDJRKCVEN-CABCVRRESA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000410728086 1075652463 /nfs/dbraw/zinc/65/24/63/1075652463.db2.gz DCHMVEDJRKCVEN-GJZGRUSLSA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000410728086 1075652461 /nfs/dbraw/zinc/65/24/61/1075652461.db2.gz DCHMVEDJRKCVEN-GJZGRUSLSA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC000410728086 1075652457 /nfs/dbraw/zinc/65/24/57/1075652457.db2.gz DCHMVEDJRKCVEN-GJZGRUSLSA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC000410728086 1075652452 /nfs/dbraw/zinc/65/24/52/1075652452.db2.gz DCHMVEDJRKCVEN-GJZGRUSLSA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000410728088 1075652411 /nfs/dbraw/zinc/65/24/11/1075652411.db2.gz DCHMVEDJRKCVEN-HUUCEWRRSA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000410728088 1075652406 /nfs/dbraw/zinc/65/24/06/1075652406.db2.gz DCHMVEDJRKCVEN-HUUCEWRRSA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC000410728088 1075652401 /nfs/dbraw/zinc/65/24/01/1075652401.db2.gz DCHMVEDJRKCVEN-HUUCEWRRSA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC000410728088 1075652398 /nfs/dbraw/zinc/65/23/98/1075652398.db2.gz DCHMVEDJRKCVEN-HUUCEWRRSA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000410728090 1075652254 /nfs/dbraw/zinc/65/22/54/1075652254.db2.gz DCHMVEDJRKCVEN-LSDHHAIUSA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CC[NH+]1C ZINC000410728090 1075652251 /nfs/dbraw/zinc/65/22/51/1075652251.db2.gz DCHMVEDJRKCVEN-LSDHHAIUSA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)CC(N)=O)C2)CC[N@H+]1C ZINC000410728090 1075652247 /nfs/dbraw/zinc/65/22/47/1075652247.db2.gz DCHMVEDJRKCVEN-LSDHHAIUSA-N 2 2 383.493 -1.571 20 0 GAADLP CC(C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH+](C)CC(N)=O)C2)CC[N@@H+]1C ZINC000410728090 1075652244 /nfs/dbraw/zinc/65/22/44/1075652244.db2.gz DCHMVEDJRKCVEN-LSDHHAIUSA-N 2 2 383.493 -1.571 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000410879097 1075657471 /nfs/dbraw/zinc/65/74/71/1075657471.db2.gz KDZPMYHKYZOLAU-HOTGVXAUSA-N 2 2 395.504 -1.724 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000410879097 1075657469 /nfs/dbraw/zinc/65/74/69/1075657469.db2.gz KDZPMYHKYZOLAU-HOTGVXAUSA-N 2 2 395.504 -1.724 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000410879098 1075657938 /nfs/dbraw/zinc/65/79/38/1075657938.db2.gz KDZPMYHKYZOLAU-JKSUJKDBSA-N 2 2 395.504 -1.724 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000410879098 1075657935 /nfs/dbraw/zinc/65/79/35/1075657935.db2.gz KDZPMYHKYZOLAU-JKSUJKDBSA-N 2 2 395.504 -1.724 20 0 GAADLP O=C(NCCC[NH+]1CCOCC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000416786180 530099987 /nfs/dbraw/zinc/09/99/87/530099987.db2.gz CEOLOBKWHWKFLV-UHFFFAOYSA-N 2 2 375.495 -1.663 20 0 GAADLP C[NH2+]C[C@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418386689 530107718 /nfs/dbraw/zinc/10/77/18/530107718.db2.gz LQWLMERTWCJOPZ-AWEZNQCLSA-N 2 2 376.527 -1.339 20 0 GAADLP C[NH2+]C[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418386694 530107640 /nfs/dbraw/zinc/10/76/40/530107640.db2.gz LQWLMERTWCJOPZ-CQSZACIVSA-N 2 2 376.527 -1.339 20 0 GAADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418400434 530109136 /nfs/dbraw/zinc/10/91/36/530109136.db2.gz GXUDLSQPPQDIMX-AWEZNQCLSA-N 2 2 376.527 -1.211 20 0 GAADLP CC(C)[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418400440 530109263 /nfs/dbraw/zinc/10/92/63/530109263.db2.gz GXUDLSQPPQDIMX-CQSZACIVSA-N 2 2 376.527 -1.211 20 0 GAADLP CCC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418473206 530109823 /nfs/dbraw/zinc/10/98/23/530109823.db2.gz NBGRBMSNUIOYJR-UHFFFAOYSA-N 2 2 376.527 -1.195 20 0 GAADLP COCC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418510431 1073886830 /nfs/dbraw/zinc/88/68/30/1073886830.db2.gz PWWYBOUSCQAJRX-UHFFFAOYSA-N 2 2 392.526 -1.958 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)NCC(F)(F)C[NH3+])CC2)CC1 ZINC000418526906 530109501 /nfs/dbraw/zinc/10/95/01/530109501.db2.gz SBBPJMARDXKMNK-UHFFFAOYSA-N 2 2 384.453 -1.600 20 0 GAADLP CC[NH2+][C@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000418594966 530109625 /nfs/dbraw/zinc/10/96/25/530109625.db2.gz VOVQCXXKIZZDLF-CQSZACIVSA-N 2 2 376.527 -1.196 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000419115088 1073968657 /nfs/dbraw/zinc/96/86/57/1073968657.db2.gz JIECNOYWBZKRHI-CVEARBPZSA-N 2 2 397.520 -1.227 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000419115089 1073968747 /nfs/dbraw/zinc/96/87/47/1073968747.db2.gz JIECNOYWBZKRHI-HOTGVXAUSA-N 2 2 397.520 -1.227 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000419115090 1073968805 /nfs/dbraw/zinc/96/88/05/1073968805.db2.gz JIECNOYWBZKRHI-HZPDHXFCSA-N 2 2 397.520 -1.227 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000419115091 1073968690 /nfs/dbraw/zinc/96/86/90/1073968690.db2.gz JIECNOYWBZKRHI-JKSUJKDBSA-N 2 2 397.520 -1.227 20 0 GAADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419140845 1073970427 /nfs/dbraw/zinc/97/04/27/1073970427.db2.gz WISBGPANJKFEDA-CVEARBPZSA-N 2 2 390.488 -1.106 20 0 GAADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419140846 1073970467 /nfs/dbraw/zinc/97/04/67/1073970467.db2.gz WISBGPANJKFEDA-HOTGVXAUSA-N 2 2 390.488 -1.106 20 0 GAADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419140847 1073970531 /nfs/dbraw/zinc/97/05/31/1073970531.db2.gz WISBGPANJKFEDA-HZPDHXFCSA-N 2 2 390.488 -1.106 20 0 GAADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419140848 1073970486 /nfs/dbraw/zinc/97/04/86/1073970486.db2.gz WISBGPANJKFEDA-JKSUJKDBSA-N 2 2 390.488 -1.106 20 0 GAADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419141363 1073970350 /nfs/dbraw/zinc/97/03/50/1073970350.db2.gz XAKYGHGNLHTHFK-HNNXBMFYSA-N 2 2 378.477 -1.512 20 0 GAADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419141364 1073970387 /nfs/dbraw/zinc/97/03/87/1073970387.db2.gz XAKYGHGNLHTHFK-OAHLLOKOSA-N 2 2 378.477 -1.512 20 0 GAADLP C[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC000419163917 1073971678 /nfs/dbraw/zinc/97/16/78/1073971678.db2.gz LVTGQHRYRYEHSI-HNNXBMFYSA-N 2 2 375.477 -1.075 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]1 ZINC000419163918 1073971712 /nfs/dbraw/zinc/97/17/12/1073971712.db2.gz LVTGQHRYRYEHSI-OAHLLOKOSA-N 2 2 375.477 -1.075 20 0 GAADLP Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419170327 1073972403 /nfs/dbraw/zinc/97/24/03/1073972403.db2.gz HEPXMJWXAHUSQE-UHFFFAOYSA-N 2 2 398.489 -1.856 20 0 GAADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C(=O)N(CC[NH3+])CCO)CC2 ZINC000419226943 1073983955 /nfs/dbraw/zinc/98/39/55/1073983955.db2.gz FCBVCIDADCJFJE-UHFFFAOYSA-N 2 2 394.472 -1.042 20 0 GAADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C(=O)N(CC[NH3+])CCO)CC2 ZINC000419226943 1073983947 /nfs/dbraw/zinc/98/39/47/1073983947.db2.gz FCBVCIDADCJFJE-UHFFFAOYSA-N 2 2 394.472 -1.042 20 0 GAADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419228880 1073984616 /nfs/dbraw/zinc/98/46/16/1073984616.db2.gz VSXMFUSHCBSOMJ-UHFFFAOYSA-N 2 2 399.517 -1.800 20 0 GAADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000419228880 1073984604 /nfs/dbraw/zinc/98/46/04/1073984604.db2.gz VSXMFUSHCBSOMJ-UHFFFAOYSA-N 2 2 399.517 -1.800 20 0 GAADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419299211 1073988511 /nfs/dbraw/zinc/98/85/11/1073988511.db2.gz JLPRDKHMFHBJAO-UHFFFAOYSA-N 2 2 384.462 -2.246 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCOCC1 ZINC000419303256 1073988632 /nfs/dbraw/zinc/98/86/32/1073988632.db2.gz RJFUHLMVYUAGAD-CVEARBPZSA-N 2 2 395.504 -1.506 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCOCC1 ZINC000419303261 1073988443 /nfs/dbraw/zinc/98/84/43/1073988443.db2.gz RJFUHLMVYUAGAD-HOTGVXAUSA-N 2 2 395.504 -1.506 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCOCC1 ZINC000419303263 1073988713 /nfs/dbraw/zinc/98/87/13/1073988713.db2.gz RJFUHLMVYUAGAD-HZPDHXFCSA-N 2 2 395.504 -1.506 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C[NH+]1CCOCC1 ZINC000419303264 1073988482 /nfs/dbraw/zinc/98/84/82/1073988482.db2.gz RJFUHLMVYUAGAD-JKSUJKDBSA-N 2 2 395.504 -1.506 20 0 GAADLP [NH3+]CCN(CCO)C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000419504936 1074006057 /nfs/dbraw/zinc/00/60/57/1074006057.db2.gz KXUSWPPWBAFYMN-UHFFFAOYSA-N 2 2 381.452 -1.157 20 0 GAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419680654 1074008927 /nfs/dbraw/zinc/00/89/27/1074008927.db2.gz HOMVFSLAOOZFDH-GFCCVEGCSA-N 2 2 384.462 -2.166 20 0 GAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419680656 1074008905 /nfs/dbraw/zinc/00/89/05/1074008905.db2.gz HOMVFSLAOOZFDH-LBPRGKRZSA-N 2 2 384.462 -2.166 20 0 GAADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000419717062 1074009887 /nfs/dbraw/zinc/00/98/87/1074009887.db2.gz AECIPZVQKATEAF-UHFFFAOYSA-N 2 2 384.462 -2.165 20 0 GAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419864379 1074011758 /nfs/dbraw/zinc/01/17/58/1074011758.db2.gz IQIXDAJLFABUQI-UHFFFAOYSA-N 2 2 396.536 -1.590 20 0 GAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419864379 1074011752 /nfs/dbraw/zinc/01/17/52/1074011752.db2.gz IQIXDAJLFABUQI-UHFFFAOYSA-N 2 2 396.536 -1.590 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000419869956 1074012277 /nfs/dbraw/zinc/01/22/77/1074012277.db2.gz NRCBRLHLCLYNHF-HNNXBMFYSA-N 2 2 383.493 -1.506 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000419869956 1074012267 /nfs/dbraw/zinc/01/22/67/1074012267.db2.gz NRCBRLHLCLYNHF-HNNXBMFYSA-N 2 2 383.493 -1.506 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000419869958 1074012143 /nfs/dbraw/zinc/01/21/43/1074012143.db2.gz NRCBRLHLCLYNHF-OAHLLOKOSA-N 2 2 383.493 -1.506 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)[C@H](C)C1 ZINC000419869958 1074012135 /nfs/dbraw/zinc/01/21/35/1074012135.db2.gz NRCBRLHLCLYNHF-OAHLLOKOSA-N 2 2 383.493 -1.506 20 0 GAADLP CC[NH2+]CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000419897813 1074013364 /nfs/dbraw/zinc/01/33/64/1074013364.db2.gz WGMYHAKKEKHVNU-UHFFFAOYSA-N 2 2 390.510 -2.652 20 0 GAADLP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000419952058 1074013737 /nfs/dbraw/zinc/01/37/37/1074013737.db2.gz JKJGOKUGLQOKEI-CYBMUJFWSA-N 2 2 390.510 -2.666 20 0 GAADLP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000419952063 1074013757 /nfs/dbraw/zinc/01/37/57/1074013757.db2.gz JKJGOKUGLQOKEI-ZDUSSCGKSA-N 2 2 390.510 -2.666 20 0 GAADLP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000419997394 1074015276 /nfs/dbraw/zinc/01/52/76/1074015276.db2.gz ONDSUEARTWMFDF-CYBMUJFWSA-N 2 2 390.510 -2.524 20 0 GAADLP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000419997395 1074015654 /nfs/dbraw/zinc/01/56/54/1074015654.db2.gz ONDSUEARTWMFDF-ZDUSSCGKSA-N 2 2 390.510 -2.524 20 0 GAADLP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000420054749 1074017888 /nfs/dbraw/zinc/01/78/88/1074017888.db2.gz HKRAXIHEDSJLKN-KBPBESRZSA-N 2 2 383.493 -1.162 20 0 GAADLP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000420054756 1074018049 /nfs/dbraw/zinc/01/80/49/1074018049.db2.gz HKRAXIHEDSJLKN-KGLIPLIRSA-N 2 2 383.493 -1.162 20 0 GAADLP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000420054759 1074018434 /nfs/dbraw/zinc/01/84/34/1074018434.db2.gz HKRAXIHEDSJLKN-UONOGXRCSA-N 2 2 383.493 -1.162 20 0 GAADLP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000420054761 1074018332 /nfs/dbraw/zinc/01/83/32/1074018332.db2.gz HKRAXIHEDSJLKN-ZIAGYGMSSA-N 2 2 383.493 -1.162 20 0 GAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420159614 1074019811 /nfs/dbraw/zinc/01/98/11/1074019811.db2.gz IHZBXMLLGWFDCE-KBPBESRZSA-N 2 2 383.493 -1.475 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420159614 1074019802 /nfs/dbraw/zinc/01/98/02/1074019802.db2.gz IHZBXMLLGWFDCE-KBPBESRZSA-N 2 2 383.493 -1.475 20 0 GAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420159615 1074019937 /nfs/dbraw/zinc/01/99/37/1074019937.db2.gz IHZBXMLLGWFDCE-KGLIPLIRSA-N 2 2 383.493 -1.475 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420159615 1074019932 /nfs/dbraw/zinc/01/99/32/1074019932.db2.gz IHZBXMLLGWFDCE-KGLIPLIRSA-N 2 2 383.493 -1.475 20 0 GAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420159616 1074019868 /nfs/dbraw/zinc/01/98/68/1074019868.db2.gz IHZBXMLLGWFDCE-UONOGXRCSA-N 2 2 383.493 -1.475 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420159616 1074019864 /nfs/dbraw/zinc/01/98/64/1074019864.db2.gz IHZBXMLLGWFDCE-UONOGXRCSA-N 2 2 383.493 -1.475 20 0 GAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420159617 1074019765 /nfs/dbraw/zinc/01/97/65/1074019765.db2.gz IHZBXMLLGWFDCE-ZIAGYGMSSA-N 2 2 383.493 -1.475 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000420159617 1074019754 /nfs/dbraw/zinc/01/97/54/1074019754.db2.gz IHZBXMLLGWFDCE-ZIAGYGMSSA-N 2 2 383.493 -1.475 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420204715 1074021619 /nfs/dbraw/zinc/02/16/19/1074021619.db2.gz CWQPRUQRILECHK-CYBMUJFWSA-N 2 2 395.426 -1.271 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000420204721 1074021551 /nfs/dbraw/zinc/02/15/51/1074021551.db2.gz CWQPRUQRILECHK-ZDUSSCGKSA-N 2 2 395.426 -1.271 20 0 GAADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000420350908 1074023371 /nfs/dbraw/zinc/02/33/71/1074023371.db2.gz VGEBDGKADUAHAX-AWEZNQCLSA-N 2 2 392.504 -1.053 20 0 GAADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000420350908 1074023363 /nfs/dbraw/zinc/02/33/63/1074023363.db2.gz VGEBDGKADUAHAX-AWEZNQCLSA-N 2 2 392.504 -1.053 20 0 GAADLP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000420350912 1074023487 /nfs/dbraw/zinc/02/34/87/1074023487.db2.gz VGEBDGKADUAHAX-CQSZACIVSA-N 2 2 392.504 -1.053 20 0 GAADLP CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000420350912 1074023476 /nfs/dbraw/zinc/02/34/76/1074023476.db2.gz VGEBDGKADUAHAX-CQSZACIVSA-N 2 2 392.504 -1.053 20 0 GAADLP COC[C@]1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]C1 ZINC000423016621 1074043975 /nfs/dbraw/zinc/04/39/75/1074043975.db2.gz NAVGVMAYRJVYBD-INIZCTEOSA-N 2 2 389.522 -1.751 20 0 GAADLP COC[C@@]1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]C1 ZINC000423016634 1074044016 /nfs/dbraw/zinc/04/40/16/1074044016.db2.gz NAVGVMAYRJVYBD-MRXNPFEDSA-N 2 2 389.522 -1.751 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000423040915 1074044584 /nfs/dbraw/zinc/04/45/84/1074044584.db2.gz VIAPWHBOQNSFOW-INIZCTEOSA-N 2 2 395.504 -1.553 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000423040916 1074044550 /nfs/dbraw/zinc/04/45/50/1074044550.db2.gz VIAPWHBOQNSFOW-MRXNPFEDSA-N 2 2 395.504 -1.553 20 0 GAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423062046 1074044779 /nfs/dbraw/zinc/04/47/79/1074044779.db2.gz SDHLRILWSYQRLT-HNNXBMFYSA-N 2 2 383.493 -1.519 20 0 GAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423062047 1074044940 /nfs/dbraw/zinc/04/49/40/1074044940.db2.gz SDHLRILWSYQRLT-OAHLLOKOSA-N 2 2 383.493 -1.519 20 0 GAADLP C[NH2+]CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000423140156 1073781715 /nfs/dbraw/zinc/78/17/15/1073781715.db2.gz XOEKFXNZGSDURH-UHFFFAOYSA-N 2 2 390.510 -2.699 20 0 GAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000423328996 1074048189 /nfs/dbraw/zinc/04/81/89/1074048189.db2.gz OIDQRRFGJQNFSD-OWCLPIDISA-N 2 2 397.520 -1.133 20 0 GAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000423328996 1074048177 /nfs/dbraw/zinc/04/81/77/1074048177.db2.gz OIDQRRFGJQNFSD-OWCLPIDISA-N 2 2 397.520 -1.133 20 0 GAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000423329002 1074048542 /nfs/dbraw/zinc/04/85/42/1074048542.db2.gz OIDQRRFGJQNFSD-XHSDSOJGSA-N 2 2 397.520 -1.133 20 0 GAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000423329002 1074048530 /nfs/dbraw/zinc/04/85/30/1074048530.db2.gz OIDQRRFGJQNFSD-XHSDSOJGSA-N 2 2 397.520 -1.133 20 0 GAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423357833 1074049070 /nfs/dbraw/zinc/04/90/70/1074049070.db2.gz BABLBSOUXCQEDC-INIZCTEOSA-N 2 2 397.520 -1.131 20 0 GAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000423357834 1074049100 /nfs/dbraw/zinc/04/91/00/1074049100.db2.gz BABLBSOUXCQEDC-MRXNPFEDSA-N 2 2 397.520 -1.131 20 0 GAADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CC2)cc[nH+]1 ZINC000423421818 1074049156 /nfs/dbraw/zinc/04/91/56/1074049156.db2.gz KNIOJWNSCOPZFJ-INIZCTEOSA-N 2 2 387.488 -1.060 20 0 GAADLP Cc1nc(N2CCN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)cc[nH+]1 ZINC000423421819 1074048961 /nfs/dbraw/zinc/04/89/61/1074048961.db2.gz KNIOJWNSCOPZFJ-MRXNPFEDSA-N 2 2 387.488 -1.060 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)[C@H](C)C1 ZINC000423536639 1074051444 /nfs/dbraw/zinc/05/14/44/1074051444.db2.gz IAQITMPWAHDKBR-CVEARBPZSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)[C@H](C)C1 ZINC000423536639 1074051433 /nfs/dbraw/zinc/05/14/33/1074051433.db2.gz IAQITMPWAHDKBR-CVEARBPZSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)[C@@H](C)C1 ZINC000423536640 1074051473 /nfs/dbraw/zinc/05/14/73/1074051473.db2.gz IAQITMPWAHDKBR-HOTGVXAUSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)[C@@H](C)C1 ZINC000423536640 1074051462 /nfs/dbraw/zinc/05/14/62/1074051462.db2.gz IAQITMPWAHDKBR-HOTGVXAUSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)[C@H](C)C1 ZINC000423536641 1074051261 /nfs/dbraw/zinc/05/12/61/1074051261.db2.gz IAQITMPWAHDKBR-HZPDHXFCSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)[C@H](C)C1 ZINC000423536641 1074051251 /nfs/dbraw/zinc/05/12/51/1074051251.db2.gz IAQITMPWAHDKBR-HZPDHXFCSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)[C@@H](C)C1 ZINC000423536642 1074051316 /nfs/dbraw/zinc/05/13/16/1074051316.db2.gz IAQITMPWAHDKBR-JKSUJKDBSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)[C@@H](C)C1 ZINC000423536642 1074051304 /nfs/dbraw/zinc/05/13/04/1074051304.db2.gz IAQITMPWAHDKBR-JKSUJKDBSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000423536698 1074051348 /nfs/dbraw/zinc/05/13/48/1074051348.db2.gz IFOKIFYDJLAUTN-CVEARBPZSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000423536698 1074051334 /nfs/dbraw/zinc/05/13/34/1074051334.db2.gz IFOKIFYDJLAUTN-CVEARBPZSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000423536699 1074051411 /nfs/dbraw/zinc/05/14/11/1074051411.db2.gz IFOKIFYDJLAUTN-HOTGVXAUSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000423536699 1074051400 /nfs/dbraw/zinc/05/14/00/1074051400.db2.gz IFOKIFYDJLAUTN-HOTGVXAUSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000423536700 1074052016 /nfs/dbraw/zinc/05/20/16/1074052016.db2.gz IFOKIFYDJLAUTN-HZPDHXFCSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000423536700 1074052010 /nfs/dbraw/zinc/05/20/10/1074052010.db2.gz IFOKIFYDJLAUTN-HZPDHXFCSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000423536701 1074052085 /nfs/dbraw/zinc/05/20/85/1074052085.db2.gz IFOKIFYDJLAUTN-JKSUJKDBSA-N 2 2 395.504 -1.412 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000423536701 1074052074 /nfs/dbraw/zinc/05/20/74/1074052074.db2.gz IFOKIFYDJLAUTN-JKSUJKDBSA-N 2 2 395.504 -1.412 20 0 GAADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000423602834 1074053579 /nfs/dbraw/zinc/05/35/79/1074053579.db2.gz HNAVJKGOFZVGCR-UHFFFAOYSA-N 2 2 398.489 -1.823 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423604347 1074054015 /nfs/dbraw/zinc/05/40/15/1074054015.db2.gz FLDUJOOKHOLYLO-INIZCTEOSA-N 2 2 397.520 -1.702 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423604350 1074053970 /nfs/dbraw/zinc/05/39/70/1074053970.db2.gz FLDUJOOKHOLYLO-MRXNPFEDSA-N 2 2 397.520 -1.702 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423674448 1074058895 /nfs/dbraw/zinc/05/88/95/1074058895.db2.gz PDWUGOIXBVMTJM-HNNXBMFYSA-N 2 2 383.493 -1.377 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423674453 1074058926 /nfs/dbraw/zinc/05/89/26/1074058926.db2.gz PDWUGOIXBVMTJM-OAHLLOKOSA-N 2 2 383.493 -1.377 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423690556 1074059195 /nfs/dbraw/zinc/05/91/95/1074059195.db2.gz YMTBDCVYTTUYBQ-CABCVRRESA-N 2 2 383.493 -1.643 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000423690559 1074059831 /nfs/dbraw/zinc/05/98/31/1074059831.db2.gz YMTBDCVYTTUYBQ-GJZGRUSLSA-N 2 2 383.493 -1.643 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423690562 1074059845 /nfs/dbraw/zinc/05/98/45/1074059845.db2.gz YMTBDCVYTTUYBQ-HUUCEWRRSA-N 2 2 383.493 -1.643 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000423690563 1074059671 /nfs/dbraw/zinc/05/96/71/1074059671.db2.gz YMTBDCVYTTUYBQ-LSDHHAIUSA-N 2 2 383.493 -1.643 20 0 GAADLP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000423693825 1074058340 /nfs/dbraw/zinc/05/83/40/1074058340.db2.gz AERFRJKDMZGVFW-CYBMUJFWSA-N 2 2 390.510 -2.572 20 0 GAADLP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000423693831 1074058398 /nfs/dbraw/zinc/05/83/98/1074058398.db2.gz AERFRJKDMZGVFW-ZDUSSCGKSA-N 2 2 390.510 -2.572 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000423707624 1074059899 /nfs/dbraw/zinc/05/98/99/1074059899.db2.gz LADDAYCHGNTXMT-CVEARBPZSA-N 2 2 395.504 -1.818 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000423707625 1074059794 /nfs/dbraw/zinc/05/97/94/1074059794.db2.gz LADDAYCHGNTXMT-HZPDHXFCSA-N 2 2 395.504 -1.818 20 0 GAADLP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)CC[NH2+]CC2 ZINC000424496221 1074065627 /nfs/dbraw/zinc/06/56/27/1074065627.db2.gz SRPYZIXAMRKGJH-CABCVRRESA-N 2 2 395.504 -1.379 20 0 GAADLP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)CC[NH2+]CC2 ZINC000424496221 1074065623 /nfs/dbraw/zinc/06/56/23/1074065623.db2.gz SRPYZIXAMRKGJH-CABCVRRESA-N 2 2 395.504 -1.379 20 0 GAADLP C[C@H]1CC2(CN1C(=O)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)CC[NH2+]CC2 ZINC000424496224 1074065767 /nfs/dbraw/zinc/06/57/67/1074065767.db2.gz SRPYZIXAMRKGJH-GJZGRUSLSA-N 2 2 395.504 -1.379 20 0 GAADLP C[C@H]1CC2(CN1C(=O)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)CC[NH2+]CC2 ZINC000424496224 1074065762 /nfs/dbraw/zinc/06/57/62/1074065762.db2.gz SRPYZIXAMRKGJH-GJZGRUSLSA-N 2 2 395.504 -1.379 20 0 GAADLP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)CC[NH2+]CC2 ZINC000424496226 1074065655 /nfs/dbraw/zinc/06/56/55/1074065655.db2.gz SRPYZIXAMRKGJH-HUUCEWRRSA-N 2 2 395.504 -1.379 20 0 GAADLP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)CC[NH2+]CC2 ZINC000424496226 1074065652 /nfs/dbraw/zinc/06/56/52/1074065652.db2.gz SRPYZIXAMRKGJH-HUUCEWRRSA-N 2 2 395.504 -1.379 20 0 GAADLP C[C@H]1CC2(CN1C(=O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)CC[NH2+]CC2 ZINC000424496228 1074065668 /nfs/dbraw/zinc/06/56/68/1074065668.db2.gz SRPYZIXAMRKGJH-LSDHHAIUSA-N 2 2 395.504 -1.379 20 0 GAADLP C[C@H]1CC2(CN1C(=O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)CC[NH2+]CC2 ZINC000424496228 1074065665 /nfs/dbraw/zinc/06/56/65/1074065665.db2.gz SRPYZIXAMRKGJH-LSDHHAIUSA-N 2 2 395.504 -1.379 20 0 GAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000424551467 1074067319 /nfs/dbraw/zinc/06/73/19/1074067319.db2.gz WBSNTKAIYUARJE-JKSUJKDBSA-N 2 2 378.477 -1.146 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425871999 1074110345 /nfs/dbraw/zinc/11/03/45/1074110345.db2.gz NPJKDPZUHWPKJQ-UHFFFAOYSA-N 2 2 397.520 -1.118 20 0 GAADLP COc1nc(NC[C@@H]2C[NH+](C)CCN2C)nc(NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000426904258 1074159893 /nfs/dbraw/zinc/15/98/93/1074159893.db2.gz YHIXVSMSLBIOTM-GASCZTMLSA-N 2 2 393.540 -1.961 20 0 GAADLP COc1nc(NC[C@@H]2C[NH+](C)CCN2C)nc(NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000426904258 1074159887 /nfs/dbraw/zinc/15/98/87/1074159887.db2.gz YHIXVSMSLBIOTM-GASCZTMLSA-N 2 2 393.540 -1.961 20 0 GAADLP COc1nc(NC[C@@H]2C[N@@H+](C)CCN2C)nc(NC[C@H]2C[NH+](C)CCN2C)n1 ZINC000426904258 1074159884 /nfs/dbraw/zinc/15/98/84/1074159884.db2.gz YHIXVSMSLBIOTM-GASCZTMLSA-N 2 2 393.540 -1.961 20 0 GAADLP COc1nc(NC[C@@H]2C[N@H+](C)CCN2C)nc(NC[C@H]2C[NH+](C)CCN2C)n1 ZINC000426904258 1074159877 /nfs/dbraw/zinc/15/98/77/1074159877.db2.gz YHIXVSMSLBIOTM-GASCZTMLSA-N 2 2 393.540 -1.961 20 0 GAADLP COc1nc(NC[C@H]2C[NH+](C)CCN2C)nc(NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000426904259 1074160038 /nfs/dbraw/zinc/16/00/38/1074160038.db2.gz YHIXVSMSLBIOTM-GJZGRUSLSA-N 2 2 393.540 -1.961 20 0 GAADLP COc1nc(NC[C@H]2C[NH+](C)CCN2C)nc(NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000426904259 1074160031 /nfs/dbraw/zinc/16/00/31/1074160031.db2.gz YHIXVSMSLBIOTM-GJZGRUSLSA-N 2 2 393.540 -1.961 20 0 GAADLP COc1nc(NC[C@@H]2C[NH+](C)CCN2C)nc(NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000426904260 1074159978 /nfs/dbraw/zinc/15/99/78/1074159978.db2.gz YHIXVSMSLBIOTM-HUUCEWRRSA-N 2 2 393.540 -1.961 20 0 GAADLP COc1nc(NC[C@@H]2C[NH+](C)CCN2C)nc(NC[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000426904260 1074159969 /nfs/dbraw/zinc/15/99/69/1074159969.db2.gz YHIXVSMSLBIOTM-HUUCEWRRSA-N 2 2 393.540 -1.961 20 0 GAADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000428213384 1074193862 /nfs/dbraw/zinc/19/38/62/1074193862.db2.gz RZOGZHIZNGPNQM-HNNXBMFYSA-N 2 2 381.477 -1.943 20 0 GAADLP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000428213385 1074193909 /nfs/dbraw/zinc/19/39/09/1074193909.db2.gz RZOGZHIZNGPNQM-OAHLLOKOSA-N 2 2 381.477 -1.943 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428513090 1074278046 /nfs/dbraw/zinc/27/80/46/1074278046.db2.gz UANSIZLIUQWPAW-HOTGVXAUSA-N 2 2 386.493 -1.947 20 0 GAADLP C[C@H]1CN(C(=O)COCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536801 1074281097 /nfs/dbraw/zinc/28/10/97/1074281097.db2.gz MFPUKCMYDFAIAO-HOTGVXAUSA-N 2 2 386.493 -1.947 20 0 GAADLP C[C@H]1CN(C(=O)COCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536801 1074281085 /nfs/dbraw/zinc/28/10/85/1074281085.db2.gz MFPUKCMYDFAIAO-HOTGVXAUSA-N 2 2 386.493 -1.947 20 0 GAADLP C[C@@H]1CN(C(=O)COCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000428536803 1074281359 /nfs/dbraw/zinc/28/13/59/1074281359.db2.gz MFPUKCMYDFAIAO-HZPDHXFCSA-N 2 2 386.493 -1.947 20 0 GAADLP C[C@@H]1CN(C(=O)COCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000428536803 1074281352 /nfs/dbraw/zinc/28/13/52/1074281352.db2.gz MFPUKCMYDFAIAO-HZPDHXFCSA-N 2 2 386.493 -1.947 20 0 GAADLP C[C@@H]1CN(C(=O)COCC(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@H+]1CCO ZINC000428536805 1074281318 /nfs/dbraw/zinc/28/13/18/1074281318.db2.gz MFPUKCMYDFAIAO-IYBDPMFKSA-N 2 2 386.493 -1.947 20 0 GAADLP C[C@@H]1CN(C(=O)COCC(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@@H+]1CCO ZINC000428536805 1074281313 /nfs/dbraw/zinc/28/13/13/1074281313.db2.gz MFPUKCMYDFAIAO-IYBDPMFKSA-N 2 2 386.493 -1.947 20 0 GAADLP C[C@@H]1CN(C(=O)COCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536805 1074281309 /nfs/dbraw/zinc/28/13/09/1074281309.db2.gz MFPUKCMYDFAIAO-IYBDPMFKSA-N 2 2 386.493 -1.947 20 0 GAADLP C[C@@H]1CN(C(=O)COCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000428536805 1074281303 /nfs/dbraw/zinc/28/13/03/1074281303.db2.gz MFPUKCMYDFAIAO-IYBDPMFKSA-N 2 2 386.493 -1.947 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)c3csc(C[NH3+])n3)CC2)CC1 ZINC000429694832 530117968 /nfs/dbraw/zinc/11/79/68/530117968.db2.gz CDKNQDXDCZFMBO-UHFFFAOYSA-N 2 2 388.519 -1.148 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000429705467 530118106 /nfs/dbraw/zinc/11/81/06/530118106.db2.gz UASLXVBHCWQSCP-AWEZNQCLSA-N 2 2 375.495 -1.999 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000429705470 530117898 /nfs/dbraw/zinc/11/78/98/530117898.db2.gz UASLXVBHCWQSCP-CQSZACIVSA-N 2 2 375.495 -1.999 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(CC[N@H+]3CCCOCC3)CC2)CC1 ZINC000429715785 530117937 /nfs/dbraw/zinc/11/79/37/530117937.db2.gz JHTMUQSCRFOWFV-UHFFFAOYSA-N 2 2 375.539 -1.182 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000429715785 530117933 /nfs/dbraw/zinc/11/79/33/530117933.db2.gz JHTMUQSCRFOWFV-UHFFFAOYSA-N 2 2 375.539 -1.182 20 0 GAADLP COCC[NH2+]CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430715401 1073572394 /nfs/dbraw/zinc/57/23/94/1073572394.db2.gz POQHJTGAJVDTPI-UHFFFAOYSA-N 2 2 385.490 -1.114 20 0 GAADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000430718679 1073573217 /nfs/dbraw/zinc/57/32/17/1073573217.db2.gz YBELCDOZJQYXLK-AWEZNQCLSA-N 2 2 383.474 -1.362 20 0 GAADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1C[NH2+]CCO1 ZINC000430718683 1073573319 /nfs/dbraw/zinc/57/33/19/1073573319.db2.gz YBELCDOZJQYXLK-CQSZACIVSA-N 2 2 383.474 -1.362 20 0 GAADLP O=C(COC1C[NH2+]C1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430719228 1073572617 /nfs/dbraw/zinc/57/26/17/1073572617.db2.gz ZHWVZTVUTHNXDZ-UHFFFAOYSA-N 2 2 383.474 -1.362 20 0 GAADLP O=C(CN1CC[NH2+]CC1=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000431008249 1073576806 /nfs/dbraw/zinc/57/68/06/1073576806.db2.gz YKTJPGOPXADYQJ-UHFFFAOYSA-N 2 2 375.477 -1.073 20 0 GAADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000432513132 1073948221 /nfs/dbraw/zinc/94/82/21/1073948221.db2.gz AFWLCKSPGJVWLY-UONOGXRCSA-N 2 2 383.474 -1.628 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000435557292 1074084226 /nfs/dbraw/zinc/08/42/26/1074084226.db2.gz IKTNZCLYFILDJW-CVEARBPZSA-N 2 2 385.509 -1.092 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000435557292 1074084218 /nfs/dbraw/zinc/08/42/18/1074084218.db2.gz IKTNZCLYFILDJW-CVEARBPZSA-N 2 2 385.509 -1.092 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000435557296 1074084306 /nfs/dbraw/zinc/08/43/06/1074084306.db2.gz IKTNZCLYFILDJW-HOTGVXAUSA-N 2 2 385.509 -1.092 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000435557296 1074084296 /nfs/dbraw/zinc/08/42/96/1074084296.db2.gz IKTNZCLYFILDJW-HOTGVXAUSA-N 2 2 385.509 -1.092 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000435557299 1074084365 /nfs/dbraw/zinc/08/43/65/1074084365.db2.gz IKTNZCLYFILDJW-HZPDHXFCSA-N 2 2 385.509 -1.092 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000435557299 1074084360 /nfs/dbraw/zinc/08/43/60/1074084360.db2.gz IKTNZCLYFILDJW-HZPDHXFCSA-N 2 2 385.509 -1.092 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000435557301 1074084392 /nfs/dbraw/zinc/08/43/92/1074084392.db2.gz IKTNZCLYFILDJW-JKSUJKDBSA-N 2 2 385.509 -1.092 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000435557301 1074084389 /nfs/dbraw/zinc/08/43/89/1074084389.db2.gz IKTNZCLYFILDJW-JKSUJKDBSA-N 2 2 385.509 -1.092 20 0 GAADLP CNc1nc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000436445210 1074093496 /nfs/dbraw/zinc/09/34/96/1074093496.db2.gz TUPYKDDZWJTEDB-HUUCEWRRSA-N 2 2 394.524 -1.659 20 0 GAADLP COc1nc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000436458484 1074093558 /nfs/dbraw/zinc/09/35/58/1074093558.db2.gz IKMQRBPQTBVTKQ-HUUCEWRRSA-N 2 2 395.508 -1.114 20 0 GAADLP OCC[NH+]1CCN(c2cc(N3CC[NH+](CCO)CC3)n3ncnc3n2)CC1 ZINC000439571546 1074135765 /nfs/dbraw/zinc/13/57/65/1074135765.db2.gz LZADIUJNPHMJIF-UHFFFAOYSA-N 2 2 376.465 -1.647 20 0 GAADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000440279358 1074146313 /nfs/dbraw/zinc/14/63/13/1074146313.db2.gz CTVZKNHOONPNIF-CYBMUJFWSA-N 2 2 379.465 -1.338 20 0 GAADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000440279358 1074146310 /nfs/dbraw/zinc/14/63/10/1074146310.db2.gz CTVZKNHOONPNIF-CYBMUJFWSA-N 2 2 379.465 -1.338 20 0 GAADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000440279367 1074146189 /nfs/dbraw/zinc/14/61/89/1074146189.db2.gz CTVZKNHOONPNIF-ZDUSSCGKSA-N 2 2 379.465 -1.338 20 0 GAADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000440279367 1074146183 /nfs/dbraw/zinc/14/61/83/1074146183.db2.gz CTVZKNHOONPNIF-ZDUSSCGKSA-N 2 2 379.465 -1.338 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441006017 1074169964 /nfs/dbraw/zinc/16/99/64/1074169964.db2.gz DSKJROMJSGEOGQ-HNNXBMFYSA-N 2 2 388.428 -0.643 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441006022 1074170007 /nfs/dbraw/zinc/17/00/07/1074170007.db2.gz DSKJROMJSGEOGQ-OAHLLOKOSA-N 2 2 388.428 -0.643 20 0 GAADLP C[C@@](O)(CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C[NH+]1CCOCC1 ZINC000442044712 1074872412 /nfs/dbraw/zinc/87/24/12/1074872412.db2.gz PBZYXUOWKMYQBN-GOSISDBHSA-N 2 2 388.428 -0.595 20 0 GAADLP C[C@](O)(CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)C[NH+]1CCOCC1 ZINC000442044715 1074198681 /nfs/dbraw/zinc/19/86/81/1074198681.db2.gz PBZYXUOWKMYQBN-SFHVURJKSA-N 2 2 388.428 -0.595 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000442058013 1074198019 /nfs/dbraw/zinc/19/80/19/1074198019.db2.gz NABLAWDABZOWIN-AWEZNQCLSA-N 2 2 394.476 -0.521 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000442058013 1074198014 /nfs/dbraw/zinc/19/80/14/1074198014.db2.gz NABLAWDABZOWIN-AWEZNQCLSA-N 2 2 394.476 -0.521 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000442058015 1074198101 /nfs/dbraw/zinc/19/81/01/1074198101.db2.gz NABLAWDABZOWIN-CQSZACIVSA-N 2 2 394.476 -0.521 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000442058015 1074198097 /nfs/dbraw/zinc/19/80/97/1074198097.db2.gz NABLAWDABZOWIN-CQSZACIVSA-N 2 2 394.476 -0.521 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000444386691 1074236966 /nfs/dbraw/zinc/23/69/66/1074236966.db2.gz UANSIZLIUQWPAW-HZPDHXFCSA-N 2 2 386.493 -1.947 20 0 GAADLP CNc1nc(NCC[NH+]2CCCOCC2)nc(NCC[N@H+]2CCCOCC2)n1 ZINC000445663499 1074245377 /nfs/dbraw/zinc/24/53/77/1074245377.db2.gz HIRPEMBHAVIMBT-UHFFFAOYSA-N 2 2 394.524 -1.553 20 0 GAADLP CNc1nc(NCC[NH+]2CCCOCC2)nc(NCC[N@@H+]2CCCOCC2)n1 ZINC000445663499 1074245367 /nfs/dbraw/zinc/24/53/67/1074245367.db2.gz HIRPEMBHAVIMBT-UHFFFAOYSA-N 2 2 394.524 -1.553 20 0 GAADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446724955 1074249071 /nfs/dbraw/zinc/24/90/71/1074249071.db2.gz DGXPRGSEEQSSNV-AWEZNQCLSA-N 2 2 394.476 -0.521 20 0 GAADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000446724956 1074249064 /nfs/dbraw/zinc/24/90/64/1074249064.db2.gz DGXPRGSEEQSSNV-CQSZACIVSA-N 2 2 394.476 -0.521 20 0 GAADLP O=C(NCCNc1cc[nH+]cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446788024 1074878223 /nfs/dbraw/zinc/87/82/23/1074878223.db2.gz VTVNJDRVVPOGFB-UHFFFAOYSA-N 2 2 387.444 -0.801 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C(C)[C@H]2C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000450796995 1074267489 /nfs/dbraw/zinc/26/74/89/1074267489.db2.gz MXNZPPBTWXLIOM-CWLKWCNXSA-N 2 2 396.532 -1.082 20 0 GAADLP CC1[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000450817254 1074267409 /nfs/dbraw/zinc/26/74/09/1074267409.db2.gz XPLJVEPGGOZZMX-CWLKWCNXSA-N 2 2 396.532 -1.082 20 0 GAADLP CC1[C@@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)[C@@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000450817254 1074267405 /nfs/dbraw/zinc/26/74/05/1074267405.db2.gz XPLJVEPGGOZZMX-CWLKWCNXSA-N 2 2 396.532 -1.082 20 0 GAADLP C[C@H]1[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000450817255 1074267572 /nfs/dbraw/zinc/26/75/72/1074267572.db2.gz XPLJVEPGGOZZMX-DISONHOPSA-N 2 2 396.532 -1.082 20 0 GAADLP C[C@H]1[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000450817255 1074267568 /nfs/dbraw/zinc/26/75/68/1074267568.db2.gz XPLJVEPGGOZZMX-DISONHOPSA-N 2 2 396.532 -1.082 20 0 GAADLP C[C@H]1[C@@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000450817255 1074267566 /nfs/dbraw/zinc/26/75/66/1074267566.db2.gz XPLJVEPGGOZZMX-DISONHOPSA-N 2 2 396.532 -1.082 20 0 GAADLP C[C@H]1[C@@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000450817255 1074267562 /nfs/dbraw/zinc/26/75/62/1074267562.db2.gz XPLJVEPGGOZZMX-DISONHOPSA-N 2 2 396.532 -1.082 20 0 GAADLP CC1[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000450817256 1074267614 /nfs/dbraw/zinc/26/76/14/1074267614.db2.gz XPLJVEPGGOZZMX-JOCBIADPSA-N 2 2 396.532 -1.082 20 0 GAADLP CC1[C@@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000450817256 1074267606 /nfs/dbraw/zinc/26/76/06/1074267606.db2.gz XPLJVEPGGOZZMX-JOCBIADPSA-N 2 2 396.532 -1.082 20 0 GAADLP COc1nc(N2CC[NH+](CCO)C[C@H]2C)nc(N2CC[N@@H+](CCO)C[C@@H]2C)n1 ZINC000450953196 1074268117 /nfs/dbraw/zinc/26/81/17/1074268117.db2.gz KFOBQUMQNAMYQA-GASCZTMLSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[NH+](CCO)C[C@H]2C)nc(N2CC[N@H+](CCO)C[C@@H]2C)n1 ZINC000450953196 1074268111 /nfs/dbraw/zinc/26/81/11/1074268111.db2.gz KFOBQUMQNAMYQA-GASCZTMLSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[N@@H+](CCO)C[C@H]2C)nc(N2CC[NH+](CCO)C[C@@H]2C)n1 ZINC000450953196 1074268102 /nfs/dbraw/zinc/26/81/02/1074268102.db2.gz KFOBQUMQNAMYQA-GASCZTMLSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[N@H+](CCO)C[C@H]2C)nc(N2CC[NH+](CCO)C[C@@H]2C)n1 ZINC000450953196 1074268094 /nfs/dbraw/zinc/26/80/94/1074268094.db2.gz KFOBQUMQNAMYQA-GASCZTMLSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[NH+](CCO)C[C@@H]2C)nc(N2CC[N@@H+](CCO)C[C@@H]2C)n1 ZINC000450953229 1074268277 /nfs/dbraw/zinc/26/82/77/1074268277.db2.gz KFOBQUMQNAMYQA-GJZGRUSLSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[NH+](CCO)C[C@@H]2C)nc(N2CC[N@H+](CCO)C[C@@H]2C)n1 ZINC000450953229 1074268272 /nfs/dbraw/zinc/26/82/72/1074268272.db2.gz KFOBQUMQNAMYQA-GJZGRUSLSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[NH+](CCO)C[C@H]2C)nc(N2CC[N@@H+](CCO)C[C@H]2C)n1 ZINC000450953231 1074268242 /nfs/dbraw/zinc/26/82/42/1074268242.db2.gz KFOBQUMQNAMYQA-HUUCEWRRSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[NH+](CCO)C[C@H]2C)nc(N2CC[N@H+](CCO)C[C@H]2C)n1 ZINC000450953231 1074268237 /nfs/dbraw/zinc/26/82/37/1074268237.db2.gz KFOBQUMQNAMYQA-HUUCEWRRSA-N 2 2 395.508 -1.114 20 0 GAADLP CNc1nc(N2CC[NH+](CCO)C[C@H]2C)nc(N2CC[N@@H+](CCO)C[C@@H]2C)n1 ZINC000450954225 1074268206 /nfs/dbraw/zinc/26/82/06/1074268206.db2.gz MYGMATTYWRYMEN-GASCZTMLSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[NH+](CCO)C[C@H]2C)nc(N2CC[N@H+](CCO)C[C@@H]2C)n1 ZINC000450954225 1074268202 /nfs/dbraw/zinc/26/82/02/1074268202.db2.gz MYGMATTYWRYMEN-GASCZTMLSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[N@@H+](CCO)C[C@H]2C)nc(N2CC[NH+](CCO)C[C@@H]2C)n1 ZINC000450954225 1074268196 /nfs/dbraw/zinc/26/81/96/1074268196.db2.gz MYGMATTYWRYMEN-GASCZTMLSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[N@H+](CCO)C[C@H]2C)nc(N2CC[NH+](CCO)C[C@@H]2C)n1 ZINC000450954225 1074268189 /nfs/dbraw/zinc/26/81/89/1074268189.db2.gz MYGMATTYWRYMEN-GASCZTMLSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[NH+](CCO)C[C@@H]2C)nc(N2CC[N@@H+](CCO)C[C@@H]2C)n1 ZINC000450954226 1074267969 /nfs/dbraw/zinc/26/79/69/1074267969.db2.gz MYGMATTYWRYMEN-GJZGRUSLSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[NH+](CCO)C[C@@H]2C)nc(N2CC[N@H+](CCO)C[C@@H]2C)n1 ZINC000450954226 1074267962 /nfs/dbraw/zinc/26/79/62/1074267962.db2.gz MYGMATTYWRYMEN-GJZGRUSLSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[NH+](CCO)C[C@H]2C)nc(N2CC[N@@H+](CCO)C[C@H]2C)n1 ZINC000450954227 1074268072 /nfs/dbraw/zinc/26/80/72/1074268072.db2.gz MYGMATTYWRYMEN-HUUCEWRRSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[NH+](CCO)C[C@H]2C)nc(N2CC[N@H+](CCO)C[C@H]2C)n1 ZINC000450954227 1074268067 /nfs/dbraw/zinc/26/80/67/1074268067.db2.gz MYGMATTYWRYMEN-HUUCEWRRSA-N 2 2 394.524 -1.659 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C(C)[C@H]2C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000450958346 1074268175 /nfs/dbraw/zinc/26/81/75/1074268175.db2.gz MXNZPPBTWXLIOM-JOCBIADPSA-N 2 2 396.532 -1.082 20 0 GAADLP C[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000455425369 530127517 /nfs/dbraw/zinc/12/75/17/530127517.db2.gz CHUNLCCDDANUOE-AWEZNQCLSA-N 2 2 376.527 -1.244 20 0 GAADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000459865154 1074312827 /nfs/dbraw/zinc/31/28/27/1074312827.db2.gz LEBKPLDMNKXCMA-HNNXBMFYSA-N 2 2 383.493 -1.569 20 0 GAADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000459865154 1074312819 /nfs/dbraw/zinc/31/28/19/1074312819.db2.gz LEBKPLDMNKXCMA-HNNXBMFYSA-N 2 2 383.493 -1.569 20 0 GAADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000459865165 1074312921 /nfs/dbraw/zinc/31/29/21/1074312921.db2.gz LEBKPLDMNKXCMA-OAHLLOKOSA-N 2 2 383.493 -1.569 20 0 GAADLP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000459865165 1074312914 /nfs/dbraw/zinc/31/29/14/1074312914.db2.gz LEBKPLDMNKXCMA-OAHLLOKOSA-N 2 2 383.493 -1.569 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000459882349 1074317055 /nfs/dbraw/zinc/31/70/55/1074317055.db2.gz DEKFASSZHXDHBZ-INIZCTEOSA-N 2 2 395.504 -1.458 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000459882349 1074317048 /nfs/dbraw/zinc/31/70/48/1074317048.db2.gz DEKFASSZHXDHBZ-INIZCTEOSA-N 2 2 395.504 -1.458 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000459882351 1074317176 /nfs/dbraw/zinc/31/71/76/1074317176.db2.gz DEKFASSZHXDHBZ-MRXNPFEDSA-N 2 2 395.504 -1.458 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000459882351 1074317170 /nfs/dbraw/zinc/31/71/70/1074317170.db2.gz DEKFASSZHXDHBZ-MRXNPFEDSA-N 2 2 395.504 -1.458 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000459884607 1074318109 /nfs/dbraw/zinc/31/81/09/1074318109.db2.gz JRBGOXCIAJEAHG-UHFFFAOYSA-N 2 2 395.504 -1.456 20 0 GAADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000459885745 1074317854 /nfs/dbraw/zinc/31/78/54/1074317854.db2.gz MMZGCNPIEXWNQA-UHFFFAOYSA-N 2 2 397.520 -1.210 20 0 GAADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000459900856 1074316566 /nfs/dbraw/zinc/31/65/66/1074316566.db2.gz IXDSUKYBEOZZEI-HNNXBMFYSA-N 2 2 385.509 -1.323 20 0 GAADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000459900856 1074316557 /nfs/dbraw/zinc/31/65/57/1074316557.db2.gz IXDSUKYBEOZZEI-HNNXBMFYSA-N 2 2 385.509 -1.323 20 0 GAADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000459900866 1074316816 /nfs/dbraw/zinc/31/68/16/1074316816.db2.gz IXDSUKYBEOZZEI-OAHLLOKOSA-N 2 2 385.509 -1.323 20 0 GAADLP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000459900866 1074316809 /nfs/dbraw/zinc/31/68/09/1074316809.db2.gz IXDSUKYBEOZZEI-OAHLLOKOSA-N 2 2 385.509 -1.323 20 0 GAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000459909445 1074321716 /nfs/dbraw/zinc/32/17/16/1074321716.db2.gz CHEMNZCXPAUYJE-INIZCTEOSA-N 2 2 395.504 -1.282 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000459909445 1074321711 /nfs/dbraw/zinc/32/17/11/1074321711.db2.gz CHEMNZCXPAUYJE-INIZCTEOSA-N 2 2 395.504 -1.282 20 0 GAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000459909446 1074321585 /nfs/dbraw/zinc/32/15/85/1074321585.db2.gz CHEMNZCXPAUYJE-MRXNPFEDSA-N 2 2 395.504 -1.282 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000459909446 1074321575 /nfs/dbraw/zinc/32/15/75/1074321575.db2.gz CHEMNZCXPAUYJE-MRXNPFEDSA-N 2 2 395.504 -1.282 20 0 GAADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000459917863 1074320094 /nfs/dbraw/zinc/32/00/94/1074320094.db2.gz JZWGCGGBKXNHJX-CABCVRRESA-N 2 2 383.493 -1.426 20 0 GAADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000459917863 1074320089 /nfs/dbraw/zinc/32/00/89/1074320089.db2.gz JZWGCGGBKXNHJX-CABCVRRESA-N 2 2 383.493 -1.426 20 0 GAADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000459917866 1074320057 /nfs/dbraw/zinc/32/00/57/1074320057.db2.gz JZWGCGGBKXNHJX-GJZGRUSLSA-N 2 2 383.493 -1.426 20 0 GAADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000459917866 1074320053 /nfs/dbraw/zinc/32/00/53/1074320053.db2.gz JZWGCGGBKXNHJX-GJZGRUSLSA-N 2 2 383.493 -1.426 20 0 GAADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000459917867 1074320009 /nfs/dbraw/zinc/32/00/09/1074320009.db2.gz JZWGCGGBKXNHJX-HUUCEWRRSA-N 2 2 383.493 -1.426 20 0 GAADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000459917867 1074320004 /nfs/dbraw/zinc/32/00/04/1074320004.db2.gz JZWGCGGBKXNHJX-HUUCEWRRSA-N 2 2 383.493 -1.426 20 0 GAADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1 ZINC000459917869 1074319901 /nfs/dbraw/zinc/31/99/01/1074319901.db2.gz JZWGCGGBKXNHJX-LSDHHAIUSA-N 2 2 383.493 -1.426 20 0 GAADLP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1 ZINC000459917869 1074319895 /nfs/dbraw/zinc/31/98/95/1074319895.db2.gz JZWGCGGBKXNHJX-LSDHHAIUSA-N 2 2 383.493 -1.426 20 0 GAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCO1 ZINC000459984188 1074327631 /nfs/dbraw/zinc/32/76/31/1074327631.db2.gz BPRUZDOSJPAVHO-HNNXBMFYSA-N 2 2 381.477 -1.815 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCO1 ZINC000459984188 1074327624 /nfs/dbraw/zinc/32/76/24/1074327624.db2.gz BPRUZDOSJPAVHO-HNNXBMFYSA-N 2 2 381.477 -1.815 20 0 GAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCO1 ZINC000459984189 1074327605 /nfs/dbraw/zinc/32/76/05/1074327605.db2.gz BPRUZDOSJPAVHO-OAHLLOKOSA-N 2 2 381.477 -1.815 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC3CC3)CC2)CCO1 ZINC000459984189 1074327596 /nfs/dbraw/zinc/32/75/96/1074327596.db2.gz BPRUZDOSJPAVHO-OAHLLOKOSA-N 2 2 381.477 -1.815 20 0 GAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCO1 ZINC000460066023 1074331231 /nfs/dbraw/zinc/33/12/31/1074331231.db2.gz QTGKEDMJVIMADH-CVEARBPZSA-N 2 2 395.504 -1.282 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCO1 ZINC000460066023 1074331224 /nfs/dbraw/zinc/33/12/24/1074331224.db2.gz QTGKEDMJVIMADH-CVEARBPZSA-N 2 2 395.504 -1.282 20 0 GAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCO1 ZINC000460066026 1074331459 /nfs/dbraw/zinc/33/14/59/1074331459.db2.gz QTGKEDMJVIMADH-HOTGVXAUSA-N 2 2 395.504 -1.282 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCO1 ZINC000460066026 1074331448 /nfs/dbraw/zinc/33/14/48/1074331448.db2.gz QTGKEDMJVIMADH-HOTGVXAUSA-N 2 2 395.504 -1.282 20 0 GAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCO1 ZINC000460066028 1074331279 /nfs/dbraw/zinc/33/12/79/1074331279.db2.gz QTGKEDMJVIMADH-HZPDHXFCSA-N 2 2 395.504 -1.282 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCO1 ZINC000460066028 1074331272 /nfs/dbraw/zinc/33/12/72/1074331272.db2.gz QTGKEDMJVIMADH-HZPDHXFCSA-N 2 2 395.504 -1.282 20 0 GAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCO1 ZINC000460066031 1074331404 /nfs/dbraw/zinc/33/14/04/1074331404.db2.gz QTGKEDMJVIMADH-JKSUJKDBSA-N 2 2 395.504 -1.282 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCO1 ZINC000460066031 1074331397 /nfs/dbraw/zinc/33/13/97/1074331397.db2.gz QTGKEDMJVIMADH-JKSUJKDBSA-N 2 2 395.504 -1.282 20 0 GAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000465886571 1074794206 /nfs/dbraw/zinc/79/42/06/1074794206.db2.gz JUFHKZWREYVFPD-GOSISDBHSA-N 2 2 385.509 -1.079 20 0 GAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000465886573 1074793917 /nfs/dbraw/zinc/79/39/17/1074793917.db2.gz JUFHKZWREYVFPD-SFHVURJKSA-N 2 2 385.509 -1.079 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000468493833 530129625 /nfs/dbraw/zinc/12/96/25/530129625.db2.gz YXAXVXSQNAXMBS-AWEZNQCLSA-N 2 2 375.495 -2.047 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000468493833 530129620 /nfs/dbraw/zinc/12/96/20/530129620.db2.gz YXAXVXSQNAXMBS-AWEZNQCLSA-N 2 2 375.495 -2.047 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000468493834 530130560 /nfs/dbraw/zinc/13/05/60/530130560.db2.gz YXAXVXSQNAXMBS-CQSZACIVSA-N 2 2 375.495 -2.047 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000468493834 530130558 /nfs/dbraw/zinc/13/05/58/530130558.db2.gz YXAXVXSQNAXMBS-CQSZACIVSA-N 2 2 375.495 -2.047 20 0 GAADLP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000469311157 1074093625 /nfs/dbraw/zinc/09/36/25/1074093625.db2.gz ZWKPBCRIMIREOG-HNNXBMFYSA-N 2 2 378.477 -0.436 20 0 GAADLP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000469311204 1075684299 /nfs/dbraw/zinc/68/42/99/1075684299.db2.gz ZWKPBCRIMIREOG-OAHLLOKOSA-N 2 2 378.477 -0.436 20 0 GAADLP C[C@H]1COCC[N@H+]1CCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000472744360 530132009 /nfs/dbraw/zinc/13/20/09/530132009.db2.gz BTJAQWSXBHIAEL-INIZCTEOSA-N 2 2 375.539 -1.183 20 0 GAADLP C[C@H]1COCC[N@@H+]1CCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000472744360 530132008 /nfs/dbraw/zinc/13/20/08/530132008.db2.gz BTJAQWSXBHIAEL-INIZCTEOSA-N 2 2 375.539 -1.183 20 0 GAADLP C[C@@H]1COCC[N@H+]1CCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000472744378 530131961 /nfs/dbraw/zinc/13/19/61/530131961.db2.gz BTJAQWSXBHIAEL-MRXNPFEDSA-N 2 2 375.539 -1.183 20 0 GAADLP C[C@@H]1COCC[N@@H+]1CCN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000472744378 530131959 /nfs/dbraw/zinc/13/19/59/530131959.db2.gz BTJAQWSXBHIAEL-MRXNPFEDSA-N 2 2 375.539 -1.183 20 0 GAADLP C[C@H]1C[N@@H+](CCN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000472746276 530132055 /nfs/dbraw/zinc/13/20/55/530132055.db2.gz FAQCKCRVJKUFJQ-INIZCTEOSA-N 2 2 375.539 -1.183 20 0 GAADLP C[C@H]1C[N@H+](CCN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000472746276 530132054 /nfs/dbraw/zinc/13/20/54/530132054.db2.gz FAQCKCRVJKUFJQ-INIZCTEOSA-N 2 2 375.539 -1.183 20 0 GAADLP C[C@@H]1C[N@@H+](CCN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000472746279 530131840 /nfs/dbraw/zinc/13/18/40/530131840.db2.gz FAQCKCRVJKUFJQ-MRXNPFEDSA-N 2 2 375.539 -1.183 20 0 GAADLP C[C@@H]1C[N@H+](CCN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000472746279 530131836 /nfs/dbraw/zinc/13/18/36/530131836.db2.gz FAQCKCRVJKUFJQ-MRXNPFEDSA-N 2 2 375.539 -1.183 20 0 GAADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000478023905 1074370033 /nfs/dbraw/zinc/37/00/33/1074370033.db2.gz AFWLCKSPGJVWLY-ZIAGYGMSSA-N 2 2 383.474 -1.628 20 0 GAADLP Cc1nc(NC[C@H]2C[NH+](C)CCN2C)nc(NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000480140890 1074393538 /nfs/dbraw/zinc/39/35/38/1074393538.db2.gz QDOGTOZLIZUCER-HOTGVXAUSA-N 2 2 377.541 -1.661 20 0 GAADLP Cc1nc(NC[C@H]2C[NH+](C)CCN2C)nc(NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000480140890 1074393532 /nfs/dbraw/zinc/39/35/32/1074393532.db2.gz QDOGTOZLIZUCER-HOTGVXAUSA-N 2 2 377.541 -1.661 20 0 GAADLP Cc1nc(NC[C@@H]2C[NH+](C)CCN2C)nc(NC[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000480140895 1074393587 /nfs/dbraw/zinc/39/35/87/1074393587.db2.gz QDOGTOZLIZUCER-HZPDHXFCSA-N 2 2 377.541 -1.661 20 0 GAADLP Cc1nc(NC[C@@H]2C[NH+](C)CCN2C)nc(NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000480140895 1074393578 /nfs/dbraw/zinc/39/35/78/1074393578.db2.gz QDOGTOZLIZUCER-HZPDHXFCSA-N 2 2 377.541 -1.661 20 0 GAADLP Cc1nc(NC[C@@H]2C[NH+](C)CCN2C)nc(NC[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000480140896 1074394259 /nfs/dbraw/zinc/39/42/59/1074394259.db2.gz QDOGTOZLIZUCER-IYBDPMFKSA-N 2 2 377.541 -1.661 20 0 GAADLP Cc1nc(NC[C@@H]2C[NH+](C)CCN2C)nc(NC[C@H]2C[N@H+](C)CCN2C)n1 ZINC000480140896 1074394247 /nfs/dbraw/zinc/39/42/47/1074394247.db2.gz QDOGTOZLIZUCER-IYBDPMFKSA-N 2 2 377.541 -1.661 20 0 GAADLP Cc1nc(NC[C@@H]2C[N@H+](C)CCN2C)nc(NC[C@H]2C[NH+](C)CCN2C)n1 ZINC000480140896 1074394236 /nfs/dbraw/zinc/39/42/36/1074394236.db2.gz QDOGTOZLIZUCER-IYBDPMFKSA-N 2 2 377.541 -1.661 20 0 GAADLP Cc1nc(NC[C@@H]2C[N@@H+](C)CCN2C)nc(NC[C@H]2C[NH+](C)CCN2C)n1 ZINC000480140896 1074394228 /nfs/dbraw/zinc/39/42/28/1074394228.db2.gz QDOGTOZLIZUCER-IYBDPMFKSA-N 2 2 377.541 -1.661 20 0 GAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000485792838 1074460652 /nfs/dbraw/zinc/46/06/52/1074460652.db2.gz UPTSDPIIJPYGOP-CABCVRRESA-N 2 2 391.476 -1.135 20 0 GAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000485792849 1074460565 /nfs/dbraw/zinc/46/05/65/1074460565.db2.gz UPTSDPIIJPYGOP-GJZGRUSLSA-N 2 2 391.476 -1.135 20 0 GAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000485792853 1074460551 /nfs/dbraw/zinc/46/05/51/1074460551.db2.gz UPTSDPIIJPYGOP-HUUCEWRRSA-N 2 2 391.476 -1.135 20 0 GAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000485792856 1074461300 /nfs/dbraw/zinc/46/13/00/1074461300.db2.gz UPTSDPIIJPYGOP-LSDHHAIUSA-N 2 2 391.476 -1.135 20 0 GAADLP Cn1c2ncn(CC[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)c2c(=O)n(C)c1=O ZINC000486461069 1074467013 /nfs/dbraw/zinc/46/70/13/1074467013.db2.gz OBJXRJBMLAQKLS-CYBMUJFWSA-N 2 2 389.460 -1.670 20 0 GAADLP Cn1c2ncn(CC[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)c2c(=O)n(C)c1=O ZINC000486461069 1074467005 /nfs/dbraw/zinc/46/70/05/1074467005.db2.gz OBJXRJBMLAQKLS-CYBMUJFWSA-N 2 2 389.460 -1.670 20 0 GAADLP Cn1c2ncn(CC[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)c2c(=O)n(C)c1=O ZINC000486461072 1074467237 /nfs/dbraw/zinc/46/72/37/1074467237.db2.gz OBJXRJBMLAQKLS-ZDUSSCGKSA-N 2 2 389.460 -1.670 20 0 GAADLP Cn1c2ncn(CC[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)c2c(=O)n(C)c1=O ZINC000486461072 1074467234 /nfs/dbraw/zinc/46/72/34/1074467234.db2.gz OBJXRJBMLAQKLS-ZDUSSCGKSA-N 2 2 389.460 -1.670 20 0 GAADLP C[NH+](CCOCC[N@H+](C)CC(=O)N1CCOCC1)CC(=O)N1CCOCC1 ZINC000487452065 1074223303 /nfs/dbraw/zinc/22/33/03/1074223303.db2.gz VODRXBKWKIDSBF-UHFFFAOYSA-N 2 2 386.493 -1.416 20 0 GAADLP C[NH+](CCOCC[N@@H+](C)CC(=O)N1CCOCC1)CC(=O)N1CCOCC1 ZINC000487452065 1074223296 /nfs/dbraw/zinc/22/32/96/1074223296.db2.gz VODRXBKWKIDSBF-UHFFFAOYSA-N 2 2 386.493 -1.416 20 0 GAADLP CS(=O)(=O)N[C@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489289077 530136568 /nfs/dbraw/zinc/13/65/68/530136568.db2.gz JVGOGXRBKROBPE-KBPBESRZSA-N 2 2 398.551 -1.750 20 0 GAADLP CS(=O)(=O)N[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489289077 530136567 /nfs/dbraw/zinc/13/65/67/530136567.db2.gz JVGOGXRBKROBPE-KBPBESRZSA-N 2 2 398.551 -1.750 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489289079 530136561 /nfs/dbraw/zinc/13/65/61/530136561.db2.gz JVGOGXRBKROBPE-OKILXGFUSA-N 2 2 398.551 -1.750 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[N@@H+](CCOCC[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489289079 530136560 /nfs/dbraw/zinc/13/65/60/530136560.db2.gz JVGOGXRBKROBPE-OKILXGFUSA-N 2 2 398.551 -1.750 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489289079 530136559 /nfs/dbraw/zinc/13/65/59/530136559.db2.gz JVGOGXRBKROBPE-OKILXGFUSA-N 2 2 398.551 -1.750 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489289079 530136558 /nfs/dbraw/zinc/13/65/58/530136558.db2.gz JVGOGXRBKROBPE-OKILXGFUSA-N 2 2 398.551 -1.750 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[NH+](CCOCC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000489289080 530136528 /nfs/dbraw/zinc/13/65/28/530136528.db2.gz JVGOGXRBKROBPE-ZIAGYGMSSA-N 2 2 398.551 -1.750 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000489289080 530136526 /nfs/dbraw/zinc/13/65/26/530136526.db2.gz JVGOGXRBKROBPE-ZIAGYGMSSA-N 2 2 398.551 -1.750 20 0 GAADLP COc1nc(N2CC[NH+](C[C@H](C)O)CC2)nc(N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000489910856 1074500883 /nfs/dbraw/zinc/50/08/83/1074500883.db2.gz IKMQRBPQTBVTKQ-GJZGRUSLSA-N 2 2 395.508 -1.114 20 0 GAADLP CNc1nc(N2CC[NH+](C[C@H](C)O)CC2)nc(N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000489916019 1074500669 /nfs/dbraw/zinc/50/06/69/1074500669.db2.gz TUPYKDDZWJTEDB-GJZGRUSLSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000490034711 1074501416 /nfs/dbraw/zinc/50/14/16/1074501416.db2.gz BQBKHPNIBXITQI-GASCZTMLSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@H+](CCO)[C@@H](C)C2)n1 ZINC000490034711 1074501413 /nfs/dbraw/zinc/50/14/13/1074501413.db2.gz BQBKHPNIBXITQI-GASCZTMLSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[N@@H+](CCO)[C@H](C)C2)nc(N2CC[NH+](CCO)[C@@H](C)C2)n1 ZINC000490034711 1074501408 /nfs/dbraw/zinc/50/14/08/1074501408.db2.gz BQBKHPNIBXITQI-GASCZTMLSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[N@H+](CCO)[C@H](C)C2)nc(N2CC[NH+](CCO)[C@@H](C)C2)n1 ZINC000490034711 1074501407 /nfs/dbraw/zinc/50/14/07/1074501407.db2.gz BQBKHPNIBXITQI-GASCZTMLSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[NH+](CCO)[C@@H](C)C2)nc(N2CC[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000490034712 1074501300 /nfs/dbraw/zinc/50/13/00/1074501300.db2.gz BQBKHPNIBXITQI-GJZGRUSLSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[NH+](CCO)[C@@H](C)C2)nc(N2CC[N@H+](CCO)[C@@H](C)C2)n1 ZINC000490034712 1074501295 /nfs/dbraw/zinc/50/12/95/1074501295.db2.gz BQBKHPNIBXITQI-GJZGRUSLSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@@H+](CCO)[C@H](C)C2)n1 ZINC000490034713 1074501339 /nfs/dbraw/zinc/50/13/39/1074501339.db2.gz BQBKHPNIBXITQI-HUUCEWRRSA-N 2 2 394.524 -1.659 20 0 GAADLP CNc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@H+](CCO)[C@H](C)C2)n1 ZINC000490034713 1074501333 /nfs/dbraw/zinc/50/13/33/1074501333.db2.gz BQBKHPNIBXITQI-HUUCEWRRSA-N 2 2 394.524 -1.659 20 0 GAADLP COc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000490042127 1074501254 /nfs/dbraw/zinc/50/12/54/1074501254.db2.gz ONITXNXSLWVIGI-GASCZTMLSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@H+](CCO)[C@@H](C)C2)n1 ZINC000490042127 1074501249 /nfs/dbraw/zinc/50/12/49/1074501249.db2.gz ONITXNXSLWVIGI-GASCZTMLSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[N@@H+](CCO)[C@H](C)C2)nc(N2CC[NH+](CCO)[C@@H](C)C2)n1 ZINC000490042127 1074501245 /nfs/dbraw/zinc/50/12/45/1074501245.db2.gz ONITXNXSLWVIGI-GASCZTMLSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[N@H+](CCO)[C@H](C)C2)nc(N2CC[NH+](CCO)[C@@H](C)C2)n1 ZINC000490042127 1074501242 /nfs/dbraw/zinc/50/12/42/1074501242.db2.gz ONITXNXSLWVIGI-GASCZTMLSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[NH+](CCO)[C@@H](C)C2)nc(N2CC[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000490042128 1074501380 /nfs/dbraw/zinc/50/13/80/1074501380.db2.gz ONITXNXSLWVIGI-GJZGRUSLSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[NH+](CCO)[C@@H](C)C2)nc(N2CC[N@H+](CCO)[C@@H](C)C2)n1 ZINC000490042128 1074501378 /nfs/dbraw/zinc/50/13/78/1074501378.db2.gz ONITXNXSLWVIGI-GJZGRUSLSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@@H+](CCO)[C@H](C)C2)n1 ZINC000490042129 1074501229 /nfs/dbraw/zinc/50/12/29/1074501229.db2.gz ONITXNXSLWVIGI-HUUCEWRRSA-N 2 2 395.508 -1.114 20 0 GAADLP COc1nc(N2CC[NH+](CCO)[C@H](C)C2)nc(N2CC[N@H+](CCO)[C@H](C)C2)n1 ZINC000490042129 1074501225 /nfs/dbraw/zinc/50/12/25/1074501225.db2.gz ONITXNXSLWVIGI-HUUCEWRRSA-N 2 2 395.508 -1.114 20 0 GAADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000490388197 1074503530 /nfs/dbraw/zinc/50/35/30/1074503530.db2.gz ZOVUALQIYDLLKH-UHFFFAOYSA-N 2 2 391.476 -1.194 20 0 GAADLP CC[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000490415700 1074503512 /nfs/dbraw/zinc/50/35/12/1074503512.db2.gz VGFACJAOLPMDHB-UHFFFAOYSA-N 2 2 379.465 -1.337 20 0 GAADLP O=C1NC(=O)N2CC[NH+](CCCCC[N@H+]3CCN4C(=O)NC(=O)[C@@H]4C3)C[C@H]12 ZINC000492947354 1074894634 /nfs/dbraw/zinc/89/46/34/1074894634.db2.gz BOMBWWVUAZUMSR-BETUJISGSA-N 2 2 378.433 -1.371 20 0 GAADLP O=C1NC(=O)N2CC[NH+](CCCCC[N@@H+]3CCN4C(=O)NC(=O)[C@@H]4C3)C[C@H]12 ZINC000492947354 1074894627 /nfs/dbraw/zinc/89/46/27/1074894627.db2.gz BOMBWWVUAZUMSR-BETUJISGSA-N 2 2 378.433 -1.371 20 0 GAADLP O=C1NC(=O)N2CC[N@@H+](CCCCC[NH+]3CCN4C(=O)NC(=O)[C@@H]4C3)C[C@H]12 ZINC000492947354 1074894623 /nfs/dbraw/zinc/89/46/23/1074894623.db2.gz BOMBWWVUAZUMSR-BETUJISGSA-N 2 2 378.433 -1.371 20 0 GAADLP O=C1NC(=O)N2CC[N@H+](CCCCC[NH+]3CCN4C(=O)NC(=O)[C@@H]4C3)C[C@H]12 ZINC000492947354 1074894613 /nfs/dbraw/zinc/89/46/13/1074894613.db2.gz BOMBWWVUAZUMSR-BETUJISGSA-N 2 2 378.433 -1.371 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496269392 1074645767 /nfs/dbraw/zinc/64/57/67/1074645767.db2.gz ZKWSAKMVHLICLI-INIZCTEOSA-N 2 2 399.536 -1.720 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496269392 1074645759 /nfs/dbraw/zinc/64/57/59/1074645759.db2.gz ZKWSAKMVHLICLI-INIZCTEOSA-N 2 2 399.536 -1.720 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000496269393 1074645885 /nfs/dbraw/zinc/64/58/85/1074645885.db2.gz ZKWSAKMVHLICLI-MRXNPFEDSA-N 2 2 399.536 -1.720 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000496269393 1074645877 /nfs/dbraw/zinc/64/58/77/1074645877.db2.gz ZKWSAKMVHLICLI-MRXNPFEDSA-N 2 2 399.536 -1.720 20 0 GAADLP CSCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000497778673 530084965 /nfs/dbraw/zinc/08/49/65/530084965.db2.gz MTTPACBXTRRXJV-ZDUSSCGKSA-N 2 2 379.552 -1.297 20 0 GAADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCO[C@@H](C[NH+](C)CC(N)=O)C2)CC1 ZINC000498950134 1074670789 /nfs/dbraw/zinc/67/07/89/1074670789.db2.gz GYUGOZZUDMKGCB-HNNXBMFYSA-N 2 2 381.477 -1.601 20 0 GAADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCO[C@@H](C[NH+](C)CC(N)=O)C2)CC1 ZINC000498950134 1074670784 /nfs/dbraw/zinc/67/07/84/1074670784.db2.gz GYUGOZZUDMKGCB-HNNXBMFYSA-N 2 2 381.477 -1.601 20 0 GAADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000498950134 1074670781 /nfs/dbraw/zinc/67/07/81/1074670781.db2.gz GYUGOZZUDMKGCB-HNNXBMFYSA-N 2 2 381.477 -1.601 20 0 GAADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000498950134 1074670777 /nfs/dbraw/zinc/67/07/77/1074670777.db2.gz GYUGOZZUDMKGCB-HNNXBMFYSA-N 2 2 381.477 -1.601 20 0 GAADLP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCO[C@H](C[NH+](C)CC(N)=O)C2)CC1 ZINC000498950138 1074670752 /nfs/dbraw/zinc/67/07/52/1074670752.db2.gz GYUGOZZUDMKGCB-OAHLLOKOSA-N 2 2 381.477 -1.601 20 0 GAADLP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCO[C@H](C[NH+](C)CC(N)=O)C2)CC1 ZINC000498950138 1074670749 /nfs/dbraw/zinc/67/07/49/1074670749.db2.gz GYUGOZZUDMKGCB-OAHLLOKOSA-N 2 2 381.477 -1.601 20 0 GAADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000498950138 1074670747 /nfs/dbraw/zinc/67/07/47/1074670747.db2.gz GYUGOZZUDMKGCB-OAHLLOKOSA-N 2 2 381.477 -1.601 20 0 GAADLP CC1=CC[NH+](CCNC(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000498950138 1074670746 /nfs/dbraw/zinc/67/07/46/1074670746.db2.gz GYUGOZZUDMKGCB-OAHLLOKOSA-N 2 2 381.477 -1.601 20 0 GAADLP Cn1cc(S(=O)(=O)NCC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cn1 ZINC000501091277 1074006864 /nfs/dbraw/zinc/00/68/64/1074006864.db2.gz VEPVFTOYKNYQFC-UHFFFAOYSA-N 2 2 387.506 -1.143 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)OC)C1 ZINC000504250226 1074052932 /nfs/dbraw/zinc/05/29/32/1074052932.db2.gz ALPONEICHDCPLR-HOTGVXAUSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)OC)C1 ZINC000504250226 1074052922 /nfs/dbraw/zinc/05/29/22/1074052922.db2.gz ALPONEICHDCPLR-HOTGVXAUSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)OC)C1 ZINC000504250227 1074053025 /nfs/dbraw/zinc/05/30/25/1074053025.db2.gz ALPONEICHDCPLR-HZPDHXFCSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)OC)C1 ZINC000504250227 1074053015 /nfs/dbraw/zinc/05/30/15/1074053015.db2.gz ALPONEICHDCPLR-HZPDHXFCSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)OC)C1 ZINC000504250228 1074052883 /nfs/dbraw/zinc/05/28/83/1074052883.db2.gz ALPONEICHDCPLR-PHZGNYQRSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)OC)C1 ZINC000504250228 1074052882 /nfs/dbraw/zinc/05/28/82/1074052882.db2.gz ALPONEICHDCPLR-PHZGNYQRSA-N 2 2 386.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)OC)C1 ZINC000504250228 1074052872 /nfs/dbraw/zinc/05/28/72/1074052872.db2.gz ALPONEICHDCPLR-PHZGNYQRSA-N 2 2 386.493 -1.325 20 0 GAADLP Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC000507388658 1074162917 /nfs/dbraw/zinc/16/29/17/1074162917.db2.gz BGSGYGQXWWNJHV-UHFFFAOYSA-N 2 2 394.476 -1.761 20 0 GAADLP C[C@@H](C[NH+](C)C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000512435984 530143443 /nfs/dbraw/zinc/14/34/43/530143443.db2.gz FLHJQFXVBUJUBX-AWEZNQCLSA-N 2 2 376.527 -1.244 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000512673165 1073983457 /nfs/dbraw/zinc/98/34/57/1073983457.db2.gz OXVIKAQCMCYWCE-UHFFFAOYSA-N 2 2 398.552 -1.160 20 0 GAADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000516180868 530116478 /nfs/dbraw/zinc/11/64/78/530116478.db2.gz PDYGNCDTOSRLQH-UHFFFAOYSA-N 2 2 375.495 -2.111 20 0 GAADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000516180868 530116477 /nfs/dbraw/zinc/11/64/77/530116477.db2.gz PDYGNCDTOSRLQH-UHFFFAOYSA-N 2 2 375.495 -2.111 20 0 GAADLP C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000516469806 530116298 /nfs/dbraw/zinc/11/62/98/530116298.db2.gz RMKQZMRUHXTTNP-HOTGVXAUSA-N 2 2 375.539 -1.137 20 0 GAADLP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000516469807 530116460 /nfs/dbraw/zinc/11/64/60/530116460.db2.gz RMKQZMRUHXTTNP-HZPDHXFCSA-N 2 2 375.539 -1.137 20 0 GAADLP C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000516469808 530116599 /nfs/dbraw/zinc/11/65/99/530116599.db2.gz RMKQZMRUHXTTNP-IYBDPMFKSA-N 2 2 375.539 -1.137 20 0 GAADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000516567648 1074099527 /nfs/dbraw/zinc/09/95/27/1074099527.db2.gz STHRZQDHUDJMMB-CABCVRRESA-N 2 2 381.477 -1.706 20 0 GAADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000516567649 1074099694 /nfs/dbraw/zinc/09/96/94/1074099694.db2.gz STHRZQDHUDJMMB-GJZGRUSLSA-N 2 2 381.477 -1.706 20 0 GAADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000516567650 1074099654 /nfs/dbraw/zinc/09/96/54/1074099654.db2.gz STHRZQDHUDJMMB-HUUCEWRRSA-N 2 2 381.477 -1.706 20 0 GAADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000516567651 1074099596 /nfs/dbraw/zinc/09/95/96/1074099596.db2.gz STHRZQDHUDJMMB-LSDHHAIUSA-N 2 2 381.477 -1.706 20 0 GAADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519365294 1074145796 /nfs/dbraw/zinc/14/57/96/1074145796.db2.gz VTIHHMQSJFXZFD-CVEARBPZSA-N 2 2 395.504 -1.377 20 0 GAADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519365294 1074145793 /nfs/dbraw/zinc/14/57/93/1074145793.db2.gz VTIHHMQSJFXZFD-CVEARBPZSA-N 2 2 395.504 -1.377 20 0 GAADLP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519365295 1074145741 /nfs/dbraw/zinc/14/57/41/1074145741.db2.gz VTIHHMQSJFXZFD-HOTGVXAUSA-N 2 2 395.504 -1.377 20 0 GAADLP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519365295 1074145739 /nfs/dbraw/zinc/14/57/39/1074145739.db2.gz VTIHHMQSJFXZFD-HOTGVXAUSA-N 2 2 395.504 -1.377 20 0 GAADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519365296 1074145822 /nfs/dbraw/zinc/14/58/22/1074145822.db2.gz VTIHHMQSJFXZFD-HZPDHXFCSA-N 2 2 395.504 -1.377 20 0 GAADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519365296 1074145820 /nfs/dbraw/zinc/14/58/20/1074145820.db2.gz VTIHHMQSJFXZFD-HZPDHXFCSA-N 2 2 395.504 -1.377 20 0 GAADLP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519365297 1074145852 /nfs/dbraw/zinc/14/58/52/1074145852.db2.gz VTIHHMQSJFXZFD-JKSUJKDBSA-N 2 2 395.504 -1.377 20 0 GAADLP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000519365297 1074145850 /nfs/dbraw/zinc/14/58/50/1074145850.db2.gz VTIHHMQSJFXZFD-JKSUJKDBSA-N 2 2 395.504 -1.377 20 0 GAADLP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000521993223 1074206664 /nfs/dbraw/zinc/20/66/64/1074206664.db2.gz SLVMGIHHBAIEOK-UHFFFAOYSA-N 2 2 387.506 -2.015 20 0 GAADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)CC1 ZINC000522708564 1074225715 /nfs/dbraw/zinc/22/57/15/1074225715.db2.gz BCNWJLXUMAVAOR-GOSISDBHSA-N 2 2 394.564 -1.069 20 0 GAADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)CC1 ZINC000522708564 1074225711 /nfs/dbraw/zinc/22/57/11/1074225711.db2.gz BCNWJLXUMAVAOR-GOSISDBHSA-N 2 2 394.564 -1.069 20 0 GAADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)CC1 ZINC000522708565 1074225817 /nfs/dbraw/zinc/22/58/17/1074225817.db2.gz BCNWJLXUMAVAOR-SFHVURJKSA-N 2 2 394.564 -1.069 20 0 GAADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)C2)CC1 ZINC000522708565 1074225806 /nfs/dbraw/zinc/22/58/06/1074225806.db2.gz BCNWJLXUMAVAOR-SFHVURJKSA-N 2 2 394.564 -1.069 20 0 GAADLP CN(C(=O)CSCC(N)=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000522818879 1074229725 /nfs/dbraw/zinc/22/97/25/1074229725.db2.gz RKAJWHFJSPBCIM-UHFFFAOYSA-N 2 2 385.534 -1.098 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)CC1 ZINC000528351002 530112502 /nfs/dbraw/zinc/11/25/02/530112502.db2.gz OJQXPTMYPBEZOF-HNNXBMFYSA-N 2 2 376.523 -1.238 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)CC1 ZINC000528351014 530112241 /nfs/dbraw/zinc/11/22/41/530112241.db2.gz OJQXPTMYPBEZOF-OAHLLOKOSA-N 2 2 376.523 -1.238 20 0 GAADLP Cn1c(N)c(C(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000530243435 1074268624 /nfs/dbraw/zinc/26/86/24/1074268624.db2.gz YCUODGMQNWVMHO-CYBMUJFWSA-N 2 2 379.461 -1.061 20 0 GAADLP Cn1c(N)c(C(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000530243445 1074268693 /nfs/dbraw/zinc/26/86/93/1074268693.db2.gz YCUODGMQNWVMHO-ZDUSSCGKSA-N 2 2 379.461 -1.061 20 0 GAADLP C[NH+](C)C1CC[NH+](CCNC(=O)CN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000531851722 530092487 /nfs/dbraw/zinc/09/24/87/530092487.db2.gz RFQZMGYULIZEDF-UHFFFAOYSA-N 2 2 375.539 -1.294 20 0 GAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000532389461 1074283339 /nfs/dbraw/zinc/28/33/39/1074283339.db2.gz ACCGFBSVMMOFTC-UHFFFAOYSA-N 2 2 382.509 -1.044 20 0 GAADLP NS(=O)(=O)N1CC[NH+](CCCCC[NH+]2CCN(S(N)(=O)=O)CC2)CC1 ZINC000533286590 530113414 /nfs/dbraw/zinc/11/34/14/530113414.db2.gz JVHADSDWIRLDQH-UHFFFAOYSA-N 2 2 398.555 -2.201 20 0 GAADLP C[C@@H]1C[N@H+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[NH+](C)C[C@@H]2C)CC1 ZINC000533440850 1074297514 /nfs/dbraw/zinc/29/75/14/1074297514.db2.gz KTWASIUHCLKYII-HDICACEKSA-N 2 2 394.564 -1.071 20 0 GAADLP C[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[NH+](C)C[C@@H]2C)CC1 ZINC000533440850 1074297507 /nfs/dbraw/zinc/29/75/07/1074297507.db2.gz KTWASIUHCLKYII-HDICACEKSA-N 2 2 394.564 -1.071 20 0 GAADLP C[C@@H]1C[NH+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000533440850 1074297505 /nfs/dbraw/zinc/29/75/05/1074297505.db2.gz KTWASIUHCLKYII-HDICACEKSA-N 2 2 394.564 -1.071 20 0 GAADLP C[C@@H]1C[NH+](C)CCN1CC(=O)N1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000533440850 1074297497 /nfs/dbraw/zinc/29/74/97/1074297497.db2.gz KTWASIUHCLKYII-HDICACEKSA-N 2 2 394.564 -1.071 20 0 GAADLP CNS(=O)(=O)[C@H]1CC[NH+](CC(C)C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533545571 530072773 /nfs/dbraw/zinc/07/27/73/530072773.db2.gz UFGOSMYECMNWKF-KBPBESRZSA-N 2 2 382.552 -1.131 20 0 GAADLP CNS(=O)(=O)[C@H]1CC[NH+](CC(C)C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533545571 530072772 /nfs/dbraw/zinc/07/27/72/530072772.db2.gz UFGOSMYECMNWKF-KBPBESRZSA-N 2 2 382.552 -1.131 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC(C)C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000533545574 530072929 /nfs/dbraw/zinc/07/29/29/530072929.db2.gz UFGOSMYECMNWKF-ZIAGYGMSSA-N 2 2 382.552 -1.131 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC(C)C[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000533545574 530072928 /nfs/dbraw/zinc/07/29/28/530072928.db2.gz UFGOSMYECMNWKF-ZIAGYGMSSA-N 2 2 382.552 -1.131 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533545631 530072667 /nfs/dbraw/zinc/07/26/67/530072667.db2.gz UFGOSMYECMNWKF-ZSOGYDGISA-N 2 2 382.552 -1.131 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533545631 530072666 /nfs/dbraw/zinc/07/26/66/530072666.db2.gz UFGOSMYECMNWKF-ZSOGYDGISA-N 2 2 382.552 -1.131 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533545631 530072665 /nfs/dbraw/zinc/07/26/65/530072665.db2.gz UFGOSMYECMNWKF-ZSOGYDGISA-N 2 2 382.552 -1.131 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](C[C@@H](C)C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533545631 530072664 /nfs/dbraw/zinc/07/26/64/530072664.db2.gz UFGOSMYECMNWKF-ZSOGYDGISA-N 2 2 382.552 -1.131 20 0 GAADLP COc1nc(N2CC[NH+](CCCO)CC2)nc(N2CC[NH+](CCCO)CC2)n1 ZINC000533884693 1074307737 /nfs/dbraw/zinc/30/77/37/1074307737.db2.gz MJQXNXMGNAKXFZ-UHFFFAOYSA-N 2 2 395.508 -1.111 20 0 GAADLP O=C1NC[C@H]2C[NH+](CCCC[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000535011265 1074588284 /nfs/dbraw/zinc/58/82/84/1074588284.db2.gz MZWNGEPDUPFNED-KBPBESRZSA-N 2 2 392.460 -2.948 20 0 GAADLP O=C1NC[C@H]2C[NH+](CCCC[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000535011265 1074588278 /nfs/dbraw/zinc/58/82/78/1074588278.db2.gz MZWNGEPDUPFNED-KBPBESRZSA-N 2 2 392.460 -2.948 20 0 GAADLP O=C1NC[C@@H]2C[N@@H+](CCCC[NH+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000535011277 1074588380 /nfs/dbraw/zinc/58/83/80/1074588380.db2.gz MZWNGEPDUPFNED-OKILXGFUSA-N 2 2 392.460 -2.948 20 0 GAADLP O=C1NC[C@@H]2C[N@H+](CCCC[NH+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000535011277 1074588372 /nfs/dbraw/zinc/58/83/72/1074588372.db2.gz MZWNGEPDUPFNED-OKILXGFUSA-N 2 2 392.460 -2.948 20 0 GAADLP O=C1NC[C@@H]2C[NH+](CCCC[N@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000535011277 1074588365 /nfs/dbraw/zinc/58/83/65/1074588365.db2.gz MZWNGEPDUPFNED-OKILXGFUSA-N 2 2 392.460 -2.948 20 0 GAADLP O=C1NC[C@@H]2C[NH+](CCCC[N@@H+]3CCN4C(=O)C(=O)NC[C@H]4C3)CCN2C1=O ZINC000535011277 1074588356 /nfs/dbraw/zinc/58/83/56/1074588356.db2.gz MZWNGEPDUPFNED-OKILXGFUSA-N 2 2 392.460 -2.948 20 0 GAADLP O=C1NC[C@@H]2C[NH+](CCCC[N@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000535011278 1074588202 /nfs/dbraw/zinc/58/82/02/1074588202.db2.gz MZWNGEPDUPFNED-ZIAGYGMSSA-N 2 2 392.460 -2.948 20 0 GAADLP O=C1NC[C@@H]2C[NH+](CCCC[N@@H+]3CCN4C(=O)C(=O)NC[C@@H]4C3)CCN2C1=O ZINC000535011278 1074588193 /nfs/dbraw/zinc/58/81/93/1074588193.db2.gz MZWNGEPDUPFNED-ZIAGYGMSSA-N 2 2 392.460 -2.948 20 0 GAADLP CNc1nc(N2CC[NH+](CCCO)CC2)nc(N2CC[NH+](CCCO)CC2)n1 ZINC000535328599 1074589538 /nfs/dbraw/zinc/58/95/38/1074589538.db2.gz AXGSYZASSHBCAI-UHFFFAOYSA-N 2 2 394.524 -1.656 20 0 GAADLP COCC(=O)N(C)CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000535390493 1074589584 /nfs/dbraw/zinc/58/95/84/1074589584.db2.gz KWEXLQYSCAWOQN-UHFFFAOYSA-N 2 2 397.520 -1.212 20 0 GAADLP CS(=O)(=O)N1CC[NH+](CCCC[NH+]2CCN(S(C)(=O)=O)CC2)CC1 ZINC000535719857 530101417 /nfs/dbraw/zinc/10/14/17/530101417.db2.gz JOGLTCCGMHYOLE-UHFFFAOYSA-N 2 2 382.552 -1.079 20 0 GAADLP NS(=O)(=O)N1CC[NH+](CCCC[NH+]2CCN(S(N)(=O)=O)CC2)CC1 ZINC000536541906 530082005 /nfs/dbraw/zinc/08/20/05/530082005.db2.gz FETNLECYNMRJOR-UHFFFAOYSA-N 2 2 384.528 -2.591 20 0 GAADLP C[C@@H](C[NH+]1CCOCC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000538096012 530146968 /nfs/dbraw/zinc/14/69/68/530146968.db2.gz PWTMXMSOMNKPSM-INIZCTEOSA-N 2 2 375.539 -1.183 20 0 GAADLP C[C@H](C[NH+]1CCOCC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000538096013 530147431 /nfs/dbraw/zinc/14/74/31/530147431.db2.gz PWTMXMSOMNKPSM-MRXNPFEDSA-N 2 2 375.539 -1.183 20 0 GAADLP NS(=O)(=O)[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000543439592 530149399 /nfs/dbraw/zinc/14/93/99/530149399.db2.gz NYOLOILMNPCFDD-KBPBESRZSA-N 2 2 398.551 -1.491 20 0 GAADLP NS(=O)(=O)[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000543439592 530149396 /nfs/dbraw/zinc/14/93/96/530149396.db2.gz NYOLOILMNPCFDD-KBPBESRZSA-N 2 2 398.551 -1.491 20 0 GAADLP NS(=O)(=O)[C@@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000543439596 530149097 /nfs/dbraw/zinc/14/90/97/530149097.db2.gz NYOLOILMNPCFDD-OKILXGFUSA-N 2 2 398.551 -1.491 20 0 GAADLP NS(=O)(=O)[C@@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000543439596 530149094 /nfs/dbraw/zinc/14/90/94/530149094.db2.gz NYOLOILMNPCFDD-OKILXGFUSA-N 2 2 398.551 -1.491 20 0 GAADLP NS(=O)(=O)[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000543439596 530149090 /nfs/dbraw/zinc/14/90/90/530149090.db2.gz NYOLOILMNPCFDD-OKILXGFUSA-N 2 2 398.551 -1.491 20 0 GAADLP NS(=O)(=O)[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](S(N)(=O)=O)C2)C1 ZINC000543439596 530149082 /nfs/dbraw/zinc/14/90/82/530149082.db2.gz NYOLOILMNPCFDD-OKILXGFUSA-N 2 2 398.551 -1.491 20 0 GAADLP NS(=O)(=O)[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000543439597 530149199 /nfs/dbraw/zinc/14/91/99/530149199.db2.gz NYOLOILMNPCFDD-ZIAGYGMSSA-N 2 2 398.551 -1.491 20 0 GAADLP NS(=O)(=O)[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)C1 ZINC000543439597 530149198 /nfs/dbraw/zinc/14/91/98/530149198.db2.gz NYOLOILMNPCFDD-ZIAGYGMSSA-N 2 2 398.551 -1.491 20 0 GAADLP COc1nc(N2CC[NH+]3CCOC[C@H]3C2)nc(N2CC[N@H+]3CCOC[C@@H]3C2)n1 ZINC000543452012 1074826414 /nfs/dbraw/zinc/82/64/14/1074826414.db2.gz QBASKLLRQFSZTN-GASCZTMLSA-N 2 2 391.476 -1.078 20 0 GAADLP COc1nc(N2CC[NH+]3CCOC[C@H]3C2)nc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1 ZINC000543452012 1074826410 /nfs/dbraw/zinc/82/64/10/1074826410.db2.gz QBASKLLRQFSZTN-GASCZTMLSA-N 2 2 391.476 -1.078 20 0 GAADLP COc1nc(N2CC[N@H+]3CCOC[C@H]3C2)nc(N2CC[NH+]3CCOC[C@@H]3C2)n1 ZINC000543452012 1074826406 /nfs/dbraw/zinc/82/64/06/1074826406.db2.gz QBASKLLRQFSZTN-GASCZTMLSA-N 2 2 391.476 -1.078 20 0 GAADLP COc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(N2CC[NH+]3CCOC[C@@H]3C2)n1 ZINC000543452012 1074826404 /nfs/dbraw/zinc/82/64/04/1074826404.db2.gz QBASKLLRQFSZTN-GASCZTMLSA-N 2 2 391.476 -1.078 20 0 GAADLP COc1nc(N2CC[NH+]3CCOC[C@@H]3C2)nc(N2CC[N@H+]3CCOC[C@@H]3C2)n1 ZINC000543452020 1074826395 /nfs/dbraw/zinc/82/63/95/1074826395.db2.gz QBASKLLRQFSZTN-GJZGRUSLSA-N 2 2 391.476 -1.078 20 0 GAADLP COc1nc(N2CC[NH+]3CCOC[C@@H]3C2)nc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1 ZINC000543452020 1074826391 /nfs/dbraw/zinc/82/63/91/1074826391.db2.gz QBASKLLRQFSZTN-GJZGRUSLSA-N 2 2 391.476 -1.078 20 0 GAADLP COc1nc(N2CC[NH+]3CCOC[C@H]3C2)nc(N2CC[N@H+]3CCOC[C@H]3C2)n1 ZINC000543452023 1074826546 /nfs/dbraw/zinc/82/65/46/1074826546.db2.gz QBASKLLRQFSZTN-HUUCEWRRSA-N 2 2 391.476 -1.078 20 0 GAADLP COc1nc(N2CC[NH+]3CCOC[C@H]3C2)nc(N2CC[N@@H+]3CCOC[C@H]3C2)n1 ZINC000543452023 1074826541 /nfs/dbraw/zinc/82/65/41/1074826541.db2.gz QBASKLLRQFSZTN-HUUCEWRRSA-N 2 2 391.476 -1.078 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000550667051 1074336894 /nfs/dbraw/zinc/33/68/94/1074336894.db2.gz NJEGIIQBPPAFAY-UHFFFAOYSA-N 2 2 395.504 -1.410 20 0 GAADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550670989 1074336830 /nfs/dbraw/zinc/33/68/30/1074336830.db2.gz BAJCPZNWKCRAAL-HNNXBMFYSA-N 2 2 397.520 -1.430 20 0 GAADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550670989 1074336823 /nfs/dbraw/zinc/33/68/23/1074336823.db2.gz BAJCPZNWKCRAAL-HNNXBMFYSA-N 2 2 397.520 -1.430 20 0 GAADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550670990 1074336684 /nfs/dbraw/zinc/33/66/84/1074336684.db2.gz BAJCPZNWKCRAAL-OAHLLOKOSA-N 2 2 397.520 -1.430 20 0 GAADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000550670990 1074336676 /nfs/dbraw/zinc/33/66/76/1074336676.db2.gz BAJCPZNWKCRAAL-OAHLLOKOSA-N 2 2 397.520 -1.430 20 0 GAADLP C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000550671925 1074337188 /nfs/dbraw/zinc/33/71/88/1074337188.db2.gz ODOCPMQJYZEUNE-HNNXBMFYSA-N 2 2 397.520 -1.430 20 0 GAADLP C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000550671925 1074337180 /nfs/dbraw/zinc/33/71/80/1074337180.db2.gz ODOCPMQJYZEUNE-HNNXBMFYSA-N 2 2 397.520 -1.430 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1CC(C)(C)O ZINC000550671926 1074337347 /nfs/dbraw/zinc/33/73/47/1074337347.db2.gz ODOCPMQJYZEUNE-OAHLLOKOSA-N 2 2 397.520 -1.430 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000550671926 1074337338 /nfs/dbraw/zinc/33/73/38/1074337338.db2.gz ODOCPMQJYZEUNE-OAHLLOKOSA-N 2 2 397.520 -1.430 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000550811983 1074341793 /nfs/dbraw/zinc/34/17/93/1074341793.db2.gz FWKPFGXRHGXZSX-UHFFFAOYSA-N 2 2 383.493 -1.772 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C[NH+]1CCN(C)CC1 ZINC000551503111 1074356312 /nfs/dbraw/zinc/35/63/12/1074356312.db2.gz BTZPJXHRZCUNHA-INIZCTEOSA-N 2 2 383.537 -1.099 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)C[NH+]1CCN(C)CC1 ZINC000551503112 1074356338 /nfs/dbraw/zinc/35/63/38/1074356338.db2.gz BTZPJXHRZCUNHA-MRXNPFEDSA-N 2 2 383.537 -1.099 20 0 GAADLP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C[NH+]1CCOCC1 ZINC000552537654 1074371469 /nfs/dbraw/zinc/37/14/69/1074371469.db2.gz KXMNSPPGTDMZMS-HNNXBMFYSA-N 2 2 397.520 -1.260 20 0 GAADLP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C[NH+]1CCOCC1 ZINC000552537655 1074371294 /nfs/dbraw/zinc/37/12/94/1074371294.db2.gz KXMNSPPGTDMZMS-OAHLLOKOSA-N 2 2 397.520 -1.260 20 0 GAADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000553276891 1074381543 /nfs/dbraw/zinc/38/15/43/1074381543.db2.gz RYKDMUAPHXLVMV-CVEARBPZSA-N 2 2 386.493 -1.635 20 0 GAADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000553276891 1074381534 /nfs/dbraw/zinc/38/15/34/1074381534.db2.gz RYKDMUAPHXLVMV-CVEARBPZSA-N 2 2 386.493 -1.635 20 0 GAADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000553276892 1074381760 /nfs/dbraw/zinc/38/17/60/1074381760.db2.gz RYKDMUAPHXLVMV-HOTGVXAUSA-N 2 2 386.493 -1.635 20 0 GAADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000553276892 1074381754 /nfs/dbraw/zinc/38/17/54/1074381754.db2.gz RYKDMUAPHXLVMV-HOTGVXAUSA-N 2 2 386.493 -1.635 20 0 GAADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000553276893 1074381690 /nfs/dbraw/zinc/38/16/90/1074381690.db2.gz RYKDMUAPHXLVMV-HZPDHXFCSA-N 2 2 386.493 -1.635 20 0 GAADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000553276893 1074381686 /nfs/dbraw/zinc/38/16/86/1074381686.db2.gz RYKDMUAPHXLVMV-HZPDHXFCSA-N 2 2 386.493 -1.635 20 0 GAADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000553276894 1074381472 /nfs/dbraw/zinc/38/14/72/1074381472.db2.gz RYKDMUAPHXLVMV-JKSUJKDBSA-N 2 2 386.493 -1.635 20 0 GAADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000553276894 1074381461 /nfs/dbraw/zinc/38/14/61/1074381461.db2.gz RYKDMUAPHXLVMV-JKSUJKDBSA-N 2 2 386.493 -1.635 20 0 GAADLP CC(C)Nc1nc(NC2CC[NH+](CCC(=O)N(C)C)CC2)nc(NCCO)[nH+]1 ZINC000553386740 1074384072 /nfs/dbraw/zinc/38/40/72/1074384072.db2.gz BAUSYZLIUQVLML-UHFFFAOYSA-N 2 2 394.524 -1.284 20 0 GAADLP COc1cnc(NC[C@H]2C[NH+](C)CCN2C)nc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000553388702 1074383601 /nfs/dbraw/zinc/38/36/01/1074383601.db2.gz HEUIGRDYOCNINB-CVEARBPZSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@H]2C[NH+](C)CCN2C)nc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000553388702 1074383592 /nfs/dbraw/zinc/38/35/92/1074383592.db2.gz HEUIGRDYOCNINB-CVEARBPZSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@H]2C[N@@H+](C)CCN2C)nc1NC[C@@H]1C[NH+](C)CCN1C ZINC000553388702 1074383585 /nfs/dbraw/zinc/38/35/85/1074383585.db2.gz HEUIGRDYOCNINB-CVEARBPZSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@H]2C[N@H+](C)CCN2C)nc1NC[C@@H]1C[NH+](C)CCN1C ZINC000553388702 1074383577 /nfs/dbraw/zinc/38/35/77/1074383577.db2.gz HEUIGRDYOCNINB-CVEARBPZSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@H]2C[NH+](C)CCN2C)nc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000553388703 1074383198 /nfs/dbraw/zinc/38/31/98/1074383198.db2.gz HEUIGRDYOCNINB-HOTGVXAUSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@H]2C[NH+](C)CCN2C)nc1NC[C@H]1C[N@H+](C)CCN1C ZINC000553388703 1074383191 /nfs/dbraw/zinc/38/31/91/1074383191.db2.gz HEUIGRDYOCNINB-HOTGVXAUSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@H]2C[N@@H+](C)CCN2C)nc1NC[C@H]1C[NH+](C)CCN1C ZINC000553388703 1074383186 /nfs/dbraw/zinc/38/31/86/1074383186.db2.gz HEUIGRDYOCNINB-HOTGVXAUSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@H]2C[N@H+](C)CCN2C)nc1NC[C@H]1C[NH+](C)CCN1C ZINC000553388703 1074383175 /nfs/dbraw/zinc/38/31/75/1074383175.db2.gz HEUIGRDYOCNINB-HOTGVXAUSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@@H]2C[NH+](C)CCN2C)nc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000553388704 1074383708 /nfs/dbraw/zinc/38/37/08/1074383708.db2.gz HEUIGRDYOCNINB-HZPDHXFCSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@@H]2C[NH+](C)CCN2C)nc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000553388704 1074383705 /nfs/dbraw/zinc/38/37/05/1074383705.db2.gz HEUIGRDYOCNINB-HZPDHXFCSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@@H]2C[N@@H+](C)CCN2C)nc1NC[C@@H]1C[NH+](C)CCN1C ZINC000553388704 1074383699 /nfs/dbraw/zinc/38/36/99/1074383699.db2.gz HEUIGRDYOCNINB-HZPDHXFCSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@@H]2C[N@H+](C)CCN2C)nc1NC[C@@H]1C[NH+](C)CCN1C ZINC000553388704 1074383692 /nfs/dbraw/zinc/38/36/92/1074383692.db2.gz HEUIGRDYOCNINB-HZPDHXFCSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@@H]2C[NH+](C)CCN2C)nc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000553388705 1074383323 /nfs/dbraw/zinc/38/33/23/1074383323.db2.gz HEUIGRDYOCNINB-JKSUJKDBSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@@H]2C[NH+](C)CCN2C)nc1NC[C@H]1C[N@H+](C)CCN1C ZINC000553388705 1074383312 /nfs/dbraw/zinc/38/33/12/1074383312.db2.gz HEUIGRDYOCNINB-JKSUJKDBSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@@H]2C[N@@H+](C)CCN2C)nc1NC[C@H]1C[NH+](C)CCN1C ZINC000553388705 1074383302 /nfs/dbraw/zinc/38/33/02/1074383302.db2.gz HEUIGRDYOCNINB-JKSUJKDBSA-N 2 2 392.552 -1.356 20 0 GAADLP COc1cnc(NC[C@@H]2C[N@H+](C)CCN2C)nc1NC[C@H]1C[NH+](C)CCN1C ZINC000553388705 1074383292 /nfs/dbraw/zinc/38/32/92/1074383292.db2.gz HEUIGRDYOCNINB-JKSUJKDBSA-N 2 2 392.552 -1.356 20 0 GAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000553394167 1074383653 /nfs/dbraw/zinc/38/36/53/1074383653.db2.gz IAQDQJXZKGSBIR-HNNXBMFYSA-N 2 2 383.493 -1.554 20 0 GAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000553394167 1074383644 /nfs/dbraw/zinc/38/36/44/1074383644.db2.gz IAQDQJXZKGSBIR-HNNXBMFYSA-N 2 2 383.493 -1.554 20 0 GAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000553394173 1074383444 /nfs/dbraw/zinc/38/34/44/1074383444.db2.gz IAQDQJXZKGSBIR-OAHLLOKOSA-N 2 2 383.493 -1.554 20 0 GAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000553394173 1074383438 /nfs/dbraw/zinc/38/34/38/1074383438.db2.gz IAQDQJXZKGSBIR-OAHLLOKOSA-N 2 2 383.493 -1.554 20 0 GAADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000553396600 1074384291 /nfs/dbraw/zinc/38/42/91/1074384291.db2.gz AJWZMUAPPKOPJF-CABCVRRESA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000553396600 1074384281 /nfs/dbraw/zinc/38/42/81/1074384281.db2.gz AJWZMUAPPKOPJF-CABCVRRESA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000553396600 1074384270 /nfs/dbraw/zinc/38/42/70/1074384270.db2.gz AJWZMUAPPKOPJF-CABCVRRESA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000553396600 1074384260 /nfs/dbraw/zinc/38/42/60/1074384260.db2.gz AJWZMUAPPKOPJF-CABCVRRESA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000553396601 1074384163 /nfs/dbraw/zinc/38/41/63/1074384163.db2.gz AJWZMUAPPKOPJF-GJZGRUSLSA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000553396601 1074384153 /nfs/dbraw/zinc/38/41/53/1074384153.db2.gz AJWZMUAPPKOPJF-GJZGRUSLSA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000553396601 1074384142 /nfs/dbraw/zinc/38/41/42/1074384142.db2.gz AJWZMUAPPKOPJF-GJZGRUSLSA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000553396601 1074384131 /nfs/dbraw/zinc/38/41/31/1074384131.db2.gz AJWZMUAPPKOPJF-GJZGRUSLSA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000553396602 1074384037 /nfs/dbraw/zinc/38/40/37/1074384037.db2.gz AJWZMUAPPKOPJF-HUUCEWRRSA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C1 ZINC000553396602 1074384026 /nfs/dbraw/zinc/38/40/26/1074384026.db2.gz AJWZMUAPPKOPJF-HUUCEWRRSA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000553396602 1074384017 /nfs/dbraw/zinc/38/40/17/1074384017.db2.gz AJWZMUAPPKOPJF-HUUCEWRRSA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)OC)C[C@H]2C)C1 ZINC000553396602 1074384009 /nfs/dbraw/zinc/38/40/09/1074384009.db2.gz AJWZMUAPPKOPJF-HUUCEWRRSA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000553396603 1074384375 /nfs/dbraw/zinc/38/43/75/1074384375.db2.gz AJWZMUAPPKOPJF-LSDHHAIUSA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000553396603 1074384366 /nfs/dbraw/zinc/38/43/66/1074384366.db2.gz AJWZMUAPPKOPJF-LSDHHAIUSA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000553396603 1074384353 /nfs/dbraw/zinc/38/43/53/1074384353.db2.gz AJWZMUAPPKOPJF-LSDHHAIUSA-N 2 2 384.477 -1.081 20 0 GAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCC(=O)OC)C[C@@H]2C)C1 ZINC000553396603 1074384345 /nfs/dbraw/zinc/38/43/45/1074384345.db2.gz AJWZMUAPPKOPJF-LSDHHAIUSA-N 2 2 384.477 -1.081 20 0 GAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000553698723 1074386516 /nfs/dbraw/zinc/38/65/16/1074386516.db2.gz CHTOKRMOMHWUDY-GDBMZVCRSA-N 2 2 395.504 -1.236 20 0 GAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000553698723 1074386504 /nfs/dbraw/zinc/38/65/04/1074386504.db2.gz CHTOKRMOMHWUDY-GDBMZVCRSA-N 2 2 395.504 -1.236 20 0 GAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000553698723 1074386493 /nfs/dbraw/zinc/38/64/93/1074386493.db2.gz CHTOKRMOMHWUDY-GDBMZVCRSA-N 2 2 395.504 -1.236 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000553698723 1074386490 /nfs/dbraw/zinc/38/64/90/1074386490.db2.gz CHTOKRMOMHWUDY-GDBMZVCRSA-N 2 2 395.504 -1.236 20 0 GAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000553698724 1074386618 /nfs/dbraw/zinc/38/66/18/1074386618.db2.gz CHTOKRMOMHWUDY-GOEBONIOSA-N 2 2 395.504 -1.236 20 0 GAADLP C[NH+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000553698724 1074386612 /nfs/dbraw/zinc/38/66/12/1074386612.db2.gz CHTOKRMOMHWUDY-GOEBONIOSA-N 2 2 395.504 -1.236 20 0 GAADLP C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000553698724 1074386604 /nfs/dbraw/zinc/38/66/04/1074386604.db2.gz CHTOKRMOMHWUDY-GOEBONIOSA-N 2 2 395.504 -1.236 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000553698724 1074386595 /nfs/dbraw/zinc/38/65/95/1074386595.db2.gz CHTOKRMOMHWUDY-GOEBONIOSA-N 2 2 395.504 -1.236 20 0 GAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000553698725 1074386224 /nfs/dbraw/zinc/38/62/24/1074386224.db2.gz CHTOKRMOMHWUDY-HOCLYGCPSA-N 2 2 395.504 -1.236 20 0 GAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000553698725 1074386219 /nfs/dbraw/zinc/38/62/19/1074386219.db2.gz CHTOKRMOMHWUDY-HOCLYGCPSA-N 2 2 395.504 -1.236 20 0 GAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000553698725 1074386210 /nfs/dbraw/zinc/38/62/10/1074386210.db2.gz CHTOKRMOMHWUDY-HOCLYGCPSA-N 2 2 395.504 -1.236 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000553698725 1074386203 /nfs/dbraw/zinc/38/62/03/1074386203.db2.gz CHTOKRMOMHWUDY-HOCLYGCPSA-N 2 2 395.504 -1.236 20 0 GAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCO1 ZINC000553698726 1074386417 /nfs/dbraw/zinc/38/64/17/1074386417.db2.gz CHTOKRMOMHWUDY-ZBFHGGJFSA-N 2 2 395.504 -1.236 20 0 GAADLP C[NH+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCO1 ZINC000553698726 1074386411 /nfs/dbraw/zinc/38/64/11/1074386411.db2.gz CHTOKRMOMHWUDY-ZBFHGGJFSA-N 2 2 395.504 -1.236 20 0 GAADLP C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000553698726 1074386405 /nfs/dbraw/zinc/38/64/05/1074386405.db2.gz CHTOKRMOMHWUDY-ZBFHGGJFSA-N 2 2 395.504 -1.236 20 0 GAADLP C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CCO1 ZINC000553698726 1074386400 /nfs/dbraw/zinc/38/64/00/1074386400.db2.gz CHTOKRMOMHWUDY-ZBFHGGJFSA-N 2 2 395.504 -1.236 20 0 GAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@H](C)C1 ZINC000554040278 1074388998 /nfs/dbraw/zinc/38/89/98/1074388998.db2.gz JJWVQFNNWNTHAP-CABCVRRESA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)[C@H](C)C1 ZINC000554040278 1074388987 /nfs/dbraw/zinc/38/89/87/1074388987.db2.gz JJWVQFNNWNTHAP-CABCVRRESA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC000554040278 1074388974 /nfs/dbraw/zinc/38/89/74/1074388974.db2.gz JJWVQFNNWNTHAP-CABCVRRESA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC000554040278 1074388963 /nfs/dbraw/zinc/38/89/63/1074388963.db2.gz JJWVQFNNWNTHAP-CABCVRRESA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)[C@@H](C)C1 ZINC000554040279 1074388801 /nfs/dbraw/zinc/38/88/01/1074388801.db2.gz JJWVQFNNWNTHAP-GJZGRUSLSA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)[C@@H](C)C1 ZINC000554040279 1074388796 /nfs/dbraw/zinc/38/87/96/1074388796.db2.gz JJWVQFNNWNTHAP-GJZGRUSLSA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC000554040279 1074388791 /nfs/dbraw/zinc/38/87/91/1074388791.db2.gz JJWVQFNNWNTHAP-GJZGRUSLSA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC000554040279 1074388785 /nfs/dbraw/zinc/38/87/85/1074388785.db2.gz JJWVQFNNWNTHAP-GJZGRUSLSA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@H](C)C1 ZINC000554040280 1074388663 /nfs/dbraw/zinc/38/86/63/1074388663.db2.gz JJWVQFNNWNTHAP-HUUCEWRRSA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)[C@H](C)C1 ZINC000554040280 1074388653 /nfs/dbraw/zinc/38/86/53/1074388653.db2.gz JJWVQFNNWNTHAP-HUUCEWRRSA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC000554040280 1074388646 /nfs/dbraw/zinc/38/86/46/1074388646.db2.gz JJWVQFNNWNTHAP-HUUCEWRRSA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@H](C)C1 ZINC000554040280 1074388638 /nfs/dbraw/zinc/38/86/38/1074388638.db2.gz JJWVQFNNWNTHAP-HUUCEWRRSA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@@H](C)C1 ZINC000554040281 1074388751 /nfs/dbraw/zinc/38/87/51/1074388751.db2.gz JJWVQFNNWNTHAP-LSDHHAIUSA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)[C@@H](C)C1 ZINC000554040281 1074388743 /nfs/dbraw/zinc/38/87/43/1074388743.db2.gz JJWVQFNNWNTHAP-LSDHHAIUSA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC000554040281 1074388733 /nfs/dbraw/zinc/38/87/33/1074388733.db2.gz JJWVQFNNWNTHAP-LSDHHAIUSA-N 2 2 383.493 -1.556 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@@H](C)C1 ZINC000554040281 1074388728 /nfs/dbraw/zinc/38/87/28/1074388728.db2.gz JJWVQFNNWNTHAP-LSDHHAIUSA-N 2 2 383.493 -1.556 20 0 GAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000554044793 1074389383 /nfs/dbraw/zinc/38/93/83/1074389383.db2.gz XJHFGEPFBMXDDQ-DLBZAZTESA-N 2 2 381.521 -1.081 20 0 GAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000554044793 1074389368 /nfs/dbraw/zinc/38/93/68/1074389368.db2.gz XJHFGEPFBMXDDQ-DLBZAZTESA-N 2 2 381.521 -1.081 20 0 GAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000554044797 1074389427 /nfs/dbraw/zinc/38/94/27/1074389427.db2.gz XJHFGEPFBMXDDQ-IRXDYDNUSA-N 2 2 381.521 -1.081 20 0 GAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000554044797 1074389421 /nfs/dbraw/zinc/38/94/21/1074389421.db2.gz XJHFGEPFBMXDDQ-IRXDYDNUSA-N 2 2 381.521 -1.081 20 0 GAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000554344751 1074394975 /nfs/dbraw/zinc/39/49/75/1074394975.db2.gz XJHFGEPFBMXDDQ-IAGOWNOFSA-N 2 2 381.521 -1.081 20 0 GAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000554344751 1074394967 /nfs/dbraw/zinc/39/49/67/1074394967.db2.gz XJHFGEPFBMXDDQ-IAGOWNOFSA-N 2 2 381.521 -1.081 20 0 GAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000554344752 1074394853 /nfs/dbraw/zinc/39/48/53/1074394853.db2.gz XJHFGEPFBMXDDQ-SJORKVTESA-N 2 2 381.521 -1.081 20 0 GAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000554344752 1074394844 /nfs/dbraw/zinc/39/48/44/1074394844.db2.gz XJHFGEPFBMXDDQ-SJORKVTESA-N 2 2 381.521 -1.081 20 0 GAADLP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000554866850 1074399348 /nfs/dbraw/zinc/39/93/48/1074399348.db2.gz MIAXUCJPSCNLTB-BEFAXECRSA-N 2 2 380.489 -1.260 20 0 GAADLP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000554866853 1074399411 /nfs/dbraw/zinc/39/94/11/1074399411.db2.gz MIAXUCJPSCNLTB-DNVCBOLYSA-N 2 2 380.489 -1.260 20 0 GAADLP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000554866854 1074399451 /nfs/dbraw/zinc/39/94/51/1074399451.db2.gz MIAXUCJPSCNLTB-HNAYVOBHSA-N 2 2 380.489 -1.260 20 0 GAADLP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000554866855 1074399313 /nfs/dbraw/zinc/39/93/13/1074399313.db2.gz MIAXUCJPSCNLTB-KXBFYZLASA-N 2 2 380.489 -1.260 20 0 GAADLP C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)NCC[NH+](C)C ZINC000554874339 1074399398 /nfs/dbraw/zinc/39/93/98/1074399398.db2.gz VOWBHSIJKTUESW-CABCVRRESA-N 2 2 383.493 -1.650 20 0 GAADLP C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)NCC[NH+](C)C ZINC000554874356 1074399363 /nfs/dbraw/zinc/39/93/63/1074399363.db2.gz VOWBHSIJKTUESW-GJZGRUSLSA-N 2 2 383.493 -1.650 20 0 GAADLP C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)NCC[NH+](C)C ZINC000554874357 1074399268 /nfs/dbraw/zinc/39/92/68/1074399268.db2.gz VOWBHSIJKTUESW-HUUCEWRRSA-N 2 2 383.493 -1.650 20 0 GAADLP C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)NCC[NH+](C)C ZINC000554874358 1074399372 /nfs/dbraw/zinc/39/93/72/1074399372.db2.gz VOWBHSIJKTUESW-LSDHHAIUSA-N 2 2 383.493 -1.650 20 0 GAADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000555766521 1074412329 /nfs/dbraw/zinc/41/23/29/1074412329.db2.gz WENUYOKIRIGHEJ-HNNXBMFYSA-N 2 2 383.493 -1.379 20 0 GAADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000555766521 1074412324 /nfs/dbraw/zinc/41/23/24/1074412324.db2.gz WENUYOKIRIGHEJ-HNNXBMFYSA-N 2 2 383.493 -1.379 20 0 GAADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)CC1 ZINC000555766522 1074412309 /nfs/dbraw/zinc/41/23/09/1074412309.db2.gz WENUYOKIRIGHEJ-OAHLLOKOSA-N 2 2 383.493 -1.379 20 0 GAADLP CCC[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)CC1 ZINC000555766522 1074412301 /nfs/dbraw/zinc/41/23/01/1074412301.db2.gz WENUYOKIRIGHEJ-OAHLLOKOSA-N 2 2 383.493 -1.379 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000556077409 1074656560 /nfs/dbraw/zinc/65/65/60/1074656560.db2.gz GSPVQRKQOLWAQT-INIZCTEOSA-N 2 2 395.504 -1.553 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000556077411 1074656529 /nfs/dbraw/zinc/65/65/29/1074656529.db2.gz GSPVQRKQOLWAQT-MRXNPFEDSA-N 2 2 395.504 -1.553 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000556186341 1074659478 /nfs/dbraw/zinc/65/94/78/1074659478.db2.gz BSARASDPRJHRBN-AWEZNQCLSA-N 2 2 397.520 -1.383 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000556186341 1074659473 /nfs/dbraw/zinc/65/94/73/1074659473.db2.gz BSARASDPRJHRBN-AWEZNQCLSA-N 2 2 397.520 -1.383 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000556186352 1074659341 /nfs/dbraw/zinc/65/93/41/1074659341.db2.gz BSARASDPRJHRBN-CQSZACIVSA-N 2 2 397.520 -1.383 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000556186352 1074659336 /nfs/dbraw/zinc/65/93/36/1074659336.db2.gz BSARASDPRJHRBN-CQSZACIVSA-N 2 2 397.520 -1.383 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000556187448 1074659368 /nfs/dbraw/zinc/65/93/68/1074659368.db2.gz AOPRFJFOUPERML-AWEZNQCLSA-N 2 2 397.520 -1.383 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000556187448 1074659364 /nfs/dbraw/zinc/65/93/64/1074659364.db2.gz AOPRFJFOUPERML-AWEZNQCLSA-N 2 2 397.520 -1.383 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000556187449 1074659496 /nfs/dbraw/zinc/65/94/96/1074659496.db2.gz AOPRFJFOUPERML-CQSZACIVSA-N 2 2 397.520 -1.383 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000556187449 1074659493 /nfs/dbraw/zinc/65/94/93/1074659493.db2.gz AOPRFJFOUPERML-CQSZACIVSA-N 2 2 397.520 -1.383 20 0 GAADLP O=C(CNC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)N1CC[NH2+]CC1 ZINC000557245674 1075692306 /nfs/dbraw/zinc/69/23/06/1075692306.db2.gz XRUFHDWIHRXASN-UHFFFAOYSA-N 2 2 379.486 -1.230 20 0 GAADLP O=C(CNC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)N1CC[NH2+]CC1 ZINC000557245674 1075692303 /nfs/dbraw/zinc/69/23/03/1075692303.db2.gz XRUFHDWIHRXASN-UHFFFAOYSA-N 2 2 379.486 -1.230 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+]1CCOCC1 ZINC000557248965 1075692236 /nfs/dbraw/zinc/69/22/36/1075692236.db2.gz BAAOFNNBRHLXPF-INIZCTEOSA-N 2 2 397.520 -1.307 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)C[NH+]1CCOCC1 ZINC000557248968 1075692265 /nfs/dbraw/zinc/69/22/65/1075692265.db2.gz BAAOFNNBRHLXPF-MRXNPFEDSA-N 2 2 397.520 -1.307 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557255447 1075692635 /nfs/dbraw/zinc/69/26/35/1075692635.db2.gz MQXKGGJYFFMSGG-HNNXBMFYSA-N 2 2 383.493 -1.519 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000557255447 1075692631 /nfs/dbraw/zinc/69/26/31/1075692631.db2.gz MQXKGGJYFFMSGG-HNNXBMFYSA-N 2 2 383.493 -1.519 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557255452 1075692625 /nfs/dbraw/zinc/69/26/25/1075692625.db2.gz MQXKGGJYFFMSGG-OAHLLOKOSA-N 2 2 383.493 -1.519 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000557255452 1075692622 /nfs/dbraw/zinc/69/26/22/1075692622.db2.gz MQXKGGJYFFMSGG-OAHLLOKOSA-N 2 2 383.493 -1.519 20 0 GAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000557442977 1075694758 /nfs/dbraw/zinc/69/47/58/1075694758.db2.gz SMPCXBWOFDSHSR-UHFFFAOYSA-N 2 2 397.520 -1.430 20 0 GAADLP CSCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000558146019 530075389 /nfs/dbraw/zinc/07/53/89/530075389.db2.gz MTTPACBXTRRXJV-CYBMUJFWSA-N 2 2 379.552 -1.297 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000559330645 1075702403 /nfs/dbraw/zinc/70/24/03/1075702403.db2.gz YKTQPAUATWFCIB-UHFFFAOYSA-N 2 2 397.520 -1.068 20 0 GAADLP COCC[N@@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000559638250 1075703671 /nfs/dbraw/zinc/70/36/71/1075703671.db2.gz QTKCRQADNNSOHI-INIZCTEOSA-N 2 2 393.554 -1.965 20 0 GAADLP COCC[N@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000559638250 1075703665 /nfs/dbraw/zinc/70/36/65/1075703665.db2.gz QTKCRQADNNSOHI-INIZCTEOSA-N 2 2 393.554 -1.965 20 0 GAADLP COCC[N@@H+](C)C[C@@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000559638253 1075703636 /nfs/dbraw/zinc/70/36/36/1075703636.db2.gz QTKCRQADNNSOHI-MRXNPFEDSA-N 2 2 393.554 -1.965 20 0 GAADLP COCC[N@H+](C)C[C@@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000559638253 1075703628 /nfs/dbraw/zinc/70/36/28/1075703628.db2.gz QTKCRQADNNSOHI-MRXNPFEDSA-N 2 2 393.554 -1.965 20 0 GAADLP C[NH+](C)CCN1CCC(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000559664240 1075703731 /nfs/dbraw/zinc/70/37/31/1075703731.db2.gz NASTUWQHTIYRIA-UHFFFAOYSA-N 2 2 396.536 -1.591 20 0 GAADLP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000559754418 1075703926 /nfs/dbraw/zinc/70/39/26/1075703926.db2.gz UIYUFCBVGJXLAQ-HOTGVXAUSA-N 2 2 397.520 -1.118 20 0 GAADLP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000559754419 1075703944 /nfs/dbraw/zinc/70/39/44/1075703944.db2.gz UIYUFCBVGJXLAQ-HZPDHXFCSA-N 2 2 397.520 -1.118 20 0 GAADLP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000559754420 1075704193 /nfs/dbraw/zinc/70/41/93/1075704193.db2.gz UIYUFCBVGJXLAQ-IYBDPMFKSA-N 2 2 397.520 -1.118 20 0 GAADLP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000559754420 1075704187 /nfs/dbraw/zinc/70/41/87/1075704187.db2.gz UIYUFCBVGJXLAQ-IYBDPMFKSA-N 2 2 397.520 -1.118 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000559848492 1075704758 /nfs/dbraw/zinc/70/47/58/1075704758.db2.gz FTJOUYLINTXGEZ-GASCZTMLSA-N 2 2 397.520 -1.072 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000559848492 1075704754 /nfs/dbraw/zinc/70/47/54/1075704754.db2.gz FTJOUYLINTXGEZ-GASCZTMLSA-N 2 2 397.520 -1.072 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000559848493 1075704659 /nfs/dbraw/zinc/70/46/59/1075704659.db2.gz FTJOUYLINTXGEZ-GJZGRUSLSA-N 2 2 397.520 -1.072 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000559848494 1075704511 /nfs/dbraw/zinc/70/45/11/1075704511.db2.gz FTJOUYLINTXGEZ-HUUCEWRRSA-N 2 2 397.520 -1.072 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000559848681 1075704542 /nfs/dbraw/zinc/70/45/42/1075704542.db2.gz CVTGYQVEKVACFL-INIZCTEOSA-N 2 2 397.520 -1.214 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000559848681 1075704538 /nfs/dbraw/zinc/70/45/38/1075704538.db2.gz CVTGYQVEKVACFL-INIZCTEOSA-N 2 2 397.520 -1.214 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000559848682 1075704624 /nfs/dbraw/zinc/70/46/24/1075704624.db2.gz CVTGYQVEKVACFL-MRXNPFEDSA-N 2 2 397.520 -1.214 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000559848682 1075704617 /nfs/dbraw/zinc/70/46/17/1075704617.db2.gz CVTGYQVEKVACFL-MRXNPFEDSA-N 2 2 397.520 -1.214 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559863736 1075704938 /nfs/dbraw/zinc/70/49/38/1075704938.db2.gz KDPVAOFTNGXQLF-PBHICJAKSA-N 2 2 388.534 -1.309 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559863737 1075704978 /nfs/dbraw/zinc/70/49/78/1075704978.db2.gz KDPVAOFTNGXQLF-RHSMWYFYSA-N 2 2 388.534 -1.309 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000559863738 1075705015 /nfs/dbraw/zinc/70/50/15/1075705015.db2.gz KDPVAOFTNGXQLF-WMLDXEAASA-N 2 2 388.534 -1.309 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000559863739 1075705368 /nfs/dbraw/zinc/70/53/68/1075705368.db2.gz KDPVAOFTNGXQLF-YOEHRIQHSA-N 2 2 388.534 -1.309 20 0 GAADLP C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000560031578 1075705696 /nfs/dbraw/zinc/70/56/96/1075705696.db2.gz BJMQUDHMVNNRLB-INIZCTEOSA-N 2 2 396.536 -1.734 20 0 GAADLP C[C@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C[NH+]1CCN(C)CC1 ZINC000560031579 1075705802 /nfs/dbraw/zinc/70/58/02/1075705802.db2.gz BJMQUDHMVNNRLB-MRXNPFEDSA-N 2 2 396.536 -1.734 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000561046725 1075710200 /nfs/dbraw/zinc/71/02/00/1075710200.db2.gz NXXRLWLDRPSJSB-INIZCTEOSA-N 2 2 397.520 -1.164 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000561046725 1075710194 /nfs/dbraw/zinc/71/01/94/1075710194.db2.gz NXXRLWLDRPSJSB-INIZCTEOSA-N 2 2 397.520 -1.164 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000561046726 1075710269 /nfs/dbraw/zinc/71/02/69/1075710269.db2.gz NXXRLWLDRPSJSB-MRXNPFEDSA-N 2 2 397.520 -1.164 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000561046726 1075710264 /nfs/dbraw/zinc/71/02/64/1075710264.db2.gz NXXRLWLDRPSJSB-MRXNPFEDSA-N 2 2 397.520 -1.164 20 0 GAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000561757819 1075713686 /nfs/dbraw/zinc/71/36/86/1075713686.db2.gz KIAMDOFGPFYNQJ-UHFFFAOYSA-N 2 2 385.534 -1.180 20 0 GAADLP [NH3+]CC(=O)NCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000561923510 1075714676 /nfs/dbraw/zinc/71/46/76/1075714676.db2.gz JMMMPLJKRFIICR-UHFFFAOYSA-N 2 2 384.462 -2.276 20 0 GAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000562008291 1075715006 /nfs/dbraw/zinc/71/50/06/1075715006.db2.gz BVQXCDUQKBUXSY-HNNXBMFYSA-N 2 2 382.509 -2.029 20 0 GAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000562008291 1075715001 /nfs/dbraw/zinc/71/50/01/1075715001.db2.gz BVQXCDUQKBUXSY-HNNXBMFYSA-N 2 2 382.509 -2.029 20 0 GAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000562008295 1075714831 /nfs/dbraw/zinc/71/48/31/1075714831.db2.gz BVQXCDUQKBUXSY-OAHLLOKOSA-N 2 2 382.509 -2.029 20 0 GAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000562008295 1075714823 /nfs/dbraw/zinc/71/48/23/1075714823.db2.gz BVQXCDUQKBUXSY-OAHLLOKOSA-N 2 2 382.509 -2.029 20 0 GAADLP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000562010282 1075714924 /nfs/dbraw/zinc/71/49/24/1075714924.db2.gz PBLBFIYFTKMTQV-KRWDZBQOSA-N 2 2 382.553 -1.167 20 0 GAADLP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000562010282 1075714919 /nfs/dbraw/zinc/71/49/19/1075714919.db2.gz PBLBFIYFTKMTQV-KRWDZBQOSA-N 2 2 382.553 -1.167 20 0 GAADLP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000562010283 1075714964 /nfs/dbraw/zinc/71/49/64/1075714964.db2.gz PBLBFIYFTKMTQV-QGZVFWFLSA-N 2 2 382.553 -1.167 20 0 GAADLP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000562010283 1075714960 /nfs/dbraw/zinc/71/49/60/1075714960.db2.gz PBLBFIYFTKMTQV-QGZVFWFLSA-N 2 2 382.553 -1.167 20 0 GAADLP CCC(CC)[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000562822720 1075719148 /nfs/dbraw/zinc/71/91/48/1075719148.db2.gz WTHCGZDMYWQIQC-INIZCTEOSA-N 2 2 397.520 -1.212 20 0 GAADLP CCC(CC)[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000562822737 1075719106 /nfs/dbraw/zinc/71/91/06/1075719106.db2.gz WTHCGZDMYWQIQC-MRXNPFEDSA-N 2 2 397.520 -1.212 20 0 GAADLP O=C(NCCN1CC[NH2+]CC1)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000562828459 1075719383 /nfs/dbraw/zinc/71/93/83/1075719383.db2.gz YQVOGNMSZFYLGF-UHFFFAOYSA-N 2 2 388.516 -1.054 20 0 GAADLP C[N@H+]1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000563568326 530093181 /nfs/dbraw/zinc/09/31/81/530093181.db2.gz FHBROCINIRYGRL-KBPBESRZSA-N 2 2 377.511 -1.241 20 0 GAADLP C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000563568326 530093178 /nfs/dbraw/zinc/09/31/78/530093178.db2.gz FHBROCINIRYGRL-KBPBESRZSA-N 2 2 377.511 -1.241 20 0 GAADLP C[N@H+]1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000563568331 530092870 /nfs/dbraw/zinc/09/28/70/530092870.db2.gz FHBROCINIRYGRL-KGLIPLIRSA-N 2 2 377.511 -1.241 20 0 GAADLP C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000563568331 530092869 /nfs/dbraw/zinc/09/28/69/530092869.db2.gz FHBROCINIRYGRL-KGLIPLIRSA-N 2 2 377.511 -1.241 20 0 GAADLP C[N@H+]1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000563568333 530092890 /nfs/dbraw/zinc/09/28/90/530092890.db2.gz FHBROCINIRYGRL-UONOGXRCSA-N 2 2 377.511 -1.241 20 0 GAADLP C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000563568333 530092889 /nfs/dbraw/zinc/09/28/89/530092889.db2.gz FHBROCINIRYGRL-UONOGXRCSA-N 2 2 377.511 -1.241 20 0 GAADLP C[N@H+]1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000563568334 530092897 /nfs/dbraw/zinc/09/28/97/530092897.db2.gz FHBROCINIRYGRL-ZIAGYGMSSA-N 2 2 377.511 -1.241 20 0 GAADLP C[N@@H+]1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000563568334 530092896 /nfs/dbraw/zinc/09/28/96/530092896.db2.gz FHBROCINIRYGRL-ZIAGYGMSSA-N 2 2 377.511 -1.241 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000564230089 1075726473 /nfs/dbraw/zinc/72/64/73/1075726473.db2.gz BAOOFZUJQNZUAE-UHFFFAOYSA-N 2 2 383.493 -1.505 20 0 GAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCN2C1=O ZINC000565239215 1075729743 /nfs/dbraw/zinc/72/97/43/1075729743.db2.gz KEGSXURTUDHTSY-QLFBSQMISA-N 2 2 379.461 -2.063 20 0 GAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCN2C1=O ZINC000565239220 1075729728 /nfs/dbraw/zinc/72/97/28/1075729728.db2.gz KEGSXURTUDHTSY-RBSFLKMASA-N 2 2 379.461 -2.063 20 0 GAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCN2C1=O ZINC000565239221 1075729816 /nfs/dbraw/zinc/72/98/16/1075729816.db2.gz KEGSXURTUDHTSY-RRFJBIMHSA-N 2 2 379.461 -2.063 20 0 GAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCN2C1=O ZINC000565239222 1075729784 /nfs/dbraw/zinc/72/97/84/1075729784.db2.gz KEGSXURTUDHTSY-SOUVJXGZSA-N 2 2 379.461 -2.063 20 0 GAADLP Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000566244604 1075733290 /nfs/dbraw/zinc/73/32/90/1075733290.db2.gz DDNHSRGWEIJQSL-GFCCVEGCSA-N 2 2 392.460 -2.007 20 0 GAADLP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000566244604 1075733287 /nfs/dbraw/zinc/73/32/87/1075733287.db2.gz DDNHSRGWEIJQSL-GFCCVEGCSA-N 2 2 392.460 -2.007 20 0 GAADLP Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000566244605 1075733323 /nfs/dbraw/zinc/73/33/23/1075733323.db2.gz DDNHSRGWEIJQSL-LBPRGKRZSA-N 2 2 392.460 -2.007 20 0 GAADLP Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(=O)n(C)c1=O ZINC000566244605 1075733321 /nfs/dbraw/zinc/73/33/21/1075733321.db2.gz DDNHSRGWEIJQSL-LBPRGKRZSA-N 2 2 392.460 -2.007 20 0 GAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000566842075 1075735214 /nfs/dbraw/zinc/73/52/14/1075735214.db2.gz QBHXXUVONLTFMC-UHFFFAOYSA-N 3 2 398.552 -1.439 20 0 GAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566855876 1075735528 /nfs/dbraw/zinc/73/55/28/1075735528.db2.gz FYTYKRJYRLNIBN-NEPJUHHUSA-N 2 2 379.461 -1.075 20 0 GAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566855876 1075735521 /nfs/dbraw/zinc/73/55/21/1075735521.db2.gz FYTYKRJYRLNIBN-NEPJUHHUSA-N 2 2 379.461 -1.075 20 0 GAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566855879 1075735563 /nfs/dbraw/zinc/73/55/63/1075735563.db2.gz FYTYKRJYRLNIBN-NWDGAFQWSA-N 2 2 379.461 -1.075 20 0 GAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566855879 1075735557 /nfs/dbraw/zinc/73/55/57/1075735557.db2.gz FYTYKRJYRLNIBN-NWDGAFQWSA-N 2 2 379.461 -1.075 20 0 GAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566855880 1075735576 /nfs/dbraw/zinc/73/55/76/1075735576.db2.gz FYTYKRJYRLNIBN-RYUDHWBXSA-N 2 2 379.461 -1.075 20 0 GAADLP C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566855880 1075735571 /nfs/dbraw/zinc/73/55/71/1075735571.db2.gz FYTYKRJYRLNIBN-RYUDHWBXSA-N 2 2 379.461 -1.075 20 0 GAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566855881 1075735505 /nfs/dbraw/zinc/73/55/05/1075735505.db2.gz FYTYKRJYRLNIBN-VXGBXAGGSA-N 2 2 379.461 -1.075 20 0 GAADLP C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566855881 1075735499 /nfs/dbraw/zinc/73/54/99/1075735499.db2.gz FYTYKRJYRLNIBN-VXGBXAGGSA-N 2 2 379.461 -1.075 20 0 GAADLP C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000566931410 1075735753 /nfs/dbraw/zinc/73/57/53/1075735753.db2.gz RLEWQWGOPBDJAW-CVEARBPZSA-N 2 2 386.493 -1.778 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000566931413 1075735947 /nfs/dbraw/zinc/73/59/47/1075735947.db2.gz RLEWQWGOPBDJAW-HOTGVXAUSA-N 2 2 386.493 -1.778 20 0 GAADLP C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000566931414 1075735967 /nfs/dbraw/zinc/73/59/67/1075735967.db2.gz RLEWQWGOPBDJAW-HZPDHXFCSA-N 2 2 386.493 -1.778 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C[NH+]1CCOCC1 ZINC000566931415 1075735801 /nfs/dbraw/zinc/73/58/01/1075735801.db2.gz RLEWQWGOPBDJAW-JKSUJKDBSA-N 2 2 386.493 -1.778 20 0 GAADLP O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NC1C[NH2+]C1 ZINC000566964057 1075735961 /nfs/dbraw/zinc/73/59/61/1075735961.db2.gz CHGDEIDSIXOVML-UHFFFAOYSA-N 2 2 396.473 -2.262 20 0 GAADLP C[NH+]1CCN(C(=O)C2CC[NH+]([C@H]3CC(=O)N(CCOCCO)C3=O)CC2)CC1 ZINC000567091794 1075736956 /nfs/dbraw/zinc/73/69/56/1075736956.db2.gz FVDGRRXHMOXCCW-INIZCTEOSA-N 2 2 396.488 -1.391 20 0 GAADLP C[NH+]1CCN(C(=O)C2CC[NH+]([C@@H]3CC(=O)N(CCOCCO)C3=O)CC2)CC1 ZINC000567091795 1075736928 /nfs/dbraw/zinc/73/69/28/1075736928.db2.gz FVDGRRXHMOXCCW-MRXNPFEDSA-N 2 2 396.488 -1.391 20 0 GAADLP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000568388791 1075741226 /nfs/dbraw/zinc/74/12/26/1075741226.db2.gz UCVGJYOSFZQNTM-CYBMUJFWSA-N 2 2 391.494 -2.097 20 0 GAADLP COC(=O)CC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000568388792 1075741312 /nfs/dbraw/zinc/74/13/12/1075741312.db2.gz UCVGJYOSFZQNTM-ZDUSSCGKSA-N 2 2 391.494 -2.097 20 0 GAADLP Cn1cc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C[C@H]2[NH3+])cn1 ZINC000568399459 1075741201 /nfs/dbraw/zinc/74/12/01/1075741201.db2.gz OLSIKEWKVMRHOO-BHYGNILZSA-N 2 2 390.488 -1.146 20 0 GAADLP Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C[C@H]2[NH3+])cn1 ZINC000568399460 1075741267 /nfs/dbraw/zinc/74/12/67/1075741267.db2.gz OLSIKEWKVMRHOO-HYVNUMGLSA-N 2 2 390.488 -1.146 20 0 GAADLP C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000568415199 530156555 /nfs/dbraw/zinc/15/65/55/530156555.db2.gz KXWGSJCBNFXVPQ-GFCCVEGCSA-N 2 2 395.507 -1.130 20 0 GAADLP C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000568415199 530156551 /nfs/dbraw/zinc/15/65/51/530156551.db2.gz KXWGSJCBNFXVPQ-GFCCVEGCSA-N 2 2 395.507 -1.130 20 0 GAADLP C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000568415200 530156475 /nfs/dbraw/zinc/15/64/75/530156475.db2.gz KXWGSJCBNFXVPQ-LBPRGKRZSA-N 2 2 395.507 -1.130 20 0 GAADLP C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c[nH]1 ZINC000568415200 530156469 /nfs/dbraw/zinc/15/64/69/530156469.db2.gz KXWGSJCBNFXVPQ-LBPRGKRZSA-N 2 2 395.507 -1.130 20 0 GAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000569831371 1075745021 /nfs/dbraw/zinc/74/50/21/1075745021.db2.gz DWDSKKSTBACUFR-UHFFFAOYSA-N 2 2 397.520 -1.163 20 0 GAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000569840634 1075745083 /nfs/dbraw/zinc/74/50/83/1075745083.db2.gz IIMKGXUNHYDICA-CABCVRRESA-N 2 2 391.476 -1.307 20 0 GAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000569840637 1075745071 /nfs/dbraw/zinc/74/50/71/1075745071.db2.gz IIMKGXUNHYDICA-GJZGRUSLSA-N 2 2 391.476 -1.307 20 0 GAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000569840640 1075745119 /nfs/dbraw/zinc/74/51/19/1075745119.db2.gz IIMKGXUNHYDICA-HUUCEWRRSA-N 2 2 391.476 -1.307 20 0 GAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000569840642 1075745037 /nfs/dbraw/zinc/74/50/37/1075745037.db2.gz IIMKGXUNHYDICA-LSDHHAIUSA-N 2 2 391.476 -1.307 20 0 GAADLP Cc1nc(S(=O)(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cn1C ZINC000570045518 1075745627 /nfs/dbraw/zinc/74/56/27/1075745627.db2.gz FOHOODCEGBZRHY-UHFFFAOYSA-N 2 2 384.506 -1.143 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CCOC3C[NH2+]C3)CC2)CC1 ZINC000570392548 530081312 /nfs/dbraw/zinc/08/13/12/530081312.db2.gz GUZZRDXLIWAKJX-UHFFFAOYSA-N 2 2 375.495 -1.999 20 0 GAADLP NC(=O)NC(=O)CC[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000570444645 1074496591 /nfs/dbraw/zinc/49/65/91/1074496591.db2.gz UJJNLXVPPASGIA-UHFFFAOYSA-N 2 2 384.462 -1.292 20 0 GAADLP CC(C)Nc1nc(N2CC[NH+](CCC(=O)N(C)C)CC2)nc(NCCO)[nH+]1 ZINC000571070931 1074506216 /nfs/dbraw/zinc/50/62/16/1074506216.db2.gz ABXGIFYTSHSEEE-UHFFFAOYSA-N 2 2 380.497 -1.460 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000571071942 1074506156 /nfs/dbraw/zinc/50/61/56/1074506156.db2.gz UTJHBHQKSHWLRD-UHFFFAOYSA-N 2 2 397.520 -1.164 20 0 GAADLP CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000571304067 530093654 /nfs/dbraw/zinc/09/36/54/530093654.db2.gz XDALJSSJSMKOPI-KBPBESRZSA-N 2 2 376.527 -1.068 20 0 GAADLP CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000571304067 530093652 /nfs/dbraw/zinc/09/36/52/530093652.db2.gz XDALJSSJSMKOPI-KBPBESRZSA-N 2 2 376.527 -1.068 20 0 GAADLP CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000571304068 530093756 /nfs/dbraw/zinc/09/37/56/530093756.db2.gz XDALJSSJSMKOPI-KGLIPLIRSA-N 2 2 376.527 -1.068 20 0 GAADLP CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000571304068 530093755 /nfs/dbraw/zinc/09/37/55/530093755.db2.gz XDALJSSJSMKOPI-KGLIPLIRSA-N 2 2 376.527 -1.068 20 0 GAADLP CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000571304069 530093490 /nfs/dbraw/zinc/09/34/90/530093490.db2.gz XDALJSSJSMKOPI-UONOGXRCSA-N 2 2 376.527 -1.068 20 0 GAADLP CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000571304069 530093488 /nfs/dbraw/zinc/09/34/88/530093488.db2.gz XDALJSSJSMKOPI-UONOGXRCSA-N 2 2 376.527 -1.068 20 0 GAADLP CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000571304070 530093823 /nfs/dbraw/zinc/09/38/23/530093823.db2.gz XDALJSSJSMKOPI-ZIAGYGMSSA-N 2 2 376.527 -1.068 20 0 GAADLP CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000571304070 530093821 /nfs/dbraw/zinc/09/38/21/530093821.db2.gz XDALJSSJSMKOPI-ZIAGYGMSSA-N 2 2 376.527 -1.068 20 0 GAADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000572258924 1075750387 /nfs/dbraw/zinc/75/03/87/1075750387.db2.gz ZVODHTKXUPFUGI-AWEZNQCLSA-N 2 2 389.460 -1.560 20 0 GAADLP O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000572258924 1075750386 /nfs/dbraw/zinc/75/03/86/1075750386.db2.gz ZVODHTKXUPFUGI-AWEZNQCLSA-N 2 2 389.460 -1.560 20 0 GAADLP CC1(C(N)=O)C[NH+](CC(=O)N2CCN(C(=O)C[NH+]3CC(C)(C(N)=O)C3)CC2)C1 ZINC000573483166 1075751878 /nfs/dbraw/zinc/75/18/78/1075751878.db2.gz JIOJKQVYPRSFMN-UHFFFAOYSA-N 2 2 394.476 -2.728 20 0 GAADLP O=S(=O)(CCCS(=O)(=O)N1CC[NH+](CCO)CC1)Nc1c[nH+]c[nH]1 ZINC000574291643 530158291 /nfs/dbraw/zinc/15/82/91/530158291.db2.gz XQJXQCKVPNLJTJ-UHFFFAOYSA-N 2 2 381.480 -1.519 20 0 GAADLP CC[NH2+]CCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000574426931 530157755 /nfs/dbraw/zinc/15/77/55/530157755.db2.gz QEMCIVYWWUIWHO-UHFFFAOYSA-N 2 2 376.527 -1.195 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000574469661 1074534938 /nfs/dbraw/zinc/53/49/38/1074534938.db2.gz NXXXNUUBRDUHOU-INIZCTEOSA-N 2 2 397.520 -1.070 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000574469661 1074534932 /nfs/dbraw/zinc/53/49/32/1074534932.db2.gz NXXXNUUBRDUHOU-INIZCTEOSA-N 2 2 397.520 -1.070 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000574469662 1074535162 /nfs/dbraw/zinc/53/51/62/1074535162.db2.gz NXXXNUUBRDUHOU-MRXNPFEDSA-N 2 2 397.520 -1.070 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000574469662 1074535152 /nfs/dbraw/zinc/53/51/52/1074535152.db2.gz NXXXNUUBRDUHOU-MRXNPFEDSA-N 2 2 397.520 -1.070 20 0 GAADLP COC(=O)C[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000575056071 530158223 /nfs/dbraw/zinc/15/82/23/530158223.db2.gz RQYDBPWWKVIMOY-LBPRGKRZSA-N 2 2 377.467 -2.487 20 0 GAADLP C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000575110108 1074545734 /nfs/dbraw/zinc/54/57/34/1074545734.db2.gz PJPOBMIPEABJPO-HNNXBMFYSA-N 2 2 383.493 -1.649 20 0 GAADLP C[C@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000575110109 1074545592 /nfs/dbraw/zinc/54/55/92/1074545592.db2.gz PJPOBMIPEABJPO-OAHLLOKOSA-N 2 2 383.493 -1.649 20 0 GAADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000575160294 1075754812 /nfs/dbraw/zinc/75/48/12/1075754812.db2.gz MZNQTHMFYQZGJY-KBPBESRZSA-N 2 2 383.493 -1.462 20 0 GAADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000575160295 1075754650 /nfs/dbraw/zinc/75/46/50/1075754650.db2.gz MZNQTHMFYQZGJY-OKILXGFUSA-N 2 2 383.493 -1.462 20 0 GAADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000575160295 1075754647 /nfs/dbraw/zinc/75/46/47/1075754647.db2.gz MZNQTHMFYQZGJY-OKILXGFUSA-N 2 2 383.493 -1.462 20 0 GAADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000575160296 1075755009 /nfs/dbraw/zinc/75/50/09/1075755009.db2.gz MZNQTHMFYQZGJY-ZIAGYGMSSA-N 2 2 383.493 -1.462 20 0 GAADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+]1CCOCC1 ZINC000576123341 1075756402 /nfs/dbraw/zinc/75/64/02/1075756402.db2.gz DUQYKPSCZSJDMC-BZUAXINKSA-N 2 2 395.504 -1.380 20 0 GAADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+]1CCOCC1 ZINC000576123342 1075756378 /nfs/dbraw/zinc/75/63/78/1075756378.db2.gz DUQYKPSCZSJDMC-OAGGEKHMSA-N 2 2 395.504 -1.380 20 0 GAADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+]1CCOCC1 ZINC000576123343 1075756333 /nfs/dbraw/zinc/75/63/33/1075756333.db2.gz DUQYKPSCZSJDMC-OWCLPIDISA-N 2 2 395.504 -1.380 20 0 GAADLP CC(C)C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+]1CCOCC1 ZINC000576123344 1075756317 /nfs/dbraw/zinc/75/63/17/1075756317.db2.gz DUQYKPSCZSJDMC-PMPSAXMXSA-N 2 2 395.504 -1.380 20 0 GAADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000576726076 1075758273 /nfs/dbraw/zinc/75/82/73/1075758273.db2.gz VAGXUFDWODZHTJ-CABCVRRESA-N 2 2 381.477 -1.802 20 0 GAADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000576726076 1075758270 /nfs/dbraw/zinc/75/82/70/1075758270.db2.gz VAGXUFDWODZHTJ-CABCVRRESA-N 2 2 381.477 -1.802 20 0 GAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000576726076 1075758264 /nfs/dbraw/zinc/75/82/64/1075758264.db2.gz VAGXUFDWODZHTJ-CABCVRRESA-N 2 2 381.477 -1.802 20 0 GAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000576726076 1075758257 /nfs/dbraw/zinc/75/82/57/1075758257.db2.gz VAGXUFDWODZHTJ-CABCVRRESA-N 2 2 381.477 -1.802 20 0 GAADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000576726077 1075758439 /nfs/dbraw/zinc/75/84/39/1075758439.db2.gz VAGXUFDWODZHTJ-GJZGRUSLSA-N 2 2 381.477 -1.802 20 0 GAADLP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000576726077 1075758437 /nfs/dbraw/zinc/75/84/37/1075758437.db2.gz VAGXUFDWODZHTJ-GJZGRUSLSA-N 2 2 381.477 -1.802 20 0 GAADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000576726077 1075758434 /nfs/dbraw/zinc/75/84/34/1075758434.db2.gz VAGXUFDWODZHTJ-GJZGRUSLSA-N 2 2 381.477 -1.802 20 0 GAADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000576726077 1075758432 /nfs/dbraw/zinc/75/84/32/1075758432.db2.gz VAGXUFDWODZHTJ-GJZGRUSLSA-N 2 2 381.477 -1.802 20 0 GAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000576726078 1075758334 /nfs/dbraw/zinc/75/83/34/1075758334.db2.gz VAGXUFDWODZHTJ-HUUCEWRRSA-N 2 2 381.477 -1.802 20 0 GAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000576726078 1075758330 /nfs/dbraw/zinc/75/83/30/1075758330.db2.gz VAGXUFDWODZHTJ-HUUCEWRRSA-N 2 2 381.477 -1.802 20 0 GAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000576726078 1075758326 /nfs/dbraw/zinc/75/83/26/1075758326.db2.gz VAGXUFDWODZHTJ-HUUCEWRRSA-N 2 2 381.477 -1.802 20 0 GAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000576726078 1075758323 /nfs/dbraw/zinc/75/83/23/1075758323.db2.gz VAGXUFDWODZHTJ-HUUCEWRRSA-N 2 2 381.477 -1.802 20 0 GAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000576726079 1075758310 /nfs/dbraw/zinc/75/83/10/1075758310.db2.gz VAGXUFDWODZHTJ-LSDHHAIUSA-N 2 2 381.477 -1.802 20 0 GAADLP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000576726079 1075758306 /nfs/dbraw/zinc/75/83/06/1075758306.db2.gz VAGXUFDWODZHTJ-LSDHHAIUSA-N 2 2 381.477 -1.802 20 0 GAADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000576726079 1075758302 /nfs/dbraw/zinc/75/83/02/1075758302.db2.gz VAGXUFDWODZHTJ-LSDHHAIUSA-N 2 2 381.477 -1.802 20 0 GAADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000576726079 1075758299 /nfs/dbraw/zinc/75/82/99/1075758299.db2.gz VAGXUFDWODZHTJ-LSDHHAIUSA-N 2 2 381.477 -1.802 20 0 GAADLP CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(=O)[nH]c1=O ZINC000577062441 1075759463 /nfs/dbraw/zinc/75/94/63/1075759463.db2.gz FUSFGXUZDIVODC-LLVKDONJSA-N 2 2 380.449 -1.089 20 0 GAADLP CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(=O)[nH]c1=O ZINC000577062441 1075759459 /nfs/dbraw/zinc/75/94/59/1075759459.db2.gz FUSFGXUZDIVODC-LLVKDONJSA-N 2 2 380.449 -1.089 20 0 GAADLP CCCn1c(N)c(C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(=O)[nH]c1=O ZINC000577062442 1075759632 /nfs/dbraw/zinc/75/96/32/1075759632.db2.gz FUSFGXUZDIVODC-NSHDSACASA-N 2 2 380.449 -1.089 20 0 GAADLP CCCn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(=O)[nH]c1=O ZINC000577062442 1075759624 /nfs/dbraw/zinc/75/96/24/1075759624.db2.gz FUSFGXUZDIVODC-NSHDSACASA-N 2 2 380.449 -1.089 20 0 GAADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577485657 530159287 /nfs/dbraw/zinc/15/92/87/530159287.db2.gz OMAYJVHAONWHJZ-CYBMUJFWSA-N 2 2 375.495 -1.664 20 0 GAADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577485657 530159284 /nfs/dbraw/zinc/15/92/84/530159284.db2.gz OMAYJVHAONWHJZ-CYBMUJFWSA-N 2 2 375.495 -1.664 20 0 GAADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577485658 530158787 /nfs/dbraw/zinc/15/87/87/530158787.db2.gz OMAYJVHAONWHJZ-ZDUSSCGKSA-N 2 2 375.495 -1.664 20 0 GAADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000577485658 530158783 /nfs/dbraw/zinc/15/87/83/530158783.db2.gz OMAYJVHAONWHJZ-ZDUSSCGKSA-N 2 2 375.495 -1.664 20 0 GAADLP O=S(=O)(CCCS(=O)(=O)N1CCC[N@H+](CCO)CC1)Nc1c[nH+]c[nH]1 ZINC000577530707 530159139 /nfs/dbraw/zinc/15/91/39/530159139.db2.gz MQQYDJAQCDZKJX-UHFFFAOYSA-N 2 2 395.507 -1.129 20 0 GAADLP O=S(=O)(CCCS(=O)(=O)N1CCC[N@@H+](CCO)CC1)Nc1c[nH+]c[nH]1 ZINC000577530707 530159135 /nfs/dbraw/zinc/15/91/35/530159135.db2.gz MQQYDJAQCDZKJX-UHFFFAOYSA-N 2 2 395.507 -1.129 20 0 GAADLP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577651502 1075762485 /nfs/dbraw/zinc/76/24/85/1075762485.db2.gz JFYDRVBCBDSLIU-KBPBESRZSA-N 2 2 391.497 -1.007 20 0 GAADLP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577651502 1075762482 /nfs/dbraw/zinc/76/24/82/1075762482.db2.gz JFYDRVBCBDSLIU-KBPBESRZSA-N 2 2 391.497 -1.007 20 0 GAADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577651506 1075762458 /nfs/dbraw/zinc/76/24/58/1075762458.db2.gz JFYDRVBCBDSLIU-KGLIPLIRSA-N 2 2 391.497 -1.007 20 0 GAADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577651506 1075762455 /nfs/dbraw/zinc/76/24/55/1075762455.db2.gz JFYDRVBCBDSLIU-KGLIPLIRSA-N 2 2 391.497 -1.007 20 0 GAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577651507 1075762443 /nfs/dbraw/zinc/76/24/43/1075762443.db2.gz JFYDRVBCBDSLIU-UONOGXRCSA-N 2 2 391.497 -1.007 20 0 GAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577651507 1075762439 /nfs/dbraw/zinc/76/24/39/1075762439.db2.gz JFYDRVBCBDSLIU-UONOGXRCSA-N 2 2 391.497 -1.007 20 0 GAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC[N@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577651508 1075762423 /nfs/dbraw/zinc/76/24/23/1075762423.db2.gz JFYDRVBCBDSLIU-ZIAGYGMSSA-N 2 2 391.497 -1.007 20 0 GAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC[N@@H+]3CCc4sccc4C3)CCN2C1=O ZINC000577651508 1075762414 /nfs/dbraw/zinc/76/24/14/1075762414.db2.gz JFYDRVBCBDSLIU-ZIAGYGMSSA-N 2 2 391.497 -1.007 20 0 GAADLP C[N@@H+](C[C@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000577664062 530159771 /nfs/dbraw/zinc/15/97/71/530159771.db2.gz BCUSCYRSOSWKHK-INIZCTEOSA-N 2 2 375.539 -1.449 20 0 GAADLP C[N@H+](C[C@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000577664062 530159768 /nfs/dbraw/zinc/15/97/68/530159768.db2.gz BCUSCYRSOSWKHK-INIZCTEOSA-N 2 2 375.539 -1.449 20 0 GAADLP C[N@@H+](C[C@@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000577664063 530159852 /nfs/dbraw/zinc/15/98/52/530159852.db2.gz BCUSCYRSOSWKHK-MRXNPFEDSA-N 2 2 375.539 -1.449 20 0 GAADLP C[N@H+](C[C@@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000577664063 530159848 /nfs/dbraw/zinc/15/98/48/530159848.db2.gz BCUSCYRSOSWKHK-MRXNPFEDSA-N 2 2 375.539 -1.449 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](C)C1 ZINC000578227359 1075764801 /nfs/dbraw/zinc/76/48/01/1075764801.db2.gz DALXQFKWQWYDEF-CYBMUJFWSA-N 2 2 383.449 -2.370 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](C)C1 ZINC000578227359 1075764795 /nfs/dbraw/zinc/76/47/95/1075764795.db2.gz DALXQFKWQWYDEF-CYBMUJFWSA-N 2 2 383.449 -2.370 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000578227360 1075764707 /nfs/dbraw/zinc/76/47/07/1075764707.db2.gz DALXQFKWQWYDEF-ZDUSSCGKSA-N 2 2 383.449 -2.370 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](C)C1 ZINC000578227360 1075764702 /nfs/dbraw/zinc/76/47/02/1075764702.db2.gz DALXQFKWQWYDEF-ZDUSSCGKSA-N 2 2 383.449 -2.370 20 0 GAADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000578670648 1075766239 /nfs/dbraw/zinc/76/62/39/1075766239.db2.gz RPTWEIDDHVAQAR-CABCVRRESA-N 2 2 388.476 -1.448 20 0 GAADLP [NH3+][C@H]1C[C@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000578670649 1075766217 /nfs/dbraw/zinc/76/62/17/1075766217.db2.gz RPTWEIDDHVAQAR-GJZGRUSLSA-N 2 2 388.476 -1.448 20 0 GAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000578670650 1075766578 /nfs/dbraw/zinc/76/65/78/1075766578.db2.gz RPTWEIDDHVAQAR-HUUCEWRRSA-N 2 2 388.476 -1.448 20 0 GAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CCN2C1=O ZINC000578670651 1075766492 /nfs/dbraw/zinc/76/64/92/1075766492.db2.gz RPTWEIDDHVAQAR-LSDHHAIUSA-N 2 2 388.476 -1.448 20 0 GAADLP C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000579005785 530167216 /nfs/dbraw/zinc/16/72/16/530167216.db2.gz KFLYTEIVHSGJJS-GFCCVEGCSA-N 2 2 395.507 -1.130 20 0 GAADLP C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000579005785 530167214 /nfs/dbraw/zinc/16/72/14/530167214.db2.gz KFLYTEIVHSGJJS-GFCCVEGCSA-N 2 2 395.507 -1.130 20 0 GAADLP C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000579005789 530167023 /nfs/dbraw/zinc/16/70/23/530167023.db2.gz KFLYTEIVHSGJJS-LBPRGKRZSA-N 2 2 395.507 -1.130 20 0 GAADLP C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000579005789 530167020 /nfs/dbraw/zinc/16/70/20/530167020.db2.gz KFLYTEIVHSGJJS-LBPRGKRZSA-N 2 2 395.507 -1.130 20 0 GAADLP C[N@H+]1CC[C@@](O)(CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000579007191 530166812 /nfs/dbraw/zinc/16/68/12/530166812.db2.gz XFXMLZCWOSXKEE-GFCCVEGCSA-N 2 2 381.480 -1.473 20 0 GAADLP C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000579007191 530166798 /nfs/dbraw/zinc/16/67/98/530166798.db2.gz XFXMLZCWOSXKEE-GFCCVEGCSA-N 2 2 381.480 -1.473 20 0 GAADLP C[N@H+]1CC[C@](O)(CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000579007192 530167143 /nfs/dbraw/zinc/16/71/43/530167143.db2.gz XFXMLZCWOSXKEE-LBPRGKRZSA-N 2 2 381.480 -1.473 20 0 GAADLP C[N@@H+]1CC[C@](O)(CNS(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)C1 ZINC000579007192 530167141 /nfs/dbraw/zinc/16/71/41/530167141.db2.gz XFXMLZCWOSXKEE-LBPRGKRZSA-N 2 2 381.480 -1.473 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000579025496 1075767583 /nfs/dbraw/zinc/76/75/83/1075767583.db2.gz FGVMWTQOEMLSTE-JYJNAYRXSA-N 2 2 394.520 -1.855 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000579025497 1075767496 /nfs/dbraw/zinc/76/74/96/1075767496.db2.gz FGVMWTQOEMLSTE-OAGGEKHMSA-N 2 2 394.520 -1.855 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000579025498 1075767475 /nfs/dbraw/zinc/76/74/75/1075767475.db2.gz FGVMWTQOEMLSTE-PMPSAXMXSA-N 2 2 394.520 -1.855 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000579025499 1075767388 /nfs/dbraw/zinc/76/73/88/1075767388.db2.gz FGVMWTQOEMLSTE-XHSDSOJGSA-N 2 2 394.520 -1.855 20 0 GAADLP O=C(C(=O)N1CC[C@H]([NH+]2CC=CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579822677 1073417595 /nfs/dbraw/zinc/41/75/95/1073417595.db2.gz GTYDLEXYHJSJHW-AWEZNQCLSA-N 2 2 397.501 -2.095 20 0 GAADLP O=C(C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579822678 1073417577 /nfs/dbraw/zinc/41/75/77/1073417577.db2.gz GTYDLEXYHJSJHW-CQSZACIVSA-N 2 2 397.501 -2.095 20 0 GAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000579858582 1073432884 /nfs/dbraw/zinc/43/28/84/1073432884.db2.gz HSDXCMWVYOHHSY-INIZCTEOSA-N 2 2 397.520 -1.260 20 0 GAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000579858582 1073432878 /nfs/dbraw/zinc/43/28/78/1073432878.db2.gz HSDXCMWVYOHHSY-INIZCTEOSA-N 2 2 397.520 -1.260 20 0 GAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000579858583 1073432675 /nfs/dbraw/zinc/43/26/75/1073432675.db2.gz HSDXCMWVYOHHSY-MRXNPFEDSA-N 2 2 397.520 -1.260 20 0 GAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000579858583 1073432670 /nfs/dbraw/zinc/43/26/70/1073432670.db2.gz HSDXCMWVYOHHSY-MRXNPFEDSA-N 2 2 397.520 -1.260 20 0 GAADLP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000579945009 1073463045 /nfs/dbraw/zinc/46/30/45/1073463045.db2.gz AXAJOMRVUISYRG-UHFFFAOYSA-N 2 2 399.517 -1.871 20 0 GAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000580176326 1073527687 /nfs/dbraw/zinc/52/76/87/1073527687.db2.gz ORYWDTRCYJRWDK-INIZCTEOSA-N 2 2 397.520 -1.129 20 0 GAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000580176326 1073527670 /nfs/dbraw/zinc/52/76/70/1073527670.db2.gz ORYWDTRCYJRWDK-INIZCTEOSA-N 2 2 397.520 -1.129 20 0 GAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000580176327 1073527860 /nfs/dbraw/zinc/52/78/60/1073527860.db2.gz ORYWDTRCYJRWDK-MRXNPFEDSA-N 2 2 397.520 -1.129 20 0 GAADLP CCOCC[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000580176327 1073527851 /nfs/dbraw/zinc/52/78/51/1073527851.db2.gz ORYWDTRCYJRWDK-MRXNPFEDSA-N 2 2 397.520 -1.129 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000580436463 1073533499 /nfs/dbraw/zinc/53/34/99/1073533499.db2.gz XZCFXNMOMGTYJR-DLBZAZTESA-N 2 2 379.505 -1.327 20 0 GAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000580436464 1073533481 /nfs/dbraw/zinc/53/34/81/1073533481.db2.gz XZCFXNMOMGTYJR-IAGOWNOFSA-N 2 2 379.505 -1.327 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000580436465 1073533449 /nfs/dbraw/zinc/53/34/49/1073533449.db2.gz XZCFXNMOMGTYJR-IRXDYDNUSA-N 2 2 379.505 -1.327 20 0 GAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000580436466 1073533433 /nfs/dbraw/zinc/53/34/33/1073533433.db2.gz XZCFXNMOMGTYJR-SJORKVTESA-N 2 2 379.505 -1.327 20 0 GAADLP CC(C)C[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000580764166 1073540921 /nfs/dbraw/zinc/54/09/21/1073540921.db2.gz TXBBSFKYLAYCNG-HNNXBMFYSA-N 2 2 383.493 -1.603 20 0 GAADLP CC(C)C[C@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000580764167 1073540531 /nfs/dbraw/zinc/54/05/31/1073540531.db2.gz TXBBSFKYLAYCNG-OAHLLOKOSA-N 2 2 383.493 -1.603 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580776054 1073540892 /nfs/dbraw/zinc/54/08/92/1073540892.db2.gz LOSBJXGAMOWIJS-DLBZAZTESA-N 2 2 379.505 -1.327 20 0 GAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580776060 1073540703 /nfs/dbraw/zinc/54/07/03/1073540703.db2.gz LOSBJXGAMOWIJS-IAGOWNOFSA-N 2 2 379.505 -1.327 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580776062 1073540975 /nfs/dbraw/zinc/54/09/75/1073540975.db2.gz LOSBJXGAMOWIJS-IRXDYDNUSA-N 2 2 379.505 -1.327 20 0 GAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580776063 1073540670 /nfs/dbraw/zinc/54/06/70/1073540670.db2.gz LOSBJXGAMOWIJS-SJORKVTESA-N 2 2 379.505 -1.327 20 0 GAADLP [NH3+][C@H]1C[C@@H]2CN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)CCN2C1=O ZINC000581262638 1073552737 /nfs/dbraw/zinc/55/27/37/1073552737.db2.gz ZIRLRDCEVJDJMN-CABCVRRESA-N 2 2 386.456 -1.063 20 0 GAADLP [NH3+][C@H]1C[C@H]2CN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)CCN2C1=O ZINC000581262640 1073553023 /nfs/dbraw/zinc/55/30/23/1073553023.db2.gz ZIRLRDCEVJDJMN-GJZGRUSLSA-N 2 2 386.456 -1.063 20 0 GAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)CCN2C1=O ZINC000581262641 1073553619 /nfs/dbraw/zinc/55/36/19/1073553619.db2.gz ZIRLRDCEVJDJMN-HUUCEWRRSA-N 2 2 386.456 -1.063 20 0 GAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)NC3CCN(c4cccc[nH+]4)CC3)CCN2C1=O ZINC000581262642 1073553406 /nfs/dbraw/zinc/55/34/06/1073553406.db2.gz ZIRLRDCEVJDJMN-LSDHHAIUSA-N 2 2 386.456 -1.063 20 0 GAADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H](C)O1 ZINC000581836137 1073568937 /nfs/dbraw/zinc/56/89/37/1073568937.db2.gz VCCXKGBMGMUUBL-APIJFGDWSA-N 2 2 395.504 -1.239 20 0 GAADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H](C)O1 ZINC000581836138 1073569015 /nfs/dbraw/zinc/56/90/15/1073569015.db2.gz VCCXKGBMGMUUBL-KBUPBQIOSA-N 2 2 395.504 -1.239 20 0 GAADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)O1 ZINC000581836139 1073568796 /nfs/dbraw/zinc/56/87/96/1073568796.db2.gz VCCXKGBMGMUUBL-LJISPDSOSA-N 2 2 395.504 -1.239 20 0 GAADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)O1 ZINC000581836139 1073568784 /nfs/dbraw/zinc/56/87/84/1073568784.db2.gz VCCXKGBMGMUUBL-LJISPDSOSA-N 2 2 395.504 -1.239 20 0 GAADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)O1 ZINC000581836140 1073568673 /nfs/dbraw/zinc/56/86/73/1073568673.db2.gz VCCXKGBMGMUUBL-LXTVHRRPSA-N 2 2 395.504 -1.239 20 0 GAADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)O1 ZINC000581836140 1073568661 /nfs/dbraw/zinc/56/86/61/1073568661.db2.gz VCCXKGBMGMUUBL-LXTVHRRPSA-N 2 2 395.504 -1.239 20 0 GAADLP COC(=O)C[C@H]([NH3+])C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000582298799 1073591344 /nfs/dbraw/zinc/59/13/44/1073591344.db2.gz DMIRWLUEVAWCDX-ZDUSSCGKSA-N 2 2 399.473 -1.460 20 0 GAADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000582410911 1073594195 /nfs/dbraw/zinc/59/41/95/1073594195.db2.gz FJPUEVLBBIBDDH-BZUAXINKSA-N 2 2 395.504 -1.365 20 0 GAADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000582410912 1073594333 /nfs/dbraw/zinc/59/43/33/1073594333.db2.gz FJPUEVLBBIBDDH-OAGGEKHMSA-N 2 2 395.504 -1.365 20 0 GAADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000582410913 1073594315 /nfs/dbraw/zinc/59/43/15/1073594315.db2.gz FJPUEVLBBIBDDH-OWCLPIDISA-N 2 2 395.504 -1.365 20 0 GAADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000582410913 1073594309 /nfs/dbraw/zinc/59/43/09/1073594309.db2.gz FJPUEVLBBIBDDH-OWCLPIDISA-N 2 2 395.504 -1.365 20 0 GAADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000582410914 1073594280 /nfs/dbraw/zinc/59/42/80/1073594280.db2.gz FJPUEVLBBIBDDH-XHSDSOJGSA-N 2 2 395.504 -1.365 20 0 GAADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C[C@H](C)O1 ZINC000582410914 1073594276 /nfs/dbraw/zinc/59/42/76/1073594276.db2.gz FJPUEVLBBIBDDH-XHSDSOJGSA-N 2 2 395.504 -1.365 20 0 GAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000582615135 1073599094 /nfs/dbraw/zinc/59/90/94/1073599094.db2.gz RFDNOYVXCMRLRE-GJZGRUSLSA-N 2 2 388.476 -1.381 20 0 GAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CCN2C1=O ZINC000582856234 1073604618 /nfs/dbraw/zinc/60/46/18/1073604618.db2.gz FSKWTZKKFNDYBP-FPCVCCKLSA-N 2 2 393.488 -1.484 20 0 GAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CCN2C1=O ZINC000582856235 1073605436 /nfs/dbraw/zinc/60/54/36/1073605436.db2.gz FSKWTZKKFNDYBP-KLHDSHLOSA-N 2 2 393.488 -1.484 20 0 GAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CCN2C1=O ZINC000582856236 1073605558 /nfs/dbraw/zinc/60/55/58/1073605558.db2.gz FSKWTZKKFNDYBP-LVQVYYBASA-N 2 2 393.488 -1.484 20 0 GAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CCN2C1=O ZINC000582856237 1073605374 /nfs/dbraw/zinc/60/53/74/1073605374.db2.gz FSKWTZKKFNDYBP-WCVJEAGWSA-N 2 2 393.488 -1.484 20 0 GAADLP CS(=O)(=O)C1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000583027630 1073609710 /nfs/dbraw/zinc/60/97/10/1073609710.db2.gz WQWUIGVLYRFBPW-UHFFFAOYSA-N 2 2 386.518 -1.080 20 0 GAADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000583070344 530106890 /nfs/dbraw/zinc/10/68/90/530106890.db2.gz SRVLIAUDAVRGCP-UHFFFAOYSA-N 2 2 376.523 -1.026 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000583158957 1073611984 /nfs/dbraw/zinc/61/19/84/1073611984.db2.gz VWVLZEBCLJMARW-UHFFFAOYSA-N 2 2 396.492 -2.453 20 0 GAADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000583485888 530099657 /nfs/dbraw/zinc/09/96/57/530099657.db2.gz RDCZFQAQYPMEFZ-AWEZNQCLSA-N 2 2 376.523 -1.026 20 0 GAADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000583485889 530099503 /nfs/dbraw/zinc/09/95/03/530099503.db2.gz RDCZFQAQYPMEFZ-CQSZACIVSA-N 2 2 376.523 -1.026 20 0 GAADLP O=C(NC1C[NH2+]C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000583802638 1073630075 /nfs/dbraw/zinc/63/00/75/1073630075.db2.gz UYKRYRWKPYXGFF-UHFFFAOYSA-N 2 2 375.433 -1.950 20 0 GAADLP O=C(NC1C[NH2+]C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000583802638 1073630068 /nfs/dbraw/zinc/63/00/68/1073630068.db2.gz UYKRYRWKPYXGFF-UHFFFAOYSA-N 2 2 375.433 -1.950 20 0 GAADLP O=C(CNC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000583862183 1073632313 /nfs/dbraw/zinc/63/23/13/1073632313.db2.gz HFLRCSHYDOZEKN-UHFFFAOYSA-N 2 2 387.484 -1.079 20 0 GAADLP O=C(CNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)N1CC[NH2+]CC1 ZINC000584103536 1073637711 /nfs/dbraw/zinc/63/77/11/1073637711.db2.gz TYNBUFYBCVRJQV-UHFFFAOYSA-N 2 2 393.513 -1.017 20 0 GAADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)C[C@H]1C[NH3+] ZINC000593783849 1074534058 /nfs/dbraw/zinc/53/40/58/1074534058.db2.gz DDNLEDIVSQBBKZ-RBSFLKMASA-N 2 2 384.477 -1.096 20 0 GAADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)C[C@H]1C[NH3+] ZINC000593783849 1074534051 /nfs/dbraw/zinc/53/40/51/1074534051.db2.gz DDNLEDIVSQBBKZ-RBSFLKMASA-N 2 2 384.477 -1.096 20 0 GAADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000593783850 1074533955 /nfs/dbraw/zinc/53/39/55/1074533955.db2.gz DDNLEDIVSQBBKZ-RRFJBIMHSA-N 2 2 384.477 -1.096 20 0 GAADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000593783850 1074533947 /nfs/dbraw/zinc/53/39/47/1074533947.db2.gz DDNLEDIVSQBBKZ-RRFJBIMHSA-N 2 2 384.477 -1.096 20 0 GAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000594537473 1074537064 /nfs/dbraw/zinc/53/70/64/1074537064.db2.gz SIBLZGXRYHETSE-QLFBSQMISA-N 2 2 382.461 -1.640 20 0 GAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000594537473 1074537056 /nfs/dbraw/zinc/53/70/56/1074537056.db2.gz SIBLZGXRYHETSE-QLFBSQMISA-N 2 2 382.461 -1.640 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000594537473 1074537043 /nfs/dbraw/zinc/53/70/43/1074537043.db2.gz SIBLZGXRYHETSE-QLFBSQMISA-N 2 2 382.461 -1.640 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@H](C)C1 ZINC000594537473 1074537038 /nfs/dbraw/zinc/53/70/38/1074537038.db2.gz SIBLZGXRYHETSE-QLFBSQMISA-N 2 2 382.461 -1.640 20 0 GAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000594537474 1074537425 /nfs/dbraw/zinc/53/74/25/1074537425.db2.gz SIBLZGXRYHETSE-SOUVJXGZSA-N 2 2 382.461 -1.640 20 0 GAADLP COC(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000594537474 1074537422 /nfs/dbraw/zinc/53/74/22/1074537422.db2.gz SIBLZGXRYHETSE-SOUVJXGZSA-N 2 2 382.461 -1.640 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000594537474 1074537416 /nfs/dbraw/zinc/53/74/16/1074537416.db2.gz SIBLZGXRYHETSE-SOUVJXGZSA-N 2 2 382.461 -1.640 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)[C@@H](C)C1 ZINC000594537474 1074537413 /nfs/dbraw/zinc/53/74/13/1074537413.db2.gz SIBLZGXRYHETSE-SOUVJXGZSA-N 2 2 382.461 -1.640 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595276132 1074542162 /nfs/dbraw/zinc/54/21/62/1074542162.db2.gz GZUAGWUFSTZPDB-BPUTZDHNSA-N 3 2 392.504 -1.959 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595276132 1074542156 /nfs/dbraw/zinc/54/21/56/1074542156.db2.gz GZUAGWUFSTZPDB-BPUTZDHNSA-N 3 2 392.504 -1.959 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595276133 1074542195 /nfs/dbraw/zinc/54/21/95/1074542195.db2.gz GZUAGWUFSTZPDB-CWRNSKLLSA-N 3 2 392.504 -1.959 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)C2)CC1 ZINC000595276133 1074542188 /nfs/dbraw/zinc/54/21/88/1074542188.db2.gz GZUAGWUFSTZPDB-CWRNSKLLSA-N 3 2 392.504 -1.959 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595276134 1074542730 /nfs/dbraw/zinc/54/27/30/1074542730.db2.gz GZUAGWUFSTZPDB-IMJJTQAJSA-N 3 2 392.504 -1.959 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595276134 1074542727 /nfs/dbraw/zinc/54/27/27/1074542727.db2.gz GZUAGWUFSTZPDB-IMJJTQAJSA-N 3 2 392.504 -1.959 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595276135 1074542752 /nfs/dbraw/zinc/54/27/52/1074542752.db2.gz GZUAGWUFSTZPDB-NUEKZKHPSA-N 3 2 392.504 -1.959 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)C2)CC1 ZINC000595276135 1074542746 /nfs/dbraw/zinc/54/27/46/1074542746.db2.gz GZUAGWUFSTZPDB-NUEKZKHPSA-N 3 2 392.504 -1.959 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000595281421 1074543634 /nfs/dbraw/zinc/54/36/34/1074543634.db2.gz LEHWCPCTJKFCTD-LLVKDONJSA-N 2 2 394.432 -1.647 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000595281421 1074543624 /nfs/dbraw/zinc/54/36/24/1074543624.db2.gz LEHWCPCTJKFCTD-LLVKDONJSA-N 2 2 394.432 -1.647 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000595281423 1074543858 /nfs/dbraw/zinc/54/38/58/1074543858.db2.gz LEHWCPCTJKFCTD-NSHDSACASA-N 2 2 394.432 -1.647 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000595281423 1074543853 /nfs/dbraw/zinc/54/38/53/1074543853.db2.gz LEHWCPCTJKFCTD-NSHDSACASA-N 2 2 394.432 -1.647 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595284907 1074543741 /nfs/dbraw/zinc/54/37/41/1074543741.db2.gz YEHKGFMCKBUAOT-MRLBHPIUSA-N 2 2 381.477 -1.629 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595284907 1074543735 /nfs/dbraw/zinc/54/37/35/1074543735.db2.gz YEHKGFMCKBUAOT-MRLBHPIUSA-N 2 2 381.477 -1.629 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595284908 1074543681 /nfs/dbraw/zinc/54/36/81/1074543681.db2.gz YEHKGFMCKBUAOT-NIFZNCRKSA-N 2 2 381.477 -1.629 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595284908 1074543670 /nfs/dbraw/zinc/54/36/70/1074543670.db2.gz YEHKGFMCKBUAOT-NIFZNCRKSA-N 2 2 381.477 -1.629 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595284951 1074544192 /nfs/dbraw/zinc/54/41/92/1074544192.db2.gz YEHKGFMCKBUAOT-QMIVOQANSA-N 2 2 381.477 -1.629 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595284951 1074544190 /nfs/dbraw/zinc/54/41/90/1074544190.db2.gz YEHKGFMCKBUAOT-QMIVOQANSA-N 2 2 381.477 -1.629 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595284953 1074544253 /nfs/dbraw/zinc/54/42/53/1074544253.db2.gz YEHKGFMCKBUAOT-UXXRCYHCSA-N 2 2 381.477 -1.629 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595284953 1074544249 /nfs/dbraw/zinc/54/42/49/1074544249.db2.gz YEHKGFMCKBUAOT-UXXRCYHCSA-N 2 2 381.477 -1.629 20 0 GAADLP CCOC(=O)[C@@H](N)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000595954558 1074546472 /nfs/dbraw/zinc/54/64/72/1074546472.db2.gz JISXDWCFKLCSBH-INIZCTEOSA-N 2 2 383.493 -1.426 20 0 GAADLP CCOC(=O)[C@H](N)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000595954559 1074546604 /nfs/dbraw/zinc/54/66/04/1074546604.db2.gz JISXDWCFKLCSBH-MRXNPFEDSA-N 2 2 383.493 -1.426 20 0 GAADLP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000595979226 1074547508 /nfs/dbraw/zinc/54/75/08/1074547508.db2.gz CHGIIULAZKMGAS-FPCVCCKLSA-N 2 2 393.488 -1.674 20 0 GAADLP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H]1[NH+]1CCOCC1 ZINC000595979227 1074547592 /nfs/dbraw/zinc/54/75/92/1074547592.db2.gz CHGIIULAZKMGAS-KLHDSHLOSA-N 2 2 393.488 -1.674 20 0 GAADLP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H]1[NH+]1CCOCC1 ZINC000595979228 1074547532 /nfs/dbraw/zinc/54/75/32/1074547532.db2.gz CHGIIULAZKMGAS-QKPAOTATSA-N 2 2 393.488 -1.674 20 0 GAADLP CC[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000595979229 1074547707 /nfs/dbraw/zinc/54/77/07/1074547707.db2.gz CHGIIULAZKMGAS-QXSJWSMHSA-N 2 2 393.488 -1.674 20 0 GAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CCN2C1=O ZINC000595980034 1074548727 /nfs/dbraw/zinc/54/87/27/1074548727.db2.gz CQWIGXFKSFYZRN-QLFBSQMISA-N 2 2 379.461 -1.920 20 0 GAADLP [NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CCN2C1=O ZINC000595980035 1074548852 /nfs/dbraw/zinc/54/88/52/1074548852.db2.gz CQWIGXFKSFYZRN-RBSFLKMASA-N 2 2 379.461 -1.920 20 0 GAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CCN2C1=O ZINC000595980036 1074548549 /nfs/dbraw/zinc/54/85/49/1074548549.db2.gz CQWIGXFKSFYZRN-RRFJBIMHSA-N 2 2 379.461 -1.920 20 0 GAADLP [NH3+][C@@H]1C[C@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CCN2C1=O ZINC000595980037 1074548798 /nfs/dbraw/zinc/54/87/98/1074548798.db2.gz CQWIGXFKSFYZRN-SOUVJXGZSA-N 2 2 379.461 -1.920 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@@H](C)C1 ZINC000595980523 1074548227 /nfs/dbraw/zinc/54/82/27/1074548227.db2.gz JGIZQNLHZJXZOX-BFHYXJOUSA-N 2 2 395.460 -2.147 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@@H](C)C1 ZINC000595980523 1074548218 /nfs/dbraw/zinc/54/82/18/1074548218.db2.gz JGIZQNLHZJXZOX-BFHYXJOUSA-N 2 2 395.460 -2.147 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@H](C)C1 ZINC000595980524 1074548295 /nfs/dbraw/zinc/54/82/95/1074548295.db2.gz JGIZQNLHZJXZOX-HZSPNIEDSA-N 2 2 395.460 -2.147 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@H](C)C1 ZINC000595980524 1074548292 /nfs/dbraw/zinc/54/82/92/1074548292.db2.gz JGIZQNLHZJXZOX-HZSPNIEDSA-N 2 2 395.460 -2.147 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@@H](C)C1 ZINC000595980525 1074548027 /nfs/dbraw/zinc/54/80/27/1074548027.db2.gz JGIZQNLHZJXZOX-MELADBBJSA-N 2 2 395.460 -2.147 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[C@@H](C)C1 ZINC000595980525 1074548018 /nfs/dbraw/zinc/54/80/18/1074548018.db2.gz JGIZQNLHZJXZOX-MELADBBJSA-N 2 2 395.460 -2.147 20 0 GAADLP COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@H](C)C1 ZINC000595980526 1074548253 /nfs/dbraw/zinc/54/82/53/1074548253.db2.gz JGIZQNLHZJXZOX-MGPQQGTHSA-N 2 2 395.460 -2.147 20 0 GAADLP COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[C@H](C)C1 ZINC000595980526 1074548249 /nfs/dbraw/zinc/54/82/49/1074548249.db2.gz JGIZQNLHZJXZOX-MGPQQGTHSA-N 2 2 395.460 -2.147 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595981113 1074550338 /nfs/dbraw/zinc/55/03/38/1074550338.db2.gz MQQWNNLJJBMNAD-CVEARBPZSA-N 3 2 394.520 -1.759 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000595981113 1074550329 /nfs/dbraw/zinc/55/03/29/1074550329.db2.gz MQQWNNLJJBMNAD-CVEARBPZSA-N 3 2 394.520 -1.759 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595981114 1074550685 /nfs/dbraw/zinc/55/06/85/1074550685.db2.gz MQQWNNLJJBMNAD-HOTGVXAUSA-N 3 2 394.520 -1.759 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000595981114 1074550680 /nfs/dbraw/zinc/55/06/80/1074550680.db2.gz MQQWNNLJJBMNAD-HOTGVXAUSA-N 3 2 394.520 -1.759 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595981115 1074550643 /nfs/dbraw/zinc/55/06/43/1074550643.db2.gz MQQWNNLJJBMNAD-HZPDHXFCSA-N 3 2 394.520 -1.759 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000595981115 1074550638 /nfs/dbraw/zinc/55/06/38/1074550638.db2.gz MQQWNNLJJBMNAD-HZPDHXFCSA-N 3 2 394.520 -1.759 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595981116 1074550584 /nfs/dbraw/zinc/55/05/84/1074550584.db2.gz MQQWNNLJJBMNAD-JKSUJKDBSA-N 3 2 394.520 -1.759 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000595981116 1074550577 /nfs/dbraw/zinc/55/05/77/1074550577.db2.gz MQQWNNLJJBMNAD-JKSUJKDBSA-N 3 2 394.520 -1.759 20 0 GAADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595981718 1074550404 /nfs/dbraw/zinc/55/04/04/1074550404.db2.gz PZLCMSBZCZOMNT-HRCADAONSA-N 2 2 393.488 -1.674 20 0 GAADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1 ZINC000595981718 1074550394 /nfs/dbraw/zinc/55/03/94/1074550394.db2.gz PZLCMSBZCZOMNT-HRCADAONSA-N 2 2 393.488 -1.674 20 0 GAADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595981719 1074550517 /nfs/dbraw/zinc/55/05/17/1074550517.db2.gz PZLCMSBZCZOMNT-JYJNAYRXSA-N 2 2 393.488 -1.674 20 0 GAADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1 ZINC000595981719 1074550510 /nfs/dbraw/zinc/55/05/10/1074550510.db2.gz PZLCMSBZCZOMNT-JYJNAYRXSA-N 2 2 393.488 -1.674 20 0 GAADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595981720 1074551137 /nfs/dbraw/zinc/55/11/37/1074551137.db2.gz PZLCMSBZCZOMNT-OWCLPIDISA-N 2 2 393.488 -1.674 20 0 GAADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1 ZINC000595981720 1074551132 /nfs/dbraw/zinc/55/11/32/1074551132.db2.gz PZLCMSBZCZOMNT-OWCLPIDISA-N 2 2 393.488 -1.674 20 0 GAADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595981721 1074551029 /nfs/dbraw/zinc/55/10/29/1074551029.db2.gz PZLCMSBZCZOMNT-PMPSAXMXSA-N 2 2 393.488 -1.674 20 0 GAADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1 ZINC000595981721 1074551024 /nfs/dbraw/zinc/55/10/24/1074551024.db2.gz PZLCMSBZCZOMNT-PMPSAXMXSA-N 2 2 393.488 -1.674 20 0 GAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595982004 1074551618 /nfs/dbraw/zinc/55/16/18/1074551618.db2.gz QOLWEYKSNGLCEV-KBPBESRZSA-N 2 2 394.476 -2.621 20 0 GAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595982007 1074551097 /nfs/dbraw/zinc/55/10/97/1074551097.db2.gz QOLWEYKSNGLCEV-KGLIPLIRSA-N 2 2 394.476 -2.621 20 0 GAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595982008 1074551072 /nfs/dbraw/zinc/55/10/72/1074551072.db2.gz QOLWEYKSNGLCEV-UONOGXRCSA-N 2 2 394.476 -2.621 20 0 GAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595982009 1074550947 /nfs/dbraw/zinc/55/09/47/1074550947.db2.gz QOLWEYKSNGLCEV-ZIAGYGMSSA-N 2 2 394.476 -2.621 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000595982526 1074550354 /nfs/dbraw/zinc/55/03/54/1074550354.db2.gz TUZBRHBVEORIQA-BARDWOONSA-N 2 2 379.461 -2.064 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H]1[NH+]1CCOCC1 ZINC000595982527 1074550273 /nfs/dbraw/zinc/55/02/73/1074550273.db2.gz TUZBRHBVEORIQA-KBUPBQIOSA-N 2 2 379.461 -2.064 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H]1[NH+]1CCOCC1 ZINC000595982528 1074550546 /nfs/dbraw/zinc/55/05/46/1074550546.db2.gz TUZBRHBVEORIQA-LXTVHRRPSA-N 2 2 379.461 -2.064 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@@H]1[NH+]1CCOCC1 ZINC000595982529 1074550611 /nfs/dbraw/zinc/55/06/11/1074550611.db2.gz TUZBRHBVEORIQA-TUVASFSCSA-N 2 2 379.461 -2.064 20 0 GAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C[C@H](C)O1 ZINC000595984414 1074552875 /nfs/dbraw/zinc/55/28/75/1074552875.db2.gz BNMHULOZPDGPSL-BARDWOONSA-N 2 2 381.477 -1.676 20 0 GAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C[C@H](C)O1 ZINC000595984414 1074552869 /nfs/dbraw/zinc/55/28/69/1074552869.db2.gz BNMHULOZPDGPSL-BARDWOONSA-N 2 2 381.477 -1.676 20 0 GAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)O1 ZINC000595984419 1074553030 /nfs/dbraw/zinc/55/30/30/1074553030.db2.gz BNMHULOZPDGPSL-LJISPDSOSA-N 2 2 381.477 -1.676 20 0 GAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C[C@H](C)O1 ZINC000595984419 1074553025 /nfs/dbraw/zinc/55/30/25/1074553025.db2.gz BNMHULOZPDGPSL-LJISPDSOSA-N 2 2 381.477 -1.676 20 0 GAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)O1 ZINC000595984422 1074553500 /nfs/dbraw/zinc/55/35/00/1074553500.db2.gz BNMHULOZPDGPSL-LXTVHRRPSA-N 2 2 381.477 -1.676 20 0 GAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C[C@H](C)O1 ZINC000595984422 1074553498 /nfs/dbraw/zinc/55/34/98/1074553498.db2.gz BNMHULOZPDGPSL-LXTVHRRPSA-N 2 2 381.477 -1.676 20 0 GAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C[C@H](C)O1 ZINC000595984424 1074553442 /nfs/dbraw/zinc/55/34/42/1074553442.db2.gz BNMHULOZPDGPSL-XGUBFFRZSA-N 2 2 381.477 -1.676 20 0 GAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C[C@H](C)O1 ZINC000595984424 1074553438 /nfs/dbraw/zinc/55/34/38/1074553438.db2.gz BNMHULOZPDGPSL-XGUBFFRZSA-N 2 2 381.477 -1.676 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595988550 1074555637 /nfs/dbraw/zinc/55/56/37/1074555637.db2.gz HQVDYYPYBHLYOK-DZGCQCFKSA-N 2 2 397.476 -2.438 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595988558 1074555695 /nfs/dbraw/zinc/55/56/95/1074555695.db2.gz HQVDYYPYBHLYOK-HIFRSBDPSA-N 2 2 397.476 -2.438 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595988561 1074555498 /nfs/dbraw/zinc/55/54/98/1074555498.db2.gz HQVDYYPYBHLYOK-UKRRQHHQSA-N 2 2 397.476 -2.438 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595988564 1074555522 /nfs/dbraw/zinc/55/55/22/1074555522.db2.gz HQVDYYPYBHLYOK-ZFWWWQNUSA-N 2 2 397.476 -2.438 20 0 GAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595996909 1074560087 /nfs/dbraw/zinc/56/00/87/1074560087.db2.gz YMJYAHWFRJCEQB-CABCVRRESA-N 2 2 381.477 -1.674 20 0 GAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000595996910 1074560486 /nfs/dbraw/zinc/56/04/86/1074560486.db2.gz YMJYAHWFRJCEQB-GJZGRUSLSA-N 2 2 381.477 -1.674 20 0 GAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000595996912 1074560541 /nfs/dbraw/zinc/56/05/41/1074560541.db2.gz YMJYAHWFRJCEQB-HUUCEWRRSA-N 2 2 381.477 -1.674 20 0 GAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000595996914 1074560644 /nfs/dbraw/zinc/56/06/44/1074560644.db2.gz YMJYAHWFRJCEQB-LSDHHAIUSA-N 2 2 381.477 -1.674 20 0 GAADLP COC(=O)COCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000597169874 1074563993 /nfs/dbraw/zinc/56/39/93/1074563993.db2.gz ZONWIZXDJKXYLN-UHFFFAOYSA-N 2 2 384.477 -1.127 20 0 GAADLP COC(=O)[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000601439815 530085073 /nfs/dbraw/zinc/08/50/73/530085073.db2.gz MWSKTXWWRKAUHK-HNNXBMFYSA-N 2 2 376.523 -1.010 20 0 GAADLP COC(=O)[C@@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000601439815 530085070 /nfs/dbraw/zinc/08/50/70/530085070.db2.gz MWSKTXWWRKAUHK-HNNXBMFYSA-N 2 2 376.523 -1.010 20 0 GAADLP COC(=O)[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC[N@@H+](C)C1 ZINC000601439816 530085238 /nfs/dbraw/zinc/08/52/38/530085238.db2.gz MWSKTXWWRKAUHK-OAHLLOKOSA-N 2 2 376.523 -1.010 20 0 GAADLP COC(=O)[C@H]1CN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC[N@H+](C)C1 ZINC000601439816 530085236 /nfs/dbraw/zinc/08/52/36/530085236.db2.gz MWSKTXWWRKAUHK-OAHLLOKOSA-N 2 2 376.523 -1.010 20 0 GAADLP Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000602205014 1074567209 /nfs/dbraw/zinc/56/72/09/1074567209.db2.gz NPIMBNRDFFQMRP-CYBMUJFWSA-N 2 2 384.506 -1.017 20 0 GAADLP Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000602205014 1074567200 /nfs/dbraw/zinc/56/72/00/1074567200.db2.gz NPIMBNRDFFQMRP-CYBMUJFWSA-N 2 2 384.506 -1.017 20 0 GAADLP Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000602205015 1074567806 /nfs/dbraw/zinc/56/78/06/1074567806.db2.gz NPIMBNRDFFQMRP-ZDUSSCGKSA-N 2 2 384.506 -1.017 20 0 GAADLP Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000602205015 1074567794 /nfs/dbraw/zinc/56/77/94/1074567794.db2.gz NPIMBNRDFFQMRP-ZDUSSCGKSA-N 2 2 384.506 -1.017 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)COCC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000604028233 1074576611 /nfs/dbraw/zinc/57/66/11/1074576611.db2.gz UANSIZLIUQWPAW-IYBDPMFKSA-N 2 2 386.493 -1.947 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000604885748 530090951 /nfs/dbraw/zinc/09/09/51/530090951.db2.gz JRCQFDVDVNFWIA-ISANGGDFSA-N 2 2 380.536 -1.210 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000604885748 530090950 /nfs/dbraw/zinc/09/09/50/530090950.db2.gz JRCQFDVDVNFWIA-ISANGGDFSA-N 2 2 380.536 -1.210 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000604885748 530090947 /nfs/dbraw/zinc/09/09/47/530090947.db2.gz JRCQFDVDVNFWIA-ISANGGDFSA-N 2 2 380.536 -1.210 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000604885748 530090945 /nfs/dbraw/zinc/09/09/45/530090945.db2.gz JRCQFDVDVNFWIA-ISANGGDFSA-N 2 2 380.536 -1.210 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000604885749 530090443 /nfs/dbraw/zinc/09/04/43/530090443.db2.gz JRCQFDVDVNFWIA-JHZNUDOXSA-N 2 2 380.536 -1.210 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000604885749 530090441 /nfs/dbraw/zinc/09/04/41/530090441.db2.gz JRCQFDVDVNFWIA-JHZNUDOXSA-N 2 2 380.536 -1.210 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000604885750 530090761 /nfs/dbraw/zinc/09/07/61/530090761.db2.gz JRCQFDVDVNFWIA-LQOBQMSGSA-N 2 2 380.536 -1.210 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000604885750 530090758 /nfs/dbraw/zinc/09/07/58/530090758.db2.gz JRCQFDVDVNFWIA-LQOBQMSGSA-N 2 2 380.536 -1.210 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000604885750 530090755 /nfs/dbraw/zinc/09/07/55/530090755.db2.gz JRCQFDVDVNFWIA-LQOBQMSGSA-N 2 2 380.536 -1.210 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000604885750 530090752 /nfs/dbraw/zinc/09/07/52/530090752.db2.gz JRCQFDVDVNFWIA-LQOBQMSGSA-N 2 2 380.536 -1.210 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000604885751 530090559 /nfs/dbraw/zinc/09/05/59/530090559.db2.gz JRCQFDVDVNFWIA-LSMGEYOZSA-N 2 2 380.536 -1.210 20 0 GAADLP CS(=O)(=O)N[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000604885751 530090555 /nfs/dbraw/zinc/09/05/55/530090555.db2.gz JRCQFDVDVNFWIA-LSMGEYOZSA-N 2 2 380.536 -1.210 20 0 GAADLP C[C@H]1CN(C(=O)CN2CC[NH+](C)CC2)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000608013839 1074583571 /nfs/dbraw/zinc/58/35/71/1074583571.db2.gz KLSVYQHVCATLSD-KRWDZBQOSA-N 2 2 380.537 -1.460 20 0 GAADLP C[C@@H]1CN(C(=O)CN2CC[NH+](C)CC2)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000608474501 1074584272 /nfs/dbraw/zinc/58/42/72/1074584272.db2.gz KLSVYQHVCATLSD-QGZVFWFLSA-N 2 2 380.537 -1.460 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CC[NH+](CCCC(=O)NC(N)=O)CC2)CC1 ZINC000609203447 530073943 /nfs/dbraw/zinc/07/39/43/530073943.db2.gz CSGZUXSDTCINOX-UHFFFAOYSA-N 2 2 376.483 -1.929 20 0 GAADLP COC(=O)c1c(N2CC[NH+](CCO)CC2)ncnc1N1CC[NH+](CCO)CC1 ZINC000610722630 1073578313 /nfs/dbraw/zinc/57/83/13/1073578313.db2.gz LQMDFGNJGYCQPV-UHFFFAOYSA-N 2 2 394.476 -1.508 20 0 GAADLP C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000611654274 1074304416 /nfs/dbraw/zinc/30/44/16/1074304416.db2.gz NQKKPWNTSKBQCA-UHFFFAOYSA-N 2 2 388.538 -1.100 20 0 GAADLP CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000612194482 530112999 /nfs/dbraw/zinc/11/29/99/530112999.db2.gz CDLXIRJMKYIVRR-CHWSQXEVSA-N 2 2 378.495 -2.134 20 0 GAADLP CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000612194484 530113116 /nfs/dbraw/zinc/11/31/16/530113116.db2.gz CDLXIRJMKYIVRR-OLZOCXBDSA-N 2 2 378.495 -2.134 20 0 GAADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000612194486 530113011 /nfs/dbraw/zinc/11/30/11/530113011.db2.gz CDLXIRJMKYIVRR-QWHCGFSZSA-N 2 2 378.495 -2.134 20 0 GAADLP CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000612194487 530112990 /nfs/dbraw/zinc/11/29/90/530112990.db2.gz CDLXIRJMKYIVRR-STQMWFEESA-N 2 2 378.495 -2.134 20 0 GAADLP CC1[C@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)[C@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000613698372 1073869662 /nfs/dbraw/zinc/86/96/62/1073869662.db2.gz XPLJVEPGGOZZMX-LAQRGFTBSA-N 2 2 396.532 -1.082 20 0 GAADLP CC1[C@H](C(=O)N2CC[NH+](CCO)[C@@H](C)C2)[C@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000613698372 1073869652 /nfs/dbraw/zinc/86/96/52/1073869652.db2.gz XPLJVEPGGOZZMX-LAQRGFTBSA-N 2 2 396.532 -1.082 20 0 GAADLP CC1[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000613698374 1073869736 /nfs/dbraw/zinc/86/97/36/1073869736.db2.gz XPLJVEPGGOZZMX-LMSBXDPUSA-N 2 2 396.532 -1.082 20 0 GAADLP CC1[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000613698374 1073869732 /nfs/dbraw/zinc/86/97/32/1073869732.db2.gz XPLJVEPGGOZZMX-LMSBXDPUSA-N 2 2 396.532 -1.082 20 0 GAADLP C[C@H]1[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000613698375 1073869609 /nfs/dbraw/zinc/86/96/09/1073869609.db2.gz XPLJVEPGGOZZMX-PNKHAZJDSA-N 2 2 396.532 -1.082 20 0 GAADLP C[C@H]1[C@H](C(=O)N2CC[NH+](CCO)[C@H](C)C2)[C@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000613698375 1073869599 /nfs/dbraw/zinc/86/95/99/1073869599.db2.gz XPLJVEPGGOZZMX-PNKHAZJDSA-N 2 2 396.532 -1.082 20 0 GAADLP C[C@H]1[C@H](C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000613698375 1073869585 /nfs/dbraw/zinc/86/95/85/1073869585.db2.gz XPLJVEPGGOZZMX-PNKHAZJDSA-N 2 2 396.532 -1.082 20 0 GAADLP C[C@H]1[C@H](C(=O)N2CC[N@H+](CCO)[C@H](C)C2)[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000613698375 1073869573 /nfs/dbraw/zinc/86/95/73/1073869573.db2.gz XPLJVEPGGOZZMX-PNKHAZJDSA-N 2 2 396.532 -1.082 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000615214602 1074437242 /nfs/dbraw/zinc/43/72/42/1074437242.db2.gz FAARVMVZDMAOAG-HRCADAONSA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000615214602 1074437237 /nfs/dbraw/zinc/43/72/37/1074437237.db2.gz FAARVMVZDMAOAG-HRCADAONSA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000615214602 1074437232 /nfs/dbraw/zinc/43/72/32/1074437232.db2.gz FAARVMVZDMAOAG-HRCADAONSA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000615214602 1074437228 /nfs/dbraw/zinc/43/72/28/1074437228.db2.gz FAARVMVZDMAOAG-HRCADAONSA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000615214603 1074437090 /nfs/dbraw/zinc/43/70/90/1074437090.db2.gz FAARVMVZDMAOAG-JYJNAYRXSA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000615214603 1074437084 /nfs/dbraw/zinc/43/70/84/1074437084.db2.gz FAARVMVZDMAOAG-JYJNAYRXSA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000615214603 1074437080 /nfs/dbraw/zinc/43/70/80/1074437080.db2.gz FAARVMVZDMAOAG-JYJNAYRXSA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000615214603 1074437071 /nfs/dbraw/zinc/43/70/71/1074437071.db2.gz FAARVMVZDMAOAG-JYJNAYRXSA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000615214604 1074437271 /nfs/dbraw/zinc/43/72/71/1074437271.db2.gz FAARVMVZDMAOAG-OWCLPIDISA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000615214604 1074437268 /nfs/dbraw/zinc/43/72/68/1074437268.db2.gz FAARVMVZDMAOAG-OWCLPIDISA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000615214604 1074437265 /nfs/dbraw/zinc/43/72/65/1074437265.db2.gz FAARVMVZDMAOAG-OWCLPIDISA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000615214604 1074437261 /nfs/dbraw/zinc/43/72/61/1074437261.db2.gz FAARVMVZDMAOAG-OWCLPIDISA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000615214606 1074437163 /nfs/dbraw/zinc/43/71/63/1074437163.db2.gz FAARVMVZDMAOAG-PMPSAXMXSA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000615214606 1074437158 /nfs/dbraw/zinc/43/71/58/1074437158.db2.gz FAARVMVZDMAOAG-PMPSAXMXSA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000615214606 1074437154 /nfs/dbraw/zinc/43/71/54/1074437154.db2.gz FAARVMVZDMAOAG-PMPSAXMXSA-N 2 2 386.493 -1.637 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000615214606 1074437147 /nfs/dbraw/zinc/43/71/47/1074437147.db2.gz FAARVMVZDMAOAG-PMPSAXMXSA-N 2 2 386.493 -1.637 20 0 GAADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)[C@H]1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000616162995 1074682501 /nfs/dbraw/zinc/68/25/01/1074682501.db2.gz NQKICSGISGQGNO-ADHGMGHFSA-N 2 2 396.532 -1.082 20 0 GAADLP C[C@@H]1[C@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)[C@H]1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000616162995 1074682499 /nfs/dbraw/zinc/68/24/99/1074682499.db2.gz NQKICSGISGQGNO-ADHGMGHFSA-N 2 2 396.532 -1.082 20 0 GAADLP C[C@@H]1[C@H](C(=O)N2CC[N@@H+](CCO)C[C@H]2C)[C@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000616162995 1074682495 /nfs/dbraw/zinc/68/24/95/1074682495.db2.gz NQKICSGISGQGNO-ADHGMGHFSA-N 2 2 396.532 -1.082 20 0 GAADLP C[C@@H]1[C@H](C(=O)N2CC[N@H+](CCO)C[C@H]2C)[C@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000616162995 1074682492 /nfs/dbraw/zinc/68/24/92/1074682492.db2.gz NQKICSGISGQGNO-ADHGMGHFSA-N 2 2 396.532 -1.082 20 0 GAADLP CC1[C@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)[C@H]1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000616162996 1074682523 /nfs/dbraw/zinc/68/25/23/1074682523.db2.gz NQKICSGISGQGNO-LAQRGFTBSA-N 2 2 396.532 -1.082 20 0 GAADLP CC1[C@H](C(=O)N2CC[NH+](CCO)C[C@@H]2C)[C@H]1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000616162996 1074682518 /nfs/dbraw/zinc/68/25/18/1074682518.db2.gz NQKICSGISGQGNO-LAQRGFTBSA-N 2 2 396.532 -1.082 20 0 GAADLP CC1[C@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)[C@H]1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000616162997 1074682473 /nfs/dbraw/zinc/68/24/73/1074682473.db2.gz NQKICSGISGQGNO-LMSBXDPUSA-N 2 2 396.532 -1.082 20 0 GAADLP CC1[C@H](C(=O)N2CC[NH+](CCO)C[C@H]2C)[C@H]1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000616162997 1074682472 /nfs/dbraw/zinc/68/24/72/1074682472.db2.gz NQKICSGISGQGNO-LMSBXDPUSA-N 2 2 396.532 -1.082 20 0 GAADLP CC1[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000616551923 1074684136 /nfs/dbraw/zinc/68/41/36/1074684136.db2.gz XBIZXIDRSCRHIH-BDXSIMOUSA-N 2 2 392.500 -1.577 20 0 GAADLP CC1[C@H](C(=O)N2CC([NH+]3CC[C@@H](O)C3)C2)[C@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000616551923 1074684130 /nfs/dbraw/zinc/68/41/30/1074684130.db2.gz XBIZXIDRSCRHIH-BDXSIMOUSA-N 2 2 392.500 -1.577 20 0 GAADLP Cn1c2ncn(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2c(=O)n(C)c1=O ZINC000617767933 1074688080 /nfs/dbraw/zinc/68/80/80/1074688080.db2.gz ISJVCFNAAXNBHX-UHFFFAOYSA-N 2 2 393.492 -1.177 20 0 GAADLP Cn1c2ncn(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2c(=O)n(C)c1=O ZINC000617767933 1074688079 /nfs/dbraw/zinc/68/80/79/1074688079.db2.gz ISJVCFNAAXNBHX-UHFFFAOYSA-N 2 2 393.492 -1.177 20 0 GAADLP Cn1cnc2c1c(=O)n(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(=O)n2C ZINC000617768482 1074688125 /nfs/dbraw/zinc/68/81/25/1074688125.db2.gz GCQAFIFMIIHXIA-UHFFFAOYSA-N 2 2 379.465 -1.567 20 0 GAADLP Cn1cnc2c1c(=O)n(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(=O)n2C ZINC000617768482 1074688120 /nfs/dbraw/zinc/68/81/20/1074688120.db2.gz GCQAFIFMIIHXIA-UHFFFAOYSA-N 2 2 379.465 -1.567 20 0 GAADLP Cn1c2ncn(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2c(=O)n(C)c1=O ZINC000617768513 1074688196 /nfs/dbraw/zinc/68/81/96/1074688196.db2.gz HCXYVFBYRQCEHP-UHFFFAOYSA-N 2 2 379.465 -1.567 20 0 GAADLP Cn1c2ncn(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2c(=O)n(C)c1=O ZINC000617768513 1074688190 /nfs/dbraw/zinc/68/81/90/1074688190.db2.gz HCXYVFBYRQCEHP-UHFFFAOYSA-N 2 2 379.465 -1.567 20 0 GAADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000618305191 1073654357 /nfs/dbraw/zinc/65/43/57/1073654357.db2.gz NDEBMHZVVSCUBA-INIZCTEOSA-N 2 2 397.520 -1.355 20 0 GAADLP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000618305196 1074689904 /nfs/dbraw/zinc/68/99/04/1074689904.db2.gz NDEBMHZVVSCUBA-MRXNPFEDSA-N 2 2 397.520 -1.355 20 0 GAADLP C[C@@H]1[C@H](C)N(C(=O)CN2CC[NH+](C)CC2)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000620746820 1074703637 /nfs/dbraw/zinc/70/36/37/1074703637.db2.gz HBUBFZMVXQXYDM-HDICACEKSA-N 2 2 394.564 -1.071 20 0 GAADLP C[C@@H]1[C@@H](C)N(C(=O)CN2CC[NH+](C)CC2)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000620746821 1074703568 /nfs/dbraw/zinc/70/35/68/1074703568.db2.gz HBUBFZMVXQXYDM-QZTJIDSGSA-N 2 2 394.564 -1.071 20 0 GAADLP C[C@H]1[C@H](C)N(C(=O)CN2CC[NH+](C)CC2)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000620746822 1074703657 /nfs/dbraw/zinc/70/36/57/1074703657.db2.gz HBUBFZMVXQXYDM-ROUUACIJSA-N 2 2 394.564 -1.071 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H](C)O2)O1 ZINC000623028647 1073585743 /nfs/dbraw/zinc/58/57/43/1073585743.db2.gz RQRYMNDLCSOMDJ-CWVYHPPDSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2C[N@H+](C)C[C@H](C)O2)O1 ZINC000623028647 1073585731 /nfs/dbraw/zinc/58/57/31/1073585731.db2.gz RQRYMNDLCSOMDJ-CWVYHPPDSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2C[NH+](C)C[C@H](C)O2)O1 ZINC000623028647 1073585725 /nfs/dbraw/zinc/58/57/25/1073585725.db2.gz RQRYMNDLCSOMDJ-CWVYHPPDSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2C[NH+](C)C[C@H](C)O2)O1 ZINC000623028647 1073585715 /nfs/dbraw/zinc/58/57/15/1073585715.db2.gz RQRYMNDLCSOMDJ-CWVYHPPDSA-N 2 2 386.493 -1.640 20 0 GAADLP CN(C)S(=O)(=O)N1CC(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623639298 1074726504 /nfs/dbraw/zinc/72/65/04/1074726504.db2.gz MRAWCGZTTNPAHW-CYBMUJFWSA-N 2 2 388.538 -1.055 20 0 GAADLP CN(C)S(=O)(=O)N1CC(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623639298 1074726494 /nfs/dbraw/zinc/72/64/94/1074726494.db2.gz MRAWCGZTTNPAHW-CYBMUJFWSA-N 2 2 388.538 -1.055 20 0 GAADLP CN(C)S(=O)(=O)N1CC(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623639299 1074726353 /nfs/dbraw/zinc/72/63/53/1074726353.db2.gz MRAWCGZTTNPAHW-ZDUSSCGKSA-N 2 2 388.538 -1.055 20 0 GAADLP CN(C)S(=O)(=O)N1CC(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000623639299 1074726351 /nfs/dbraw/zinc/72/63/51/1074726351.db2.gz MRAWCGZTTNPAHW-ZDUSSCGKSA-N 2 2 388.538 -1.055 20 0 GAADLP CN(C)S(=O)(=O)N1CC([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000624283190 530173819 /nfs/dbraw/zinc/17/38/19/530173819.db2.gz HIRYBPLFHWJJPE-UHFFFAOYSA-N 2 2 375.539 -1.137 20 0 GAADLP CN(C)S(=O)(=O)N1CC([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000624283190 530173817 /nfs/dbraw/zinc/17/38/17/530173817.db2.gz HIRYBPLFHWJJPE-UHFFFAOYSA-N 2 2 375.539 -1.137 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000625409662 1073524240 /nfs/dbraw/zinc/52/42/40/1073524240.db2.gz ILWOHHRUZLBRKF-HNNXBMFYSA-N 2 2 383.493 -1.426 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000625409662 1073524229 /nfs/dbraw/zinc/52/42/29/1073524229.db2.gz ILWOHHRUZLBRKF-HNNXBMFYSA-N 2 2 383.493 -1.426 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000625409663 1074836256 /nfs/dbraw/zinc/83/62/56/1074836256.db2.gz ILWOHHRUZLBRKF-OAHLLOKOSA-N 2 2 383.493 -1.426 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000625409663 1074836252 /nfs/dbraw/zinc/83/62/52/1074836252.db2.gz ILWOHHRUZLBRKF-OAHLLOKOSA-N 2 2 383.493 -1.426 20 0 GAADLP CN(C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625468753 1074837880 /nfs/dbraw/zinc/83/78/80/1074837880.db2.gz USLSYSXOWUFQII-CVEARBPZSA-N 2 2 395.504 -1.284 20 0 GAADLP CN(C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625468753 1074837875 /nfs/dbraw/zinc/83/78/75/1074837875.db2.gz USLSYSXOWUFQII-CVEARBPZSA-N 2 2 395.504 -1.284 20 0 GAADLP CN(C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625468755 1074837977 /nfs/dbraw/zinc/83/79/77/1074837977.db2.gz USLSYSXOWUFQII-HOTGVXAUSA-N 2 2 395.504 -1.284 20 0 GAADLP CN(C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625468755 1074837975 /nfs/dbraw/zinc/83/79/75/1074837975.db2.gz USLSYSXOWUFQII-HOTGVXAUSA-N 2 2 395.504 -1.284 20 0 GAADLP CN(C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625468759 1074838036 /nfs/dbraw/zinc/83/80/36/1074838036.db2.gz USLSYSXOWUFQII-HZPDHXFCSA-N 2 2 395.504 -1.284 20 0 GAADLP CN(C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625468759 1074838034 /nfs/dbraw/zinc/83/80/34/1074838034.db2.gz USLSYSXOWUFQII-HZPDHXFCSA-N 2 2 395.504 -1.284 20 0 GAADLP CN(C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625468761 1074837949 /nfs/dbraw/zinc/83/79/49/1074837949.db2.gz USLSYSXOWUFQII-JKSUJKDBSA-N 2 2 395.504 -1.284 20 0 GAADLP CN(C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625468761 1074837944 /nfs/dbraw/zinc/83/79/44/1074837944.db2.gz USLSYSXOWUFQII-JKSUJKDBSA-N 2 2 395.504 -1.284 20 0 GAADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000627169362 1075771166 /nfs/dbraw/zinc/77/11/66/1075771166.db2.gz UREKFIFAEOGQIB-LSDHHAIUSA-N 2 2 388.538 -1.054 20 0 GAADLP C[NH2+]CCOCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000627178022 1075771355 /nfs/dbraw/zinc/77/13/55/1075771355.db2.gz PLFNQGYFYZEAMU-UHFFFAOYSA-N 2 2 392.526 -1.958 20 0 GAADLP C[C@@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC000627195358 1075771431 /nfs/dbraw/zinc/77/14/31/1075771431.db2.gz KZRJMGIHVLYNQQ-CABCVRRESA-N 2 2 388.538 -1.054 20 0 GAADLP C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC000627195359 1075771531 /nfs/dbraw/zinc/77/15/31/1075771531.db2.gz KZRJMGIHVLYNQQ-GJZGRUSLSA-N 2 2 388.538 -1.054 20 0 GAADLP C[C@@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC000627195360 1075771485 /nfs/dbraw/zinc/77/14/85/1075771485.db2.gz KZRJMGIHVLYNQQ-HUUCEWRRSA-N 2 2 388.538 -1.054 20 0 GAADLP C[C@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[NH2+]1 ZINC000627195361 1075771388 /nfs/dbraw/zinc/77/13/88/1075771388.db2.gz KZRJMGIHVLYNQQ-LSDHHAIUSA-N 2 2 388.538 -1.054 20 0 GAADLP O=C(NCCCCn1cc[nH+]c1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627292747 1075771738 /nfs/dbraw/zinc/77/17/38/1075771738.db2.gz CCHLTWIREILXCB-UHFFFAOYSA-N 2 2 391.476 -1.051 20 0 GAADLP Cn1c[nH+]c(CCNC(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000627307785 1074794133 /nfs/dbraw/zinc/79/41/33/1074794133.db2.gz WZESVOUXMAHLBY-UHFFFAOYSA-N 2 2 377.449 -1.752 20 0 GAADLP C[NH2+]CCOCCN(C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000627308658 1075771943 /nfs/dbraw/zinc/77/19/43/1075771943.db2.gz VLLDKIKZYSUCQE-UHFFFAOYSA-N 2 2 386.493 -1.322 20 0 GAADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3COCC[NH2+]3)cn2)CC1 ZINC000627324061 1075772805 /nfs/dbraw/zinc/77/28/05/1075772805.db2.gz OYLGQFLPWMNVDF-HNNXBMFYSA-N 2 2 376.461 -1.446 20 0 GAADLP C[NH+]1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)cn2)CC1 ZINC000627324062 1075773267 /nfs/dbraw/zinc/77/32/67/1075773267.db2.gz OYLGQFLPWMNVDF-OAHLLOKOSA-N 2 2 376.461 -1.446 20 0 GAADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627326091 1075773125 /nfs/dbraw/zinc/77/31/25/1075773125.db2.gz FZEYOIANTMSAQD-CVEARBPZSA-N 2 2 390.488 -1.187 20 0 GAADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627326092 1075773343 /nfs/dbraw/zinc/77/33/43/1075773343.db2.gz FZEYOIANTMSAQD-HOTGVXAUSA-N 2 2 390.488 -1.187 20 0 GAADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627326093 1075773237 /nfs/dbraw/zinc/77/32/37/1075773237.db2.gz FZEYOIANTMSAQD-HZPDHXFCSA-N 2 2 390.488 -1.187 20 0 GAADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627326094 1075773330 /nfs/dbraw/zinc/77/33/30/1075773330.db2.gz FZEYOIANTMSAQD-JKSUJKDBSA-N 2 2 390.488 -1.187 20 0 GAADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627329630 1075773296 /nfs/dbraw/zinc/77/32/96/1075773296.db2.gz PRLRTCTYWYECSV-HNNXBMFYSA-N 2 2 391.476 -1.791 20 0 GAADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627329631 1075773091 /nfs/dbraw/zinc/77/30/91/1075773091.db2.gz PRLRTCTYWYECSV-OAHLLOKOSA-N 2 2 391.476 -1.791 20 0 GAADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000627332028 1075773684 /nfs/dbraw/zinc/77/36/84/1075773684.db2.gz OUJHZAMWVWVWMM-HNNXBMFYSA-N 2 2 376.461 -1.446 20 0 GAADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000627332029 1075773607 /nfs/dbraw/zinc/77/36/07/1075773607.db2.gz OUJHZAMWVWVWMM-OAHLLOKOSA-N 2 2 376.461 -1.446 20 0 GAADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC[C@H]3COCC[NH2+]3)ccn2)CC1 ZINC000627338385 1075774002 /nfs/dbraw/zinc/77/40/02/1075774002.db2.gz DQIYMUVZNQWXMJ-HNNXBMFYSA-N 2 2 376.461 -1.446 20 0 GAADLP C[NH+]1CCN(c2cc(CNC(=O)C(=O)NC[C@@H]3COCC[NH2+]3)ccn2)CC1 ZINC000627338386 1075773873 /nfs/dbraw/zinc/77/38/73/1075773873.db2.gz DQIYMUVZNQWXMJ-OAHLLOKOSA-N 2 2 376.461 -1.446 20 0 GAADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627352548 1075774195 /nfs/dbraw/zinc/77/41/95/1075774195.db2.gz AJHCVSAYUTVSQF-INIZCTEOSA-N 3 2 390.488 -1.186 20 0 GAADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627352549 1075774732 /nfs/dbraw/zinc/77/47/32/1075774732.db2.gz AJHCVSAYUTVSQF-MRXNPFEDSA-N 3 2 390.488 -1.186 20 0 GAADLP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000627355611 1075774682 /nfs/dbraw/zinc/77/46/82/1075774682.db2.gz LLGOYCLKOLUAAL-CABCVRRESA-N 2 2 396.492 -2.009 20 0 GAADLP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000627355611 1075774679 /nfs/dbraw/zinc/77/46/79/1075774679.db2.gz LLGOYCLKOLUAAL-CABCVRRESA-N 2 2 396.492 -2.009 20 0 GAADLP C[C@H](NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000627355612 1075774774 /nfs/dbraw/zinc/77/47/74/1075774774.db2.gz LLGOYCLKOLUAAL-GJZGRUSLSA-N 2 2 396.492 -2.009 20 0 GAADLP C[C@H](NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000627355612 1075774770 /nfs/dbraw/zinc/77/47/70/1075774770.db2.gz LLGOYCLKOLUAAL-GJZGRUSLSA-N 2 2 396.492 -2.009 20 0 GAADLP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000627355613 1075774792 /nfs/dbraw/zinc/77/47/92/1075774792.db2.gz LLGOYCLKOLUAAL-HUUCEWRRSA-N 2 2 396.492 -2.009 20 0 GAADLP C[C@@H](NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000627355613 1075774787 /nfs/dbraw/zinc/77/47/87/1075774787.db2.gz LLGOYCLKOLUAAL-HUUCEWRRSA-N 2 2 396.492 -2.009 20 0 GAADLP C[C@H](NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000627355614 1075774702 /nfs/dbraw/zinc/77/47/02/1075774702.db2.gz LLGOYCLKOLUAAL-LSDHHAIUSA-N 2 2 396.492 -2.009 20 0 GAADLP C[C@H](NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000627355614 1075774697 /nfs/dbraw/zinc/77/46/97/1075774697.db2.gz LLGOYCLKOLUAAL-LSDHHAIUSA-N 2 2 396.492 -2.009 20 0 GAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627385837 1075775818 /nfs/dbraw/zinc/77/58/18/1075775818.db2.gz YAWSKLSTPRAWDB-AWEZNQCLSA-N 2 2 377.449 -1.443 20 0 GAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627385838 1075775765 /nfs/dbraw/zinc/77/57/65/1075775765.db2.gz YAWSKLSTPRAWDB-CQSZACIVSA-N 2 2 377.449 -1.443 20 0 GAADLP O=C(NCCCn1cc[nH+]c1)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000627390358 1075775839 /nfs/dbraw/zinc/77/58/39/1075775839.db2.gz KQHAOBDWYYGYOK-UHFFFAOYSA-N 2 2 377.449 -1.441 20 0 GAADLP Cc1cc(NCCNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000627402670 1075776406 /nfs/dbraw/zinc/77/64/06/1075776406.db2.gz NJJQNTYAHWRWCB-UHFFFAOYSA-N 2 2 391.476 -1.015 20 0 GAADLP C[NH2+]CCOCCNC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000627462992 1075777824 /nfs/dbraw/zinc/77/78/24/1075777824.db2.gz KLKZBNLBYGLHGW-UHFFFAOYSA-N 2 2 390.448 -1.636 20 0 GAADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000627470839 1075778410 /nfs/dbraw/zinc/77/84/10/1075778410.db2.gz ABPHIAYQOGRCHW-INIZCTEOSA-N 2 2 395.504 -1.506 20 0 GAADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000627470840 1075778376 /nfs/dbraw/zinc/77/83/76/1075778376.db2.gz ABPHIAYQOGRCHW-MRXNPFEDSA-N 2 2 395.504 -1.506 20 0 GAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627487576 1075779495 /nfs/dbraw/zinc/77/94/95/1075779495.db2.gz GUVSUALNGIGLRY-UHFFFAOYSA-N 2 2 390.448 -1.507 20 0 GAADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000627506602 1075779930 /nfs/dbraw/zinc/77/99/30/1075779930.db2.gz ZVODHTKXUPFUGI-CQSZACIVSA-N 2 2 389.460 -1.560 20 0 GAADLP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000627506602 1075779926 /nfs/dbraw/zinc/77/99/26/1075779926.db2.gz ZVODHTKXUPFUGI-CQSZACIVSA-N 2 2 389.460 -1.560 20 0 GAADLP CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000629787613 1075788999 /nfs/dbraw/zinc/78/89/99/1075788999.db2.gz FYLJOABXCXEQOR-UHFFFAOYSA-N 2 2 390.448 -1.554 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000629788108 1075789219 /nfs/dbraw/zinc/78/92/19/1075789219.db2.gz NATFXOFYBQFKOX-UHFFFAOYSA-N 2 2 396.492 -2.054 20 0 GAADLP O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629788209 1075789193 /nfs/dbraw/zinc/78/91/93/1075789193.db2.gz NOFWCKVDDJCROW-UHFFFAOYSA-N 2 2 378.477 -1.538 20 0 GAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629788698 1075789228 /nfs/dbraw/zinc/78/92/28/1075789228.db2.gz SKVDPYCYUCRNSP-UHFFFAOYSA-N 2 2 385.509 -1.177 20 0 GAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629788698 1075789226 /nfs/dbraw/zinc/78/92/26/1075789226.db2.gz SKVDPYCYUCRNSP-UHFFFAOYSA-N 2 2 385.509 -1.177 20 0 GAADLP CCN(CC[NH3+])C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000629791588 1075789427 /nfs/dbraw/zinc/78/94/27/1075789427.db2.gz KDEWPVXCEGZQSA-UHFFFAOYSA-N 2 2 390.510 -2.570 20 0 GAADLP CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000629799626 1075790432 /nfs/dbraw/zinc/79/04/32/1075790432.db2.gz RVNBFLDXPUNVEF-UHFFFAOYSA-N 2 2 391.476 -1.231 20 0 GAADLP CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000629799626 1075790428 /nfs/dbraw/zinc/79/04/28/1075790428.db2.gz RVNBFLDXPUNVEF-UHFFFAOYSA-N 2 2 391.476 -1.231 20 0 GAADLP CN(CCCn1cc[nH+]c1)C(=O)C(=O)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629800964 1075791181 /nfs/dbraw/zinc/79/11/81/1075791181.db2.gz FOVBWNCSUDXDQL-UHFFFAOYSA-N 2 2 391.476 -1.099 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN(C(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000629809540 1075793083 /nfs/dbraw/zinc/79/30/83/1075793083.db2.gz HCDZVKSCEOGSNO-HNNXBMFYSA-N 2 2 396.492 -2.319 20 0 GAADLP O=C(C(=O)N1CCn2c[nH+]cc2C1)N1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629809999 1075793484 /nfs/dbraw/zinc/79/34/84/1075793484.db2.gz MTHGWEARVATZTH-UHFFFAOYSA-N 2 2 375.433 -1.605 20 0 GAADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(CNS(=O)(=O)N2CC[NH2+]CC2)nn1 ZINC000630611136 1075795893 /nfs/dbraw/zinc/79/58/93/1075795893.db2.gz AYMZPHWNCJITEP-UHFFFAOYSA-N 3 2 388.542 -1.599 20 0 GAADLP C[NH+](C)CCC[N@H+](C)CCn1cc(CNS(=O)(=O)N2CC[NH2+]CC2)nn1 ZINC000630611136 1075795888 /nfs/dbraw/zinc/79/58/88/1075795888.db2.gz AYMZPHWNCJITEP-UHFFFAOYSA-N 3 2 388.542 -1.599 20 0 GAADLP C[C@H](CNC(=O)[C@@]1(C(=O)NC[C@H](C)[NH+](C)C)C[C@H]1S(C)(=O)=O)[NH+](C)C ZINC000630716193 530151566 /nfs/dbraw/zinc/15/15/66/530151566.db2.gz LKNDNINDSPMPNF-OQMKEHIESA-N 2 2 376.523 -1.078 20 0 GAADLP C[C@H](CNC(=O)[C@@]1(C(=O)NC[C@H](C)[NH+](C)C)C[C@@H]1S(C)(=O)=O)[NH+](C)C ZINC000630716195 530151084 /nfs/dbraw/zinc/15/10/84/530151084.db2.gz LKNDNINDSPMPNF-ZWUHOBOKSA-N 2 2 376.523 -1.078 20 0 GAADLP CN(CC[NH+](C)C)C(=O)C1(C(=O)N(C)CC[NH+](C)C)C[C@H]1S(C)(=O)=O ZINC000631599515 530175363 /nfs/dbraw/zinc/17/53/63/530175363.db2.gz KTSYHYYBPWKWBU-CYBMUJFWSA-N 2 2 376.523 -1.170 20 0 GAADLP CN(CC[NH+](C)C)C(=O)C1(C(=O)N(C)CC[NH+](C)C)C[C@@H]1S(C)(=O)=O ZINC000631599537 530175112 /nfs/dbraw/zinc/17/51/12/530175112.db2.gz KTSYHYYBPWKWBU-ZDUSSCGKSA-N 2 2 376.523 -1.170 20 0 GAADLP C[NH+](C)CCCS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000631728085 530175133 /nfs/dbraw/zinc/17/51/33/530175133.db2.gz KEYLJWLERBCIRL-UHFFFAOYSA-N 2 2 397.567 -1.622 20 0 GAADLP C[NH+]1CCN(CCCS(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000631765003 530175508 /nfs/dbraw/zinc/17/55/08/530175508.db2.gz BOWRJMGJBJYCPR-UHFFFAOYSA-N 2 2 375.539 -1.293 20 0 GAADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000631911508 1075797717 /nfs/dbraw/zinc/79/77/17/1075797717.db2.gz HXHFNOKZTRZOSJ-HNNXBMFYSA-N 2 2 384.506 -1.104 20 0 GAADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000631911509 1075797734 /nfs/dbraw/zinc/79/77/34/1075797734.db2.gz HXHFNOKZTRZOSJ-OAHLLOKOSA-N 2 2 384.506 -1.104 20 0 GAADLP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000631929676 1075797687 /nfs/dbraw/zinc/79/76/87/1075797687.db2.gz LTMOINMFDULIRL-INIZCTEOSA-N 2 2 387.550 -1.150 20 0 GAADLP C[NH+]1CCN(CCCS(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000631929677 1075797633 /nfs/dbraw/zinc/79/76/33/1075797633.db2.gz LTMOINMFDULIRL-MRXNPFEDSA-N 2 2 387.550 -1.150 20 0 GAADLP C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000632181533 530175398 /nfs/dbraw/zinc/17/53/98/530175398.db2.gz JKOZFOHSQXLKPH-HNNXBMFYSA-N 2 2 377.507 -1.194 20 0 GAADLP C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000632181533 530175395 /nfs/dbraw/zinc/17/53/95/530175395.db2.gz JKOZFOHSQXLKPH-HNNXBMFYSA-N 2 2 377.507 -1.194 20 0 GAADLP C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000632181534 530175081 /nfs/dbraw/zinc/17/50/81/530175081.db2.gz JKOZFOHSQXLKPH-OAHLLOKOSA-N 2 2 377.507 -1.194 20 0 GAADLP C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000632181534 530175079 /nfs/dbraw/zinc/17/50/79/530175079.db2.gz JKOZFOHSQXLKPH-OAHLLOKOSA-N 2 2 377.507 -1.194 20 0 GAADLP C[NH+]1CCN(CCCS(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000632593257 530176319 /nfs/dbraw/zinc/17/63/19/530176319.db2.gz SNJRQAFLDUFIIE-HNNXBMFYSA-N 2 2 375.539 -1.117 20 0 GAADLP C[NH+]1CCN(CCCS(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000632593257 530176317 /nfs/dbraw/zinc/17/63/17/530176317.db2.gz SNJRQAFLDUFIIE-HNNXBMFYSA-N 2 2 375.539 -1.117 20 0 GAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633076488 1075800381 /nfs/dbraw/zinc/80/03/81/1075800381.db2.gz QFPFXYUHLWAXBF-BETUJISGSA-N 2 2 384.444 -1.025 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)COC2)C1 ZINC000633913889 1075802088 /nfs/dbraw/zinc/80/20/88/1075802088.db2.gz FMWZNGBPOHJRTL-CABCVRRESA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)COC2)C1 ZINC000633913889 1075802081 /nfs/dbraw/zinc/80/20/81/1075802081.db2.gz FMWZNGBPOHJRTL-CABCVRRESA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)COC2)C1 ZINC000633913889 1075802076 /nfs/dbraw/zinc/80/20/76/1075802076.db2.gz FMWZNGBPOHJRTL-CABCVRRESA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](CC)CCO3)COC2)C1 ZINC000633913889 1075802073 /nfs/dbraw/zinc/80/20/73/1075802073.db2.gz FMWZNGBPOHJRTL-CABCVRRESA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)COC2)C1 ZINC000633913890 1075802181 /nfs/dbraw/zinc/80/21/81/1075802181.db2.gz FMWZNGBPOHJRTL-GJZGRUSLSA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)COC2)C1 ZINC000633913890 1075802176 /nfs/dbraw/zinc/80/21/76/1075802176.db2.gz FMWZNGBPOHJRTL-GJZGRUSLSA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)COC2)C1 ZINC000633913890 1075802173 /nfs/dbraw/zinc/80/21/73/1075802173.db2.gz FMWZNGBPOHJRTL-GJZGRUSLSA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)COC2)C1 ZINC000633913890 1075802166 /nfs/dbraw/zinc/80/21/66/1075802166.db2.gz FMWZNGBPOHJRTL-GJZGRUSLSA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)COC2)C1 ZINC000633913891 1075802246 /nfs/dbraw/zinc/80/22/46/1075802246.db2.gz FMWZNGBPOHJRTL-HUUCEWRRSA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](CC)CCO3)COC2)C1 ZINC000633913891 1075802242 /nfs/dbraw/zinc/80/22/42/1075802242.db2.gz FMWZNGBPOHJRTL-HUUCEWRRSA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)COC2)C1 ZINC000633913891 1075802238 /nfs/dbraw/zinc/80/22/38/1075802238.db2.gz FMWZNGBPOHJRTL-HUUCEWRRSA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](CC)CCO3)COC2)C1 ZINC000633913891 1075802233 /nfs/dbraw/zinc/80/22/33/1075802233.db2.gz FMWZNGBPOHJRTL-HUUCEWRRSA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)COC2)C1 ZINC000633913892 1075802123 /nfs/dbraw/zinc/80/21/23/1075802123.db2.gz FMWZNGBPOHJRTL-LSDHHAIUSA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](CC)CCO3)COC2)C1 ZINC000633913892 1075802119 /nfs/dbraw/zinc/80/21/19/1075802119.db2.gz FMWZNGBPOHJRTL-LSDHHAIUSA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)COC2)C1 ZINC000633913892 1075802112 /nfs/dbraw/zinc/80/21/12/1075802112.db2.gz FMWZNGBPOHJRTL-LSDHHAIUSA-N 2 2 384.477 -1.571 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NC2(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)COC2)C1 ZINC000633913892 1075802106 /nfs/dbraw/zinc/80/21/06/1075802106.db2.gz FMWZNGBPOHJRTL-LSDHHAIUSA-N 2 2 384.477 -1.571 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)O1 ZINC000635958119 1075600549 /nfs/dbraw/zinc/60/05/49/1075600549.db2.gz RQRYMNDLCSOMDJ-IBEHDNSVSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)O1 ZINC000635958119 1075600547 /nfs/dbraw/zinc/60/05/47/1075600547.db2.gz RQRYMNDLCSOMDJ-IBEHDNSVSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)O1 ZINC000635958119 1075600545 /nfs/dbraw/zinc/60/05/45/1075600545.db2.gz RQRYMNDLCSOMDJ-IBEHDNSVSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)O1 ZINC000635958119 1075600542 /nfs/dbraw/zinc/60/05/42/1075600542.db2.gz RQRYMNDLCSOMDJ-IBEHDNSVSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H](C)O2)O1 ZINC000635958127 1075600519 /nfs/dbraw/zinc/60/05/19/1075600519.db2.gz RQRYMNDLCSOMDJ-LJIZCISZSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2C[N@H+](C)C[C@@H](C)O2)O1 ZINC000635958127 1075600518 /nfs/dbraw/zinc/60/05/18/1075600518.db2.gz RQRYMNDLCSOMDJ-LJIZCISZSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)O1 ZINC000635958127 1075600515 /nfs/dbraw/zinc/60/05/15/1075600515.db2.gz RQRYMNDLCSOMDJ-LJIZCISZSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)O1 ZINC000635958127 1075600513 /nfs/dbraw/zinc/60/05/13/1075600513.db2.gz RQRYMNDLCSOMDJ-LJIZCISZSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)C[C@H](C)O2)O1 ZINC000635958188 1075600484 /nfs/dbraw/zinc/60/04/84/1075600484.db2.gz RQRYMNDLCSOMDJ-LYYZXLFJSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)C[C@H](C)O2)O1 ZINC000635958188 1075600482 /nfs/dbraw/zinc/60/04/82/1075600482.db2.gz RQRYMNDLCSOMDJ-LYYZXLFJSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H]2C[NH+](C)C[C@H](C)O2)O1 ZINC000635958188 1075600481 /nfs/dbraw/zinc/60/04/81/1075600481.db2.gz RQRYMNDLCSOMDJ-LYYZXLFJSA-N 2 2 386.493 -1.640 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)[C@H]2C[NH+](C)C[C@H](C)O2)O1 ZINC000635958188 1075600477 /nfs/dbraw/zinc/60/04/77/1075600477.db2.gz RQRYMNDLCSOMDJ-LYYZXLFJSA-N 2 2 386.493 -1.640 20 0 GAADLP CN(C)S(=O)(=O)N1CC(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000636985994 530090626 /nfs/dbraw/zinc/09/06/26/530090626.db2.gz FCVMOWQAOSOXQF-UHFFFAOYSA-N 2 2 376.527 -1.198 20 0 GAADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000637932045 1075806740 /nfs/dbraw/zinc/80/67/40/1075806740.db2.gz KVNJUUZWMGIKBC-GDBMZVCRSA-N 2 2 389.522 -1.610 20 0 GAADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000637932046 1075806637 /nfs/dbraw/zinc/80/66/37/1075806637.db2.gz KVNJUUZWMGIKBC-GOEBONIOSA-N 2 2 389.522 -1.610 20 0 GAADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000637932047 1075806789 /nfs/dbraw/zinc/80/67/89/1075806789.db2.gz KVNJUUZWMGIKBC-HOCLYGCPSA-N 2 2 389.522 -1.610 20 0 GAADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000637932048 1075806705 /nfs/dbraw/zinc/80/67/05/1075806705.db2.gz KVNJUUZWMGIKBC-ZBFHGGJFSA-N 2 2 389.522 -1.610 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@]3(C)C[NH2+]CCO3)CC2)CC1 ZINC000637932822 530097334 /nfs/dbraw/zinc/09/73/34/530097334.db2.gz WGIIYMYQQMRGAE-HNNXBMFYSA-N 2 2 375.495 -1.999 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@]3(C)C[NH2+]CCO3)CC2)CC1 ZINC000637932823 530097248 /nfs/dbraw/zinc/09/72/48/530097248.db2.gz WGIIYMYQQMRGAE-OAHLLOKOSA-N 2 2 375.495 -1.999 20 0 GAADLP O=C(CN1CC[NH2+]CC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000638068074 1074643787 /nfs/dbraw/zinc/64/37/87/1074643787.db2.gz GKFUIJFLCMEJBG-UHFFFAOYSA-N 2 2 396.517 -1.445 20 0 GAADLP C[C@@H](C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[NH2+]CC1=O ZINC000638137374 1075806800 /nfs/dbraw/zinc/80/68/00/1075806800.db2.gz UMTSHSAQUURTBQ-HNNXBMFYSA-N 2 2 375.477 -1.075 20 0 GAADLP C[C@H](C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)N1CC[NH2+]CC1=O ZINC000638137382 1075806624 /nfs/dbraw/zinc/80/66/24/1075806624.db2.gz UMTSHSAQUURTBQ-OAHLLOKOSA-N 2 2 375.477 -1.075 20 0 GAADLP CN(C(=O)CN1CC[NH2+]CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000638277616 1075806577 /nfs/dbraw/zinc/80/65/77/1075806577.db2.gz MJUIPADNLYLNGC-UHFFFAOYSA-N 3 2 380.537 -1.412 20 0 GAADLP O=C(CN1CC[NH2+]CC1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000638282010 1075806774 /nfs/dbraw/zinc/80/67/74/1075806774.db2.gz BOAYTGXGMDLVTK-UHFFFAOYSA-N 2 2 375.477 -1.133 20 0 GAADLP O=C(CN1CC[NH2+]CC1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000638282010 1075806770 /nfs/dbraw/zinc/80/67/70/1075806770.db2.gz BOAYTGXGMDLVTK-UHFFFAOYSA-N 2 2 375.477 -1.133 20 0 GAADLP CC(C)(CNC(=O)Cn1cc(CCN2CC[NH2+]CC2)nn1)[NH+]1CCOCC1 ZINC000640865634 1075809164 /nfs/dbraw/zinc/80/91/64/1075809164.db2.gz GCBORGODKYAXBK-UHFFFAOYSA-N 2 2 379.509 -1.047 20 0 GAADLP C[N@H+]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1(C)C ZINC000641824419 1075809616 /nfs/dbraw/zinc/80/96/16/1075809616.db2.gz IQPFZXHDIGIFDP-UHFFFAOYSA-N 2 2 387.506 -2.015 20 0 GAADLP C[N@@H+]1CCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)CC1(C)C ZINC000641824419 1075809613 /nfs/dbraw/zinc/80/96/13/1075809613.db2.gz IQPFZXHDIGIFDP-UHFFFAOYSA-N 2 2 387.506 -2.015 20 0 GAADLP O=C(CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)N1CC[NH2+]CC1 ZINC000642076217 1075810365 /nfs/dbraw/zinc/81/03/65/1075810365.db2.gz MAKKCGAMJCSWLR-UHFFFAOYSA-N 2 2 395.504 -1.314 20 0 GAADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643476509 1075813930 /nfs/dbraw/zinc/81/39/30/1075813930.db2.gz BNDRKKIANSGIRQ-DLBZAZTESA-N 2 2 379.505 -1.184 20 0 GAADLP O=C(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643476510 1075813874 /nfs/dbraw/zinc/81/38/74/1075813874.db2.gz BNDRKKIANSGIRQ-IAGOWNOFSA-N 2 2 379.505 -1.184 20 0 GAADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000643476511 1075813883 /nfs/dbraw/zinc/81/38/83/1075813883.db2.gz BNDRKKIANSGIRQ-IRXDYDNUSA-N 2 2 379.505 -1.184 20 0 GAADLP O=C(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000643476512 1075814033 /nfs/dbraw/zinc/81/40/33/1075814033.db2.gz BNDRKKIANSGIRQ-SJORKVTESA-N 2 2 379.505 -1.184 20 0 GAADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000643476722 1075813657 /nfs/dbraw/zinc/81/36/57/1075813657.db2.gz MXMLNQMITKFWRF-CVEARBPZSA-N 2 2 395.504 -1.377 20 0 GAADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000643476723 1075813623 /nfs/dbraw/zinc/81/36/23/1075813623.db2.gz MXMLNQMITKFWRF-HOTGVXAUSA-N 2 2 395.504 -1.377 20 0 GAADLP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000643476724 1075813576 /nfs/dbraw/zinc/81/35/76/1075813576.db2.gz MXMLNQMITKFWRF-HZPDHXFCSA-N 2 2 395.504 -1.377 20 0 GAADLP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000643476725 1075813916 /nfs/dbraw/zinc/81/39/16/1075813916.db2.gz MXMLNQMITKFWRF-JKSUJKDBSA-N 2 2 395.504 -1.377 20 0 GAADLP O=C(C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000643483754 1075814344 /nfs/dbraw/zinc/81/43/44/1075814344.db2.gz FTKVVCAKWBIAJV-HNNXBMFYSA-N 2 2 377.489 -1.037 20 0 GAADLP O=C(C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000643483756 1075814306 /nfs/dbraw/zinc/81/43/06/1075814306.db2.gz FTKVVCAKWBIAJV-OAHLLOKOSA-N 2 2 377.489 -1.037 20 0 GAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643484697 1075814257 /nfs/dbraw/zinc/81/42/57/1075814257.db2.gz QXMKTFNMBUXZPN-CVEARBPZSA-N 2 2 397.520 -1.036 20 0 GAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643484697 1075814254 /nfs/dbraw/zinc/81/42/54/1075814254.db2.gz QXMKTFNMBUXZPN-CVEARBPZSA-N 2 2 397.520 -1.036 20 0 GAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643484698 1075814237 /nfs/dbraw/zinc/81/42/37/1075814237.db2.gz QXMKTFNMBUXZPN-HOTGVXAUSA-N 2 2 397.520 -1.036 20 0 GAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643484698 1075814230 /nfs/dbraw/zinc/81/42/30/1075814230.db2.gz QXMKTFNMBUXZPN-HOTGVXAUSA-N 2 2 397.520 -1.036 20 0 GAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643484699 1075814190 /nfs/dbraw/zinc/81/41/90/1075814190.db2.gz QXMKTFNMBUXZPN-HZPDHXFCSA-N 2 2 397.520 -1.036 20 0 GAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643484699 1075814187 /nfs/dbraw/zinc/81/41/87/1075814187.db2.gz QXMKTFNMBUXZPN-HZPDHXFCSA-N 2 2 397.520 -1.036 20 0 GAADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643484700 1075814221 /nfs/dbraw/zinc/81/42/21/1075814221.db2.gz QXMKTFNMBUXZPN-JKSUJKDBSA-N 2 2 397.520 -1.036 20 0 GAADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000643484700 1075814217 /nfs/dbraw/zinc/81/42/17/1075814217.db2.gz QXMKTFNMBUXZPN-JKSUJKDBSA-N 2 2 397.520 -1.036 20 0 GAADLP O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CC[NH+](CC2CC2)CC1 ZINC000643490728 1075814279 /nfs/dbraw/zinc/81/42/79/1075814279.db2.gz NTQLOVNHXGPSMH-INIZCTEOSA-N 2 2 377.489 -1.037 20 0 GAADLP O=C(C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CC[NH+](CC2CC2)CC1 ZINC000643490729 1075814360 /nfs/dbraw/zinc/81/43/60/1075814360.db2.gz NTQLOVNHXGPSMH-MRXNPFEDSA-N 2 2 377.489 -1.037 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[C@H](C)[N@@H+]1C ZINC000643569874 1075815386 /nfs/dbraw/zinc/81/53/86/1075815386.db2.gz NVBANYHQOUYZDO-BETUJISGSA-N 2 2 387.506 -2.017 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C[C@H](C)[N@H+]1C ZINC000643569874 1075815385 /nfs/dbraw/zinc/81/53/85/1075815385.db2.gz NVBANYHQOUYZDO-BETUJISGSA-N 2 2 387.506 -2.017 20 0 GAADLP O=C(C(=O)N1CC[NH+](CC2CC2)CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000643569910 1075815392 /nfs/dbraw/zinc/81/53/92/1075815392.db2.gz QJRNUGNCTFEKCZ-UHFFFAOYSA-N 2 2 399.517 -2.014 20 0 GAADLP O=C(C(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000643569995 1075814967 /nfs/dbraw/zinc/81/49/67/1075814967.db2.gz XODGJEIUIGHRNW-AWEZNQCLSA-N 2 2 399.517 -1.871 20 0 GAADLP O=C(C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000643569995 1075814961 /nfs/dbraw/zinc/81/49/61/1075814961.db2.gz XODGJEIUIGHRNW-AWEZNQCLSA-N 2 2 399.517 -1.871 20 0 GAADLP O=C(C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000643569996 1075814993 /nfs/dbraw/zinc/81/49/93/1075814993.db2.gz XODGJEIUIGHRNW-CQSZACIVSA-N 2 2 399.517 -1.871 20 0 GAADLP O=C(C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000643569996 1075814989 /nfs/dbraw/zinc/81/49/89/1075814989.db2.gz XODGJEIUIGHRNW-CQSZACIVSA-N 2 2 399.517 -1.871 20 0 GAADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)C[C@H]2[NH3+])cn1 ZINC000644225638 1073818590 /nfs/dbraw/zinc/81/85/90/1073818590.db2.gz PMKOKZCTOJEHHD-IXDOHACOSA-N 2 2 390.488 -1.004 20 0 GAADLP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)C[C@H]2[NH3+])cn1 ZINC000644225639 1075816410 /nfs/dbraw/zinc/81/64/10/1075816410.db2.gz PMKOKZCTOJEHHD-YESZJQIVSA-N 2 2 390.488 -1.004 20 0 GAADLP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1[NH+]1CCOCC1 ZINC000644226660 1075816379 /nfs/dbraw/zinc/81/63/79/1075816379.db2.gz SNLMNAOBDSTLGI-LLLHUVSDSA-N 2 2 390.488 -1.148 20 0 GAADLP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1[NH+]1CCOCC1 ZINC000644226662 1075816415 /nfs/dbraw/zinc/81/64/15/1075816415.db2.gz SNLMNAOBDSTLGI-QMCVQRASSA-N 2 2 390.488 -1.148 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1[NH+]1CCOCC1 ZINC000644226663 1075816344 /nfs/dbraw/zinc/81/63/44/1075816344.db2.gz SNLMNAOBDSTLGI-XBVQOTNRSA-N 2 2 390.488 -1.148 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1[NH+]1CCOCC1 ZINC000644226664 1075816392 /nfs/dbraw/zinc/81/63/92/1075816392.db2.gz SNLMNAOBDSTLGI-XLNGHYISSA-N 2 2 390.488 -1.148 20 0 GAADLP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000645596878 1075817626 /nfs/dbraw/zinc/81/76/26/1075817626.db2.gz VYZFYFANORLYPH-HNNXBMFYSA-N 2 2 375.477 -1.027 20 0 GAADLP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000645596879 1075817587 /nfs/dbraw/zinc/81/75/87/1075817587.db2.gz VYZFYFANORLYPH-OAHLLOKOSA-N 2 2 375.477 -1.027 20 0 GAADLP C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@H]2C1 ZINC000645624284 1075817968 /nfs/dbraw/zinc/81/79/68/1075817968.db2.gz AFDYOFXDSRENOA-CABCVRRESA-N 2 2 376.461 -0.684 20 0 GAADLP C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@H]2C1 ZINC000645624284 1075817957 /nfs/dbraw/zinc/81/79/57/1075817957.db2.gz AFDYOFXDSRENOA-CABCVRRESA-N 2 2 376.461 -0.684 20 0 GAADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000645624288 1075818059 /nfs/dbraw/zinc/81/80/59/1075818059.db2.gz AFDYOFXDSRENOA-GJZGRUSLSA-N 2 2 376.461 -0.684 20 0 GAADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000645624288 1075818057 /nfs/dbraw/zinc/81/80/57/1075818057.db2.gz AFDYOFXDSRENOA-GJZGRUSLSA-N 2 2 376.461 -0.684 20 0 GAADLP C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@@H]2C1 ZINC000645624291 1075818035 /nfs/dbraw/zinc/81/80/35/1075818035.db2.gz AFDYOFXDSRENOA-HUUCEWRRSA-N 2 2 376.461 -0.684 20 0 GAADLP C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@@H]2C1 ZINC000645624291 1075818032 /nfs/dbraw/zinc/81/80/32/1075818032.db2.gz AFDYOFXDSRENOA-HUUCEWRRSA-N 2 2 376.461 -0.684 20 0 GAADLP C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@@H]2C1 ZINC000645624294 1075818079 /nfs/dbraw/zinc/81/80/79/1075818079.db2.gz AFDYOFXDSRENOA-LSDHHAIUSA-N 2 2 376.461 -0.684 20 0 GAADLP C[N@@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)[C@@H]2C1 ZINC000645624294 1075818078 /nfs/dbraw/zinc/81/80/78/1075818078.db2.gz AFDYOFXDSRENOA-LSDHHAIUSA-N 2 2 376.461 -0.684 20 0 GAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000646021225 1075818610 /nfs/dbraw/zinc/81/86/10/1075818610.db2.gz PTEQJJBANRZSHP-CABCVRRESA-N 2 2 391.476 -1.135 20 0 GAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000646021226 1075818637 /nfs/dbraw/zinc/81/86/37/1075818637.db2.gz PTEQJJBANRZSHP-GJZGRUSLSA-N 2 2 391.476 -1.135 20 0 GAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000646021227 1075818669 /nfs/dbraw/zinc/81/86/69/1075818669.db2.gz PTEQJJBANRZSHP-HUUCEWRRSA-N 2 2 391.476 -1.135 20 0 GAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000646021228 1075818621 /nfs/dbraw/zinc/81/86/21/1075818621.db2.gz PTEQJJBANRZSHP-LSDHHAIUSA-N 2 2 391.476 -1.135 20 0 GAADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000646211716 530135165 /nfs/dbraw/zinc/13/51/65/530135165.db2.gz UKBNMFMPJIOIIP-KBPBESRZSA-N 2 2 376.527 -1.068 20 0 GAADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000646211719 530135070 /nfs/dbraw/zinc/13/50/70/530135070.db2.gz UKBNMFMPJIOIIP-KGLIPLIRSA-N 2 2 376.527 -1.068 20 0 GAADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000646211720 530135287 /nfs/dbraw/zinc/13/52/87/530135287.db2.gz UKBNMFMPJIOIIP-UONOGXRCSA-N 2 2 376.527 -1.068 20 0 GAADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000646211721 530135344 /nfs/dbraw/zinc/13/53/44/530135344.db2.gz UKBNMFMPJIOIIP-ZIAGYGMSSA-N 2 2 376.527 -1.068 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647561243 1075823719 /nfs/dbraw/zinc/82/37/19/1075823719.db2.gz GGUMTFVYRDVOIO-INIZCTEOSA-N 2 2 398.504 -1.539 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000647561244 1075823697 /nfs/dbraw/zinc/82/36/97/1075823697.db2.gz GGUMTFVYRDVOIO-MRXNPFEDSA-N 2 2 398.504 -1.539 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647706025 1073899919 /nfs/dbraw/zinc/89/99/19/1073899919.db2.gz ANNXHCIVWSLCJK-BBWFWOEESA-N 2 2 380.489 -1.165 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647706025 1073899902 /nfs/dbraw/zinc/89/99/02/1073899902.db2.gz ANNXHCIVWSLCJK-BBWFWOEESA-N 2 2 380.489 -1.165 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647706026 1073899684 /nfs/dbraw/zinc/89/96/84/1073899684.db2.gz ANNXHCIVWSLCJK-GVDBMIGSSA-N 2 2 380.489 -1.165 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706026 1073899675 /nfs/dbraw/zinc/89/96/75/1073899675.db2.gz ANNXHCIVWSLCJK-GVDBMIGSSA-N 2 2 380.489 -1.165 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000647706027 1073900073 /nfs/dbraw/zinc/90/00/73/1073900073.db2.gz ANNXHCIVWSLCJK-ULQDDVLXSA-N 2 2 380.489 -1.165 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647706027 1073900064 /nfs/dbraw/zinc/90/00/64/1073900064.db2.gz ANNXHCIVWSLCJK-ULQDDVLXSA-N 2 2 380.489 -1.165 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000647706028 1073899993 /nfs/dbraw/zinc/89/99/93/1073899993.db2.gz ANNXHCIVWSLCJK-YESZJQIVSA-N 2 2 380.489 -1.165 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647706028 1073899980 /nfs/dbraw/zinc/89/99/80/1073899980.db2.gz ANNXHCIVWSLCJK-YESZJQIVSA-N 2 2 380.489 -1.165 20 0 GAADLP C[NH+](C)C[C@H](CO)NC(=O)c1cccc(C(=O)N[C@H](CO)C[NH+](C)C)c1O ZINC000647709956 1073903319 /nfs/dbraw/zinc/90/33/19/1073903319.db2.gz DRGUCQSQLQUCRR-BETUJISGSA-N 2 2 382.461 -1.303 20 0 GAADLP C[NH+](C)C[C@H](CO)NC(=O)c1cccc(C(=O)N[C@@H](CO)C[NH+](C)C)c1O ZINC000647709957 1073903410 /nfs/dbraw/zinc/90/34/10/1073903410.db2.gz DRGUCQSQLQUCRR-CHWSQXEVSA-N 2 2 382.461 -1.303 20 0 GAADLP C[NH+](C)C[C@@H](CO)NC(=O)c1cccc(C(=O)N[C@H](CO)C[NH+](C)C)c1O ZINC000647709958 1073903309 /nfs/dbraw/zinc/90/33/09/1073903309.db2.gz DRGUCQSQLQUCRR-STQMWFEESA-N 2 2 382.461 -1.303 20 0 GAADLP CC(C)[N@@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000647958343 530099569 /nfs/dbraw/zinc/09/95/69/530099569.db2.gz PRXKXCPGTVOQHE-INIZCTEOSA-N 2 2 377.555 -1.203 20 0 GAADLP CC(C)[N@H+](C)C[C@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000647958343 530099566 /nfs/dbraw/zinc/09/95/66/530099566.db2.gz PRXKXCPGTVOQHE-INIZCTEOSA-N 2 2 377.555 -1.203 20 0 GAADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000647958344 530099527 /nfs/dbraw/zinc/09/95/27/530099527.db2.gz PRXKXCPGTVOQHE-MRXNPFEDSA-N 2 2 377.555 -1.203 20 0 GAADLP CC(C)[N@H+](C)C[C@@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000647958344 530099526 /nfs/dbraw/zinc/09/95/26/530099526.db2.gz PRXKXCPGTVOQHE-MRXNPFEDSA-N 2 2 377.555 -1.203 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)COC3(C)C[NH2+]C3)CC2)CC1 ZINC000647989188 530100893 /nfs/dbraw/zinc/10/08/93/530100893.db2.gz VNZRKJLYQAGYHS-UHFFFAOYSA-N 2 2 375.495 -1.999 20 0 GAADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000649077306 1075829128 /nfs/dbraw/zinc/82/91/28/1075829128.db2.gz PRKDUIUCHQCTOJ-CVEARBPZSA-N 2 2 395.504 -1.255 20 0 GAADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000649077307 1075829155 /nfs/dbraw/zinc/82/91/55/1075829155.db2.gz PRKDUIUCHQCTOJ-HOTGVXAUSA-N 2 2 395.504 -1.255 20 0 GAADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000649077308 1075829200 /nfs/dbraw/zinc/82/92/00/1075829200.db2.gz PRKDUIUCHQCTOJ-HZPDHXFCSA-N 2 2 395.504 -1.255 20 0 GAADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000649077309 1075829175 /nfs/dbraw/zinc/82/91/75/1075829175.db2.gz PRKDUIUCHQCTOJ-JKSUJKDBSA-N 2 2 395.504 -1.255 20 0 GAADLP C[NH+](C)CCN1CCN(CCC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)CC1=O ZINC000649685596 1075844636 /nfs/dbraw/zinc/84/46/36/1075844636.db2.gz GBKKBJSEKVZUCN-UHFFFAOYSA-N 3 2 382.553 -1.212 20 0 GAADLP C[NH+](C)CCN1CCN(CCC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)CC1=O ZINC000649685596 1075844633 /nfs/dbraw/zinc/84/46/33/1075844633.db2.gz GBKKBJSEKVZUCN-UHFFFAOYSA-N 3 2 382.553 -1.212 20 0 GAADLP C[NH+](C)CCN1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000650045534 1075846597 /nfs/dbraw/zinc/84/65/97/1075846597.db2.gz DHUYYTODBVQSDR-UHFFFAOYSA-N 2 2 393.492 -0.547 20 0 GAADLP CNc1nc(N2CC([NH+]3CC[C@@H](O)C3)C2)nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)n1 ZINC000651450835 1075858639 /nfs/dbraw/zinc/85/86/39/1075858639.db2.gz HQAJWADBBKLILL-HUUCEWRRSA-N 2 2 390.492 -2.154 20 0 GAADLP CNc1nc(N2CC([NH+]3CC[C@@H](O)C3)C2)nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC000651450835 1075858629 /nfs/dbraw/zinc/85/86/29/1075858629.db2.gz HQAJWADBBKLILL-HUUCEWRRSA-N 2 2 390.492 -2.154 20 0 GAADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000652388161 1075864400 /nfs/dbraw/zinc/86/44/00/1075864400.db2.gz ZFJNODMRDYPALS-UHFFFAOYSA-N 2 2 388.472 -1.037 20 0 GAADLP C[NH+](C)CCN1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1=O ZINC000652391714 1075864338 /nfs/dbraw/zinc/86/43/38/1075864338.db2.gz IFEHQMIEKKZWBI-INIZCTEOSA-N 2 2 395.504 -1.458 20 0 GAADLP CCOCC[NH+]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652399718 1073920336 /nfs/dbraw/zinc/92/03/36/1073920336.db2.gz BAYGOVNKJDKTIW-UHFFFAOYSA-N 2 2 383.493 -1.601 20 0 GAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H](C)O1 ZINC000652453327 1075865366 /nfs/dbraw/zinc/86/53/66/1075865366.db2.gz BHPMPFLXTOXRJL-IYBDPMFKSA-N 2 2 397.520 -1.214 20 0 GAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C[C@H](C)O1 ZINC000652453327 1075865363 /nfs/dbraw/zinc/86/53/63/1075865363.db2.gz BHPMPFLXTOXRJL-IYBDPMFKSA-N 2 2 397.520 -1.214 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652457179 1073922429 /nfs/dbraw/zinc/92/24/29/1073922429.db2.gz PDQJETGVFNVNNZ-HNNXBMFYSA-N 2 2 399.492 -2.630 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652457180 1073922489 /nfs/dbraw/zinc/92/24/89/1073922489.db2.gz PDQJETGVFNVNNZ-OAHLLOKOSA-N 2 2 399.492 -2.630 20 0 GAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000652457228 1073922573 /nfs/dbraw/zinc/92/25/73/1073922573.db2.gz URZYMEJLYRLKCT-UHFFFAOYSA-N 2 2 397.520 -1.212 20 0 GAADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652473636 1073923793 /nfs/dbraw/zinc/92/37/93/1073923793.db2.gz FKKZARYOOKVEDZ-UHFFFAOYSA-N 2 2 397.520 -1.212 20 0 GAADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000652473636 1073923786 /nfs/dbraw/zinc/92/37/86/1073923786.db2.gz FKKZARYOOKVEDZ-UHFFFAOYSA-N 2 2 397.520 -1.212 20 0 GAADLP CCO[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1C[NH3+] ZINC000652636510 1073930313 /nfs/dbraw/zinc/93/03/13/1073930313.db2.gz MYSFOPCJJGRCOW-GDBMZVCRSA-N 2 2 394.476 -1.024 20 0 GAADLP CCO[C@@H]1CN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C[NH3+] ZINC000652672806 1073943757 /nfs/dbraw/zinc/94/37/57/1073943757.db2.gz WOZGSNIYDVEPIH-HZPDHXFCSA-N 2 2 398.504 -1.194 20 0 GAADLP C[N@H+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652695363 1075869251 /nfs/dbraw/zinc/86/92/51/1075869251.db2.gz SHIDUKHPSFJXGK-KRWDZBQOSA-N 2 2 387.484 -1.080 20 0 GAADLP C[N@@H+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@@H](Cc2ccccc2)C1 ZINC000652695363 1075869248 /nfs/dbraw/zinc/86/92/48/1075869248.db2.gz SHIDUKHPSFJXGK-KRWDZBQOSA-N 2 2 387.484 -1.080 20 0 GAADLP C[N@H+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652695364 1075869124 /nfs/dbraw/zinc/86/91/24/1075869124.db2.gz SHIDUKHPSFJXGK-QGZVFWFLSA-N 2 2 387.484 -1.080 20 0 GAADLP C[N@@H+]1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)[C@H](Cc2ccccc2)C1 ZINC000652695364 1075869122 /nfs/dbraw/zinc/86/91/22/1075869122.db2.gz SHIDUKHPSFJXGK-QGZVFWFLSA-N 2 2 387.484 -1.080 20 0 GAADLP CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](C(COC)COC)CC2)C[C@H]1C[NH3+] ZINC000652731638 1075870128 /nfs/dbraw/zinc/87/01/28/1075870128.db2.gz PZUMWQCNZRSWFZ-GDBMZVCRSA-N 2 2 386.493 -1.386 20 0 GAADLP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000652735839 1074108381 /nfs/dbraw/zinc/10/83/81/1074108381.db2.gz VJSTZFOFJGUNPH-INIZCTEOSA-N 2 2 395.504 -1.601 20 0 GAADLP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1=O ZINC000652735840 1075870471 /nfs/dbraw/zinc/87/04/71/1075870471.db2.gz VJSTZFOFJGUNPH-MRXNPFEDSA-N 2 2 395.504 -1.601 20 0 GAADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889360 1074232514 /nfs/dbraw/zinc/23/25/14/1074232514.db2.gz PYUWCLDBHIBAGZ-IAGOWNOFSA-N 2 2 380.489 -1.023 20 0 GAADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889360 1074232510 /nfs/dbraw/zinc/23/25/10/1074232510.db2.gz PYUWCLDBHIBAGZ-IAGOWNOFSA-N 2 2 380.489 -1.023 20 0 GAADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889361 1074232479 /nfs/dbraw/zinc/23/24/79/1074232479.db2.gz PYUWCLDBHIBAGZ-SJORKVTESA-N 2 2 380.489 -1.023 20 0 GAADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889361 1074232473 /nfs/dbraw/zinc/23/24/73/1074232473.db2.gz PYUWCLDBHIBAGZ-SJORKVTESA-N 2 2 380.489 -1.023 20 0 GAADLP O=C(N1CC([NH+]2CC[C@@H](O)C2)C1)C1(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CCC1 ZINC000652890857 1075871102 /nfs/dbraw/zinc/87/11/02/1075871102.db2.gz REXYQOPGEFVJRE-IAGOWNOFSA-N 2 2 392.500 -1.289 20 0 GAADLP O=C(N1CC([NH+]2CC[C@@H](O)C2)C1)C1(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CCC1 ZINC000652890857 1075871096 /nfs/dbraw/zinc/87/10/96/1075871096.db2.gz REXYQOPGEFVJRE-IAGOWNOFSA-N 2 2 392.500 -1.289 20 0 GAADLP C[C@@H](C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@@H](C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652892864 1075871041 /nfs/dbraw/zinc/87/10/41/1075871041.db2.gz NEOBPFZEISVIOM-DTTOXWODSA-N 2 2 394.516 -1.187 20 0 GAADLP C[C@@H](C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@@H](C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652892864 1075871034 /nfs/dbraw/zinc/87/10/34/1075871034.db2.gz NEOBPFZEISVIOM-DTTOXWODSA-N 2 2 394.516 -1.187 20 0 GAADLP C[C@H](C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@H](C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652892865 1074233315 /nfs/dbraw/zinc/23/33/15/1074233315.db2.gz NEOBPFZEISVIOM-LBTBCDHLSA-N 2 2 394.516 -1.187 20 0 GAADLP C[C@H](C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@H](C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652892865 1074233310 /nfs/dbraw/zinc/23/33/10/1074233310.db2.gz NEOBPFZEISVIOM-LBTBCDHLSA-N 2 2 394.516 -1.187 20 0 GAADLP C[C@@H](C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@H](C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652892866 1075870978 /nfs/dbraw/zinc/87/09/78/1075870978.db2.gz NEOBPFZEISVIOM-LTCOOKNTSA-N 2 2 394.516 -1.187 20 0 GAADLP C[C@@H](C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)[C@H](C)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652892866 1075870975 /nfs/dbraw/zinc/87/09/75/1075870975.db2.gz NEOBPFZEISVIOM-LTCOOKNTSA-N 2 2 394.516 -1.187 20 0 GAADLP C[C@@H](C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[C@H](C)C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652892866 1075870971 /nfs/dbraw/zinc/87/09/71/1075870971.db2.gz NEOBPFZEISVIOM-LTCOOKNTSA-N 2 2 394.516 -1.187 20 0 GAADLP C[C@@H](C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[C@H](C)C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000652892866 1075870967 /nfs/dbraw/zinc/87/09/67/1075870967.db2.gz NEOBPFZEISVIOM-LTCOOKNTSA-N 2 2 394.516 -1.187 20 0 GAADLP C[NH+](C)CC[C@H](N)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000653072110 530107490 /nfs/dbraw/zinc/10/74/90/530107490.db2.gz DQKRLCKCLXQNBR-AWEZNQCLSA-N 2 2 376.527 -2.098 20 0 GAADLP C[NH+](C)CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000653072112 530107232 /nfs/dbraw/zinc/10/72/32/530107232.db2.gz DQKRLCKCLXQNBR-CQSZACIVSA-N 2 2 376.527 -2.098 20 0 GAADLP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000653150048 1075874352 /nfs/dbraw/zinc/87/43/52/1075874352.db2.gz PXYZNZYEULHTDE-JXFKEZNVSA-N 3 2 393.532 -1.081 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+]1CCOCC1 ZINC000653361195 1075879475 /nfs/dbraw/zinc/87/94/75/1075879475.db2.gz IJHLBTYPZSCVIC-INIZCTEOSA-N 2 2 397.520 -1.308 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[NH+]1CCOCC1 ZINC000653361196 1075879458 /nfs/dbraw/zinc/87/94/58/1075879458.db2.gz IJHLBTYPZSCVIC-MRXNPFEDSA-N 2 2 397.520 -1.308 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656042963 1073510770 /nfs/dbraw/zinc/51/07/70/1073510770.db2.gz XOQPXHYOKYGBPF-CAOSSQGBSA-N 2 2 397.520 -1.086 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656042963 1073510763 /nfs/dbraw/zinc/51/07/63/1073510763.db2.gz XOQPXHYOKYGBPF-CAOSSQGBSA-N 2 2 397.520 -1.086 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656042968 1073510934 /nfs/dbraw/zinc/51/09/34/1073510934.db2.gz XOQPXHYOKYGBPF-JONQDZQNSA-N 2 2 397.520 -1.086 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656042968 1073510925 /nfs/dbraw/zinc/51/09/25/1073510925.db2.gz XOQPXHYOKYGBPF-JONQDZQNSA-N 2 2 397.520 -1.086 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656042970 1073510672 /nfs/dbraw/zinc/51/06/72/1073510672.db2.gz XOQPXHYOKYGBPF-LVQVYYBASA-N 2 2 397.520 -1.086 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656042970 1073510659 /nfs/dbraw/zinc/51/06/59/1073510659.db2.gz XOQPXHYOKYGBPF-LVQVYYBASA-N 2 2 397.520 -1.086 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656042971 1073510706 /nfs/dbraw/zinc/51/07/06/1073510706.db2.gz XOQPXHYOKYGBPF-WCVJEAGWSA-N 2 2 397.520 -1.086 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656042971 1073510696 /nfs/dbraw/zinc/51/06/96/1073510696.db2.gz XOQPXHYOKYGBPF-WCVJEAGWSA-N 2 2 397.520 -1.086 20 0 GAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656079502 1073517763 /nfs/dbraw/zinc/51/77/63/1073517763.db2.gz VKNQHAAERYRRRV-LSDHHAIUSA-N 2 2 381.477 -2.114 20 0 GAADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656079502 1073517750 /nfs/dbraw/zinc/51/77/50/1073517750.db2.gz VKNQHAAERYRRRV-LSDHHAIUSA-N 2 2 381.477 -2.114 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656087040 1073519998 /nfs/dbraw/zinc/51/99/98/1073519998.db2.gz PITJNXGZIJPPIZ-HRCADAONSA-N 2 2 397.520 -1.167 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656087040 1073519990 /nfs/dbraw/zinc/51/99/90/1073519990.db2.gz PITJNXGZIJPPIZ-HRCADAONSA-N 2 2 397.520 -1.167 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656087041 1074790565 /nfs/dbraw/zinc/79/05/65/1074790565.db2.gz PITJNXGZIJPPIZ-OAGGEKHMSA-N 2 2 397.520 -1.167 20 0 GAADLP C[C@H](CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656087041 1074790561 /nfs/dbraw/zinc/79/05/61/1074790561.db2.gz PITJNXGZIJPPIZ-OAGGEKHMSA-N 2 2 397.520 -1.167 20 0 GAADLP O=C(C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104303 1074790912 /nfs/dbraw/zinc/79/09/12/1074790912.db2.gz NDMZRGDBNVYXPR-QLFBSQMISA-N 2 2 379.461 -2.313 20 0 GAADLP O=C(C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104303 1074790902 /nfs/dbraw/zinc/79/09/02/1074790902.db2.gz NDMZRGDBNVYXPR-QLFBSQMISA-N 2 2 379.461 -2.313 20 0 GAADLP O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104304 1073520570 /nfs/dbraw/zinc/52/05/70/1073520570.db2.gz NDMZRGDBNVYXPR-SOUVJXGZSA-N 2 2 379.461 -2.313 20 0 GAADLP O=C(C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656104304 1073520559 /nfs/dbraw/zinc/52/05/59/1073520559.db2.gz NDMZRGDBNVYXPR-SOUVJXGZSA-N 2 2 379.461 -2.313 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000656288480 1074794278 /nfs/dbraw/zinc/79/42/78/1074794278.db2.gz CGLLGIVJCGIOAZ-BBWFWOEESA-N 2 2 381.521 -1.348 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000656288480 1074794269 /nfs/dbraw/zinc/79/42/69/1074794269.db2.gz CGLLGIVJCGIOAZ-BBWFWOEESA-N 2 2 381.521 -1.348 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000656288480 1074794268 /nfs/dbraw/zinc/79/42/68/1074794268.db2.gz CGLLGIVJCGIOAZ-BBWFWOEESA-N 2 2 381.521 -1.348 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000656288480 1074794259 /nfs/dbraw/zinc/79/42/59/1074794259.db2.gz CGLLGIVJCGIOAZ-BBWFWOEESA-N 2 2 381.521 -1.348 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000656288481 1074794247 /nfs/dbraw/zinc/79/42/47/1074794247.db2.gz CGLLGIVJCGIOAZ-GVDBMIGSSA-N 2 2 381.521 -1.348 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000656288481 1074794240 /nfs/dbraw/zinc/79/42/40/1074794240.db2.gz CGLLGIVJCGIOAZ-GVDBMIGSSA-N 2 2 381.521 -1.348 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000656288481 1074794232 /nfs/dbraw/zinc/79/42/32/1074794232.db2.gz CGLLGIVJCGIOAZ-GVDBMIGSSA-N 2 2 381.521 -1.348 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)N1CC[NH+](C)CC1 ZINC000656288481 1074794221 /nfs/dbraw/zinc/79/42/21/1074794221.db2.gz CGLLGIVJCGIOAZ-GVDBMIGSSA-N 2 2 381.521 -1.348 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656297201 1073541549 /nfs/dbraw/zinc/54/15/49/1073541549.db2.gz WIDUAMAFTXDOBG-JKSUJKDBSA-N 2 2 395.504 -1.629 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656297201 1073541540 /nfs/dbraw/zinc/54/15/40/1073541540.db2.gz WIDUAMAFTXDOBG-JKSUJKDBSA-N 2 2 395.504 -1.629 20 0 GAADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656301119 1073541992 /nfs/dbraw/zinc/54/19/92/1073541992.db2.gz YGHOIOAPTRJFTE-IXDOHACOSA-N 2 2 381.521 -1.346 20 0 GAADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656301119 1073541983 /nfs/dbraw/zinc/54/19/83/1073541983.db2.gz YGHOIOAPTRJFTE-IXDOHACOSA-N 2 2 381.521 -1.346 20 0 GAADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656301122 1073542120 /nfs/dbraw/zinc/54/21/20/1073542120.db2.gz YGHOIOAPTRJFTE-YESZJQIVSA-N 2 2 381.521 -1.346 20 0 GAADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656301122 1073542115 /nfs/dbraw/zinc/54/21/15/1073542115.db2.gz YGHOIOAPTRJFTE-YESZJQIVSA-N 2 2 381.521 -1.346 20 0 GAADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000656337817 1073546467 /nfs/dbraw/zinc/54/64/67/1073546467.db2.gz PNWGBSMXQQDWGX-JKSUJKDBSA-N 2 2 396.488 -1.739 20 0 GAADLP O=C(NCC1([NH+]2CCOCC2)CCOCC1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656337817 1073546455 /nfs/dbraw/zinc/54/64/55/1073546455.db2.gz PNWGBSMXQQDWGX-JKSUJKDBSA-N 2 2 396.488 -1.739 20 0 GAADLP C[C@H](O)C[NH+]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH+]c[nH]2)CC1 ZINC000656376892 530172038 /nfs/dbraw/zinc/17/20/38/530172038.db2.gz KATJKYGYJONGOO-LBPRGKRZSA-N 2 2 395.507 -1.130 20 0 GAADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000657070984 530172476 /nfs/dbraw/zinc/17/24/76/530172476.db2.gz DKOQVVZGKUEUPO-LBPRGKRZSA-N 2 2 375.495 -1.366 20 0 GAADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000657070984 530172473 /nfs/dbraw/zinc/17/24/73/530172473.db2.gz DKOQVVZGKUEUPO-LBPRGKRZSA-N 2 2 375.495 -1.366 20 0 GAADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000657071316 530172582 /nfs/dbraw/zinc/17/25/82/530172582.db2.gz JTQOVRNCIIUOQU-AWEZNQCLSA-N 2 2 399.583 -1.330 20 0 GAADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000657071316 530172579 /nfs/dbraw/zinc/17/25/79/530172579.db2.gz JTQOVRNCIIUOQU-AWEZNQCLSA-N 2 2 399.583 -1.330 20 0 GAADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000657090344 530172759 /nfs/dbraw/zinc/17/27/59/530172759.db2.gz CCFGWEYWICUDNC-UHFFFAOYSA-N 2 2 385.556 -1.719 20 0 GAADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000657090344 530172757 /nfs/dbraw/zinc/17/27/57/530172757.db2.gz CCFGWEYWICUDNC-UHFFFAOYSA-N 2 2 385.556 -1.719 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657874484 1073648292 /nfs/dbraw/zinc/64/82/92/1073648292.db2.gz WPRZAVKWDWAMLF-KRWDZBQOSA-N 2 2 391.472 -1.118 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657874485 1073648275 /nfs/dbraw/zinc/64/82/75/1073648275.db2.gz WPRZAVKWDWAMLF-QGZVFWFLSA-N 2 2 391.472 -1.118 20 0 GAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000659093784 1073782870 /nfs/dbraw/zinc/78/28/70/1073782870.db2.gz COEQVUGRHZLBDU-UHFFFAOYSA-N 3 2 392.508 -1.176 20 0 GAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000659093784 1073782861 /nfs/dbraw/zinc/78/28/61/1073782861.db2.gz COEQVUGRHZLBDU-UHFFFAOYSA-N 3 2 392.508 -1.176 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000659534718 1073799460 /nfs/dbraw/zinc/79/94/60/1073799460.db2.gz GHOVLZACYPKRNE-DLBZAZTESA-N 2 2 381.521 -1.250 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000659534718 1073799453 /nfs/dbraw/zinc/79/94/53/1073799453.db2.gz GHOVLZACYPKRNE-DLBZAZTESA-N 2 2 381.521 -1.250 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000659534719 1073799209 /nfs/dbraw/zinc/79/92/09/1073799209.db2.gz GHOVLZACYPKRNE-IRXDYDNUSA-N 2 2 381.521 -1.250 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000659534719 1073799200 /nfs/dbraw/zinc/79/92/00/1073799200.db2.gz GHOVLZACYPKRNE-IRXDYDNUSA-N 2 2 381.521 -1.250 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCOCC1 ZINC000659683875 1073804258 /nfs/dbraw/zinc/80/42/58/1073804258.db2.gz AISVMFBIGGYMPH-CYBMUJFWSA-N 2 2 380.449 -1.270 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCOCC1 ZINC000659683876 1073803885 /nfs/dbraw/zinc/80/38/85/1073803885.db2.gz AISVMFBIGGYMPH-ZDUSSCGKSA-N 2 2 380.449 -1.270 20 0 GAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000659695895 1073804643 /nfs/dbraw/zinc/80/46/43/1073804643.db2.gz GSTWXTXCWGZFCM-AWEZNQCLSA-N 2 2 376.461 -1.039 20 0 GAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000659695897 1073804834 /nfs/dbraw/zinc/80/48/34/1073804834.db2.gz GSTWXTXCWGZFCM-CQSZACIVSA-N 2 2 376.461 -1.039 20 0 GAADLP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659727968 1073805914 /nfs/dbraw/zinc/80/59/14/1073805914.db2.gz SUSLAWZQUOOXKF-SDDRHHMPSA-N 2 2 380.449 -1.129 20 0 GAADLP C[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659727968 1073805906 /nfs/dbraw/zinc/80/59/06/1073805906.db2.gz SUSLAWZQUOOXKF-SDDRHHMPSA-N 2 2 380.449 -1.129 20 0 GAADLP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659727970 1073806078 /nfs/dbraw/zinc/80/60/78/1073806078.db2.gz SUSLAWZQUOOXKF-UTUOFQBUSA-N 2 2 380.449 -1.129 20 0 GAADLP C[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659727970 1073806068 /nfs/dbraw/zinc/80/60/68/1073806068.db2.gz SUSLAWZQUOOXKF-UTUOFQBUSA-N 2 2 380.449 -1.129 20 0 GAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659739630 1073806474 /nfs/dbraw/zinc/80/64/74/1073806474.db2.gz BFBVPAVSJGOWDK-UHFFFAOYSA-N 2 2 384.444 -1.120 20 0 GAADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000659747737 1073808708 /nfs/dbraw/zinc/80/87/08/1073808708.db2.gz INAJCPXKZJYBPF-CYBMUJFWSA-N 2 2 378.433 -1.420 20 0 GAADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000659747740 1073808634 /nfs/dbraw/zinc/80/86/34/1073808634.db2.gz INAJCPXKZJYBPF-ZDUSSCGKSA-N 2 2 378.433 -1.420 20 0 GAADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659748293 1073808011 /nfs/dbraw/zinc/80/80/11/1073808011.db2.gz SRCWNMHBINPYEE-TXEJJXNPSA-N 2 2 380.449 -1.175 20 0 GAADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[C@H](C)O1 ZINC000659748293 1073807996 /nfs/dbraw/zinc/80/79/96/1073807996.db2.gz SRCWNMHBINPYEE-TXEJJXNPSA-N 2 2 380.449 -1.175 20 0 GAADLP CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659748653 1073808151 /nfs/dbraw/zinc/80/81/51/1073808151.db2.gz ZQDJIKBPRPTPEI-UHFFFAOYSA-N 2 2 380.449 -1.174 20 0 GAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000659749877 1073808850 /nfs/dbraw/zinc/80/88/50/1073808850.db2.gz CFGSYQUOTNWYSV-CYBMUJFWSA-N 2 2 390.510 -2.653 20 0 GAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000659749878 1073808748 /nfs/dbraw/zinc/80/87/48/1073808748.db2.gz CFGSYQUOTNWYSV-ZDUSSCGKSA-N 2 2 390.510 -2.653 20 0 GAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000659750783 1073808556 /nfs/dbraw/zinc/80/85/56/1073808556.db2.gz PVWFIDWUXIZYBO-AWEZNQCLSA-N 2 2 391.476 -1.314 20 0 GAADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000659750783 1073808550 /nfs/dbraw/zinc/80/85/50/1073808550.db2.gz PVWFIDWUXIZYBO-AWEZNQCLSA-N 2 2 391.476 -1.314 20 0 GAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000659750785 1073808979 /nfs/dbraw/zinc/80/89/79/1073808979.db2.gz PVWFIDWUXIZYBO-CQSZACIVSA-N 2 2 391.476 -1.314 20 0 GAADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000659750785 1073808966 /nfs/dbraw/zinc/80/89/66/1073808966.db2.gz PVWFIDWUXIZYBO-CQSZACIVSA-N 2 2 391.476 -1.314 20 0 GAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662287807 1073931688 /nfs/dbraw/zinc/93/16/88/1073931688.db2.gz JYRUBCAPOYMMPN-CYBMUJFWSA-N 2 2 392.464 -2.374 20 0 GAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC1 ZINC000662287808 1073931658 /nfs/dbraw/zinc/93/16/58/1073931658.db2.gz JYRUBCAPOYMMPN-ZDUSSCGKSA-N 2 2 392.464 -2.374 20 0 GAADLP COc1ccc(C[NH+]2CCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC2)cc1 ZINC000662288619 1073931140 /nfs/dbraw/zinc/93/11/40/1073931140.db2.gz RQRXPFYTOCUARE-KRWDZBQOSA-N 2 2 380.489 -1.047 20 0 GAADLP COc1ccc(C[NH+]2CCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC2)cc1 ZINC000662288620 1073931126 /nfs/dbraw/zinc/93/11/26/1073931126.db2.gz RQRXPFYTOCUARE-QGZVFWFLSA-N 2 2 380.489 -1.047 20 0 GAADLP [NH3+]CCN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C[C@@H](O)CO ZINC000662288631 1073931108 /nfs/dbraw/zinc/93/11/08/1073931108.db2.gz RZCZNDBFEWBRKM-GOSISDBHSA-N 2 2 392.500 -1.120 20 0 GAADLP [NH3+]CCN(CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1)C[C@H](O)CO ZINC000662288632 1073931156 /nfs/dbraw/zinc/93/11/56/1073931156.db2.gz RZCZNDBFEWBRKM-SFHVURJKSA-N 2 2 392.500 -1.120 20 0 GAADLP CC(C)OC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000662383729 530178087 /nfs/dbraw/zinc/17/80/87/530178087.db2.gz MUHBXGJUHWPDLE-AWEZNQCLSA-N 2 2 377.511 -1.625 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)CC1 ZINC000662499961 530178144 /nfs/dbraw/zinc/17/81/44/530178144.db2.gz CEXOPWVDPTYCGX-KBPBESRZSA-N 2 2 375.495 -2.013 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)CC1 ZINC000662499962 530178407 /nfs/dbraw/zinc/17/84/07/530178407.db2.gz CEXOPWVDPTYCGX-KGLIPLIRSA-N 2 2 375.495 -2.013 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)CC1 ZINC000662499963 530178269 /nfs/dbraw/zinc/17/82/69/530178269.db2.gz CEXOPWVDPTYCGX-UONOGXRCSA-N 2 2 375.495 -2.013 20 0 GAADLP C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)CC1 ZINC000662499964 530178363 /nfs/dbraw/zinc/17/83/63/530178363.db2.gz CEXOPWVDPTYCGX-ZIAGYGMSSA-N 2 2 375.495 -2.013 20 0 GAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662922317 1073911996 /nfs/dbraw/zinc/91/19/96/1073911996.db2.gz RKBSCCMSSDGLMA-UHFFFAOYSA-N 2 2 384.444 -1.038 20 0 GAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000662923124 1073912082 /nfs/dbraw/zinc/91/20/82/1073912082.db2.gz XIVPBBQMPXBFST-CHWSQXEVSA-N 2 2 390.423 -1.090 20 0 GAADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)CC1 ZINC000662926812 1073912937 /nfs/dbraw/zinc/91/29/37/1073912937.db2.gz SLCMTILYHFZGBO-HUUCEWRRSA-N 2 2 383.468 -1.103 20 0 GAADLP CN(CCC[NH3+])C(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000662936301 1073912701 /nfs/dbraw/zinc/91/27/01/1073912701.db2.gz FHILVUHBRIMAAJ-UHFFFAOYSA-N 2 2 391.476 -1.231 20 0 GAADLP CN(CCC[NH3+])C(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000662936301 1073912695 /nfs/dbraw/zinc/91/26/95/1073912695.db2.gz FHILVUHBRIMAAJ-UHFFFAOYSA-N 2 2 391.476 -1.231 20 0 GAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663014918 1073917626 /nfs/dbraw/zinc/91/76/26/1073917626.db2.gz PXNUUFPDAVGMND-AWEZNQCLSA-N 2 2 375.477 -1.043 20 0 GAADLP O=C(CN1CC[NH2+]CC1=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663014919 1073917659 /nfs/dbraw/zinc/91/76/59/1073917659.db2.gz PXNUUFPDAVGMND-CQSZACIVSA-N 2 2 375.477 -1.043 20 0 GAADLP CN(c1cc(=O)n(C)c(=O)n1C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000663582061 1073942514 /nfs/dbraw/zinc/94/25/14/1073942514.db2.gz AAMBQJXCQYQJGX-UHFFFAOYSA-N 2 2 392.504 -1.241 20 0 GAADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000663887000 1073982169 /nfs/dbraw/zinc/98/21/69/1073982169.db2.gz BCKLFGMIKAHZEL-UHFFFAOYSA-N 2 2 392.570 -1.254 20 0 GAADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000663887000 1073982165 /nfs/dbraw/zinc/98/21/65/1073982165.db2.gz BCKLFGMIKAHZEL-UHFFFAOYSA-N 2 2 392.570 -1.254 20 0 GAADLP CNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000664130645 1073992232 /nfs/dbraw/zinc/99/22/32/1073992232.db2.gz PUDGSTQJYSBILB-AWEZNQCLSA-N 2 2 388.538 -1.054 20 0 GAADLP CNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000664130645 1073992227 /nfs/dbraw/zinc/99/22/27/1073992227.db2.gz PUDGSTQJYSBILB-AWEZNQCLSA-N 2 2 388.538 -1.054 20 0 GAADLP CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000664130646 1073992022 /nfs/dbraw/zinc/99/20/22/1073992022.db2.gz PUDGSTQJYSBILB-CQSZACIVSA-N 2 2 388.538 -1.054 20 0 GAADLP CNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000664130646 1073992016 /nfs/dbraw/zinc/99/20/16/1073992016.db2.gz PUDGSTQJYSBILB-CQSZACIVSA-N 2 2 388.538 -1.054 20 0 GAADLP CNS(=O)(=O)N1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000664537864 530179743 /nfs/dbraw/zinc/17/97/43/530179743.db2.gz RSAZURJLMXGEBY-UHFFFAOYSA-N 2 2 376.527 -1.196 20 0 GAADLP CN(C)S(=O)(=O)NCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665014223 530180411 /nfs/dbraw/zinc/18/04/11/530180411.db2.gz HABQOZFOCRNORV-CYBMUJFWSA-N 2 2 376.527 -1.150 20 0 GAADLP CN(C)S(=O)(=O)NCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665014223 530180410 /nfs/dbraw/zinc/18/04/10/530180410.db2.gz HABQOZFOCRNORV-CYBMUJFWSA-N 2 2 376.527 -1.150 20 0 GAADLP CN(C)S(=O)(=O)NCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665014224 530180306 /nfs/dbraw/zinc/18/03/06/530180306.db2.gz HABQOZFOCRNORV-ZDUSSCGKSA-N 2 2 376.527 -1.150 20 0 GAADLP CN(C)S(=O)(=O)NCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665014224 530180304 /nfs/dbraw/zinc/18/03/04/530180304.db2.gz HABQOZFOCRNORV-ZDUSSCGKSA-N 2 2 376.527 -1.150 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOCCS(N)(=O)=O ZINC000665103268 530180583 /nfs/dbraw/zinc/18/05/83/530180583.db2.gz OYSJKLMJALKQER-UHFFFAOYSA-N 2 2 379.527 -1.041 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCOCCS(N)(=O)=O ZINC000665103268 530180581 /nfs/dbraw/zinc/18/05/81/530180581.db2.gz OYSJKLMJALKQER-UHFFFAOYSA-N 2 2 379.527 -1.041 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2[C@H](C)[C@H]2C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000668360003 1074447273 /nfs/dbraw/zinc/44/72/73/1074447273.db2.gz MXNZPPBTWXLIOM-DISONHOPSA-N 2 2 396.532 -1.082 20 0 GAADLP CN(C(=O)C1(n2cnnn2)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668370701 1074448505 /nfs/dbraw/zinc/44/85/05/1074448505.db2.gz AVROMHDMZCHQDQ-UHFFFAOYSA-N 2 2 390.492 -1.141 20 0 GAADLP CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668371449 1074448637 /nfs/dbraw/zinc/44/86/37/1074448637.db2.gz RHYLNGYVXGXDGJ-AWEZNQCLSA-N 2 2 394.476 -1.719 20 0 GAADLP CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668371754 1074448488 /nfs/dbraw/zinc/44/84/88/1074448488.db2.gz WXDKFOSUUXGERS-HNNXBMFYSA-N 2 2 380.493 -1.293 20 0 GAADLP CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668371755 1074448653 /nfs/dbraw/zinc/44/86/53/1074448653.db2.gz WXDKFOSUUXGERS-OAHLLOKOSA-N 2 2 380.493 -1.293 20 0 GAADLP C[C@H]1[C@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000668581763 1074462797 /nfs/dbraw/zinc/46/27/97/1074462797.db2.gz KWPWHURXISQKIE-ADHGMGHFSA-N 2 2 394.564 -1.408 20 0 GAADLP C[C@H]1[C@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000668581763 1074462793 /nfs/dbraw/zinc/46/27/93/1074462793.db2.gz KWPWHURXISQKIE-ADHGMGHFSA-N 2 2 394.564 -1.408 20 0 GAADLP C[C@H]1[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000668581763 1074462790 /nfs/dbraw/zinc/46/27/90/1074462790.db2.gz KWPWHURXISQKIE-ADHGMGHFSA-N 2 2 394.564 -1.408 20 0 GAADLP C[C@H]1[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2C)[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000668581763 1074462779 /nfs/dbraw/zinc/46/27/79/1074462779.db2.gz KWPWHURXISQKIE-ADHGMGHFSA-N 2 2 394.564 -1.408 20 0 GAADLP CC1[C@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000668581764 1074462880 /nfs/dbraw/zinc/46/28/80/1074462880.db2.gz KWPWHURXISQKIE-BDXSIMOUSA-N 2 2 394.564 -1.408 20 0 GAADLP CC1[C@H](C(=O)NC[C@@H]2C[NH+](C)CCN2C)[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000668581764 1074462878 /nfs/dbraw/zinc/46/28/78/1074462878.db2.gz KWPWHURXISQKIE-BDXSIMOUSA-N 2 2 394.564 -1.408 20 0 GAADLP CC1[C@H](C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000668581765 1074462867 /nfs/dbraw/zinc/46/28/67/1074462867.db2.gz KWPWHURXISQKIE-XSLAGTTESA-N 2 2 394.564 -1.408 20 0 GAADLP CC1[C@H](C(=O)NC[C@H]2C[NH+](C)CCN2C)[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000668581765 1074462864 /nfs/dbraw/zinc/46/28/64/1074462864.db2.gz KWPWHURXISQKIE-XSLAGTTESA-N 2 2 394.564 -1.408 20 0 GAADLP C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538271 530102087 /nfs/dbraw/zinc/10/20/87/530102087.db2.gz HRTHFBFLPVXRNQ-GXTWGEPZSA-N 2 2 375.495 -1.666 20 0 GAADLP C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538271 530102086 /nfs/dbraw/zinc/10/20/86/530102086.db2.gz HRTHFBFLPVXRNQ-GXTWGEPZSA-N 2 2 375.495 -1.666 20 0 GAADLP C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538272 530101825 /nfs/dbraw/zinc/10/18/25/530101825.db2.gz HRTHFBFLPVXRNQ-JSGCOSHPSA-N 2 2 375.495 -1.666 20 0 GAADLP C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538272 530101823 /nfs/dbraw/zinc/10/18/23/530101823.db2.gz HRTHFBFLPVXRNQ-JSGCOSHPSA-N 2 2 375.495 -1.666 20 0 GAADLP C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538273 530102053 /nfs/dbraw/zinc/10/20/53/530102053.db2.gz HRTHFBFLPVXRNQ-OCCSQVGLSA-N 2 2 375.495 -1.666 20 0 GAADLP C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538273 530102052 /nfs/dbraw/zinc/10/20/52/530102052.db2.gz HRTHFBFLPVXRNQ-OCCSQVGLSA-N 2 2 375.495 -1.666 20 0 GAADLP C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538274 530102024 /nfs/dbraw/zinc/10/20/24/530102024.db2.gz HRTHFBFLPVXRNQ-TZMCWYRMSA-N 2 2 375.495 -1.666 20 0 GAADLP C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538274 530102023 /nfs/dbraw/zinc/10/20/23/530102023.db2.gz HRTHFBFLPVXRNQ-TZMCWYRMSA-N 2 2 375.495 -1.666 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000671062613 1074700099 /nfs/dbraw/zinc/70/00/99/1074700099.db2.gz WKGWZECXYPYGQR-GDBMZVCRSA-N 2 2 397.520 -1.072 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000671062613 1074700089 /nfs/dbraw/zinc/70/00/89/1074700089.db2.gz WKGWZECXYPYGQR-GDBMZVCRSA-N 2 2 397.520 -1.072 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000671062615 1074700608 /nfs/dbraw/zinc/70/06/08/1074700608.db2.gz WKGWZECXYPYGQR-GOEBONIOSA-N 2 2 397.520 -1.072 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000671062615 1074700602 /nfs/dbraw/zinc/70/06/02/1074700602.db2.gz WKGWZECXYPYGQR-GOEBONIOSA-N 2 2 397.520 -1.072 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000671062617 1074700582 /nfs/dbraw/zinc/70/05/82/1074700582.db2.gz WKGWZECXYPYGQR-HOCLYGCPSA-N 2 2 397.520 -1.072 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000671062617 1074700575 /nfs/dbraw/zinc/70/05/75/1074700575.db2.gz WKGWZECXYPYGQR-HOCLYGCPSA-N 2 2 397.520 -1.072 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000671062619 1074700432 /nfs/dbraw/zinc/70/04/32/1074700432.db2.gz WKGWZECXYPYGQR-ZBFHGGJFSA-N 2 2 397.520 -1.072 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000671062619 1074700422 /nfs/dbraw/zinc/70/04/22/1074700422.db2.gz WKGWZECXYPYGQR-ZBFHGGJFSA-N 2 2 397.520 -1.072 20 0 GAADLP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000672004221 1074786375 /nfs/dbraw/zinc/78/63/75/1074786375.db2.gz YRYDUQATCMMZKM-UHFFFAOYSA-N 2 2 397.520 -1.307 20 0 GAADLP COCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000672004221 1074786371 /nfs/dbraw/zinc/78/63/71/1074786371.db2.gz YRYDUQATCMMZKM-UHFFFAOYSA-N 2 2 397.520 -1.307 20 0 GAADLP C[C@H](NC(=O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000672009634 1074786269 /nfs/dbraw/zinc/78/62/69/1074786269.db2.gz BOFDYHHDSUODAA-DZGCQCFKSA-N 2 2 383.493 -1.523 20 0 GAADLP C[C@H](NC(=O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000672009634 1074786262 /nfs/dbraw/zinc/78/62/62/1074786262.db2.gz BOFDYHHDSUODAA-DZGCQCFKSA-N 2 2 383.493 -1.523 20 0 GAADLP C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000672009635 1074786404 /nfs/dbraw/zinc/78/64/04/1074786404.db2.gz BOFDYHHDSUODAA-HIFRSBDPSA-N 2 2 383.493 -1.523 20 0 GAADLP C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000672009635 1074786397 /nfs/dbraw/zinc/78/63/97/1074786397.db2.gz BOFDYHHDSUODAA-HIFRSBDPSA-N 2 2 383.493 -1.523 20 0 GAADLP C[C@@H](NC(=O)C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000672009636 1074786428 /nfs/dbraw/zinc/78/64/28/1074786428.db2.gz BOFDYHHDSUODAA-UKRRQHHQSA-N 2 2 383.493 -1.523 20 0 GAADLP C[C@@H](NC(=O)C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000672009636 1074786420 /nfs/dbraw/zinc/78/64/20/1074786420.db2.gz BOFDYHHDSUODAA-UKRRQHHQSA-N 2 2 383.493 -1.523 20 0 GAADLP C[C@H](NC(=O)C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000672009637 1074786185 /nfs/dbraw/zinc/78/61/85/1074786185.db2.gz BOFDYHHDSUODAA-ZFWWWQNUSA-N 2 2 383.493 -1.523 20 0 GAADLP C[C@H](NC(=O)C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000672009637 1074786175 /nfs/dbraw/zinc/78/61/75/1074786175.db2.gz BOFDYHHDSUODAA-ZFWWWQNUSA-N 2 2 383.493 -1.523 20 0 GAADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000672164383 1074793884 /nfs/dbraw/zinc/79/38/84/1074793884.db2.gz HJCWIYFCCFPKHV-INIZCTEOSA-N 2 2 397.520 -1.164 20 0 GAADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000672164383 1074793876 /nfs/dbraw/zinc/79/38/76/1074793876.db2.gz HJCWIYFCCFPKHV-INIZCTEOSA-N 2 2 397.520 -1.164 20 0 GAADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000672164384 1074793734 /nfs/dbraw/zinc/79/37/34/1074793734.db2.gz HJCWIYFCCFPKHV-MRXNPFEDSA-N 2 2 397.520 -1.164 20 0 GAADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000672164384 1074793729 /nfs/dbraw/zinc/79/37/29/1074793729.db2.gz HJCWIYFCCFPKHV-MRXNPFEDSA-N 2 2 397.520 -1.164 20 0 GAADLP COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638514 1074799166 /nfs/dbraw/zinc/79/91/66/1074799166.db2.gz RXIKWYDNTRTXAG-HNNXBMFYSA-N 2 2 395.504 -1.412 20 0 GAADLP COCC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638514 1074799159 /nfs/dbraw/zinc/79/91/59/1074799159.db2.gz RXIKWYDNTRTXAG-HNNXBMFYSA-N 2 2 395.504 -1.412 20 0 GAADLP COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638517 1074799403 /nfs/dbraw/zinc/79/94/03/1074799403.db2.gz RXIKWYDNTRTXAG-OAHLLOKOSA-N 2 2 395.504 -1.412 20 0 GAADLP COCC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000672638517 1074799394 /nfs/dbraw/zinc/79/93/94/1074799394.db2.gz RXIKWYDNTRTXAG-OAHLLOKOSA-N 2 2 395.504 -1.412 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)C2)CC1 ZINC000672641751 1074799870 /nfs/dbraw/zinc/79/98/70/1074799870.db2.gz XBAYNRPFWMCCAQ-DOTOQJQBSA-N 2 2 379.505 -1.186 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)C2)CC1 ZINC000672641751 1074799864 /nfs/dbraw/zinc/79/98/64/1074799864.db2.gz XBAYNRPFWMCCAQ-DOTOQJQBSA-N 2 2 379.505 -1.186 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)C2)CC1 ZINC000672641754 1074799629 /nfs/dbraw/zinc/79/96/29/1074799629.db2.gz XBAYNRPFWMCCAQ-NVXWUHKLSA-N 2 2 379.505 -1.186 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)C2)CC1 ZINC000672641754 1074799627 /nfs/dbraw/zinc/79/96/27/1074799627.db2.gz XBAYNRPFWMCCAQ-NVXWUHKLSA-N 2 2 379.505 -1.186 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)C2)CC1 ZINC000672641757 1074799788 /nfs/dbraw/zinc/79/97/88/1074799788.db2.gz XBAYNRPFWMCCAQ-RDJZCZTQSA-N 2 2 379.505 -1.186 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)C2)CC1 ZINC000672641757 1074799782 /nfs/dbraw/zinc/79/97/82/1074799782.db2.gz XBAYNRPFWMCCAQ-RDJZCZTQSA-N 2 2 379.505 -1.186 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)C2)CC1 ZINC000672641758 1074799904 /nfs/dbraw/zinc/79/99/04/1074799904.db2.gz XBAYNRPFWMCCAQ-WBVHZDCISA-N 2 2 379.505 -1.186 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)C2)CC1 ZINC000672641758 1074799897 /nfs/dbraw/zinc/79/98/97/1074799897.db2.gz XBAYNRPFWMCCAQ-WBVHZDCISA-N 2 2 379.505 -1.186 20 0 GAADLP CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642029 1074799081 /nfs/dbraw/zinc/79/90/81/1074799081.db2.gz WJYHBOGRYRFHMC-DZGCQCFKSA-N 2 2 381.477 -1.756 20 0 GAADLP CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642029 1074799075 /nfs/dbraw/zinc/79/90/75/1074799075.db2.gz WJYHBOGRYRFHMC-DZGCQCFKSA-N 2 2 381.477 -1.756 20 0 GAADLP CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642030 1074799138 /nfs/dbraw/zinc/79/91/38/1074799138.db2.gz WJYHBOGRYRFHMC-HIFRSBDPSA-N 2 2 381.477 -1.756 20 0 GAADLP CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642030 1074799134 /nfs/dbraw/zinc/79/91/34/1074799134.db2.gz WJYHBOGRYRFHMC-HIFRSBDPSA-N 2 2 381.477 -1.756 20 0 GAADLP CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642031 1074798820 /nfs/dbraw/zinc/79/88/20/1074798820.db2.gz WJYHBOGRYRFHMC-UKRRQHHQSA-N 2 2 381.477 -1.756 20 0 GAADLP CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642031 1074798812 /nfs/dbraw/zinc/79/88/12/1074798812.db2.gz WJYHBOGRYRFHMC-UKRRQHHQSA-N 2 2 381.477 -1.756 20 0 GAADLP CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642032 1074798868 /nfs/dbraw/zinc/79/88/68/1074798868.db2.gz WJYHBOGRYRFHMC-ZFWWWQNUSA-N 2 2 381.477 -1.756 20 0 GAADLP CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642032 1074798855 /nfs/dbraw/zinc/79/88/55/1074798855.db2.gz WJYHBOGRYRFHMC-ZFWWWQNUSA-N 2 2 381.477 -1.756 20 0 GAADLP CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642516 1074799113 /nfs/dbraw/zinc/79/91/13/1074799113.db2.gz CBHBNOZINGQTNS-DOTOQJQBSA-N 2 2 395.504 -1.365 20 0 GAADLP CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642516 1074799108 /nfs/dbraw/zinc/79/91/08/1074799108.db2.gz CBHBNOZINGQTNS-DOTOQJQBSA-N 2 2 395.504 -1.365 20 0 GAADLP CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642519 1074799051 /nfs/dbraw/zinc/79/90/51/1074799051.db2.gz CBHBNOZINGQTNS-NVXWUHKLSA-N 2 2 395.504 -1.365 20 0 GAADLP CC(=O)NC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642519 1074799047 /nfs/dbraw/zinc/79/90/47/1074799047.db2.gz CBHBNOZINGQTNS-NVXWUHKLSA-N 2 2 395.504 -1.365 20 0 GAADLP CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642521 1074799272 /nfs/dbraw/zinc/79/92/72/1074799272.db2.gz CBHBNOZINGQTNS-RDJZCZTQSA-N 2 2 395.504 -1.365 20 0 GAADLP CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642521 1074799268 /nfs/dbraw/zinc/79/92/68/1074799268.db2.gz CBHBNOZINGQTNS-RDJZCZTQSA-N 2 2 395.504 -1.365 20 0 GAADLP CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642523 1074799193 /nfs/dbraw/zinc/79/91/93/1074799193.db2.gz CBHBNOZINGQTNS-WBVHZDCISA-N 2 2 395.504 -1.365 20 0 GAADLP CC(=O)NC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC000672642523 1074799187 /nfs/dbraw/zinc/79/91/87/1074799187.db2.gz CBHBNOZINGQTNS-WBVHZDCISA-N 2 2 395.504 -1.365 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)NCC2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCOCC2)C1 ZINC000673526060 1074825492 /nfs/dbraw/zinc/82/54/92/1074825492.db2.gz MPFXENQTMJYXHU-HOTGVXAUSA-N 2 2 398.504 -1.323 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)NCC2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCOCC2)C1 ZINC000673526060 1074825486 /nfs/dbraw/zinc/82/54/86/1074825486.db2.gz MPFXENQTMJYXHU-HOTGVXAUSA-N 2 2 398.504 -1.323 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)NCC2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCOCC2)C1 ZINC000673526061 1074825460 /nfs/dbraw/zinc/82/54/60/1074825460.db2.gz MPFXENQTMJYXHU-HZPDHXFCSA-N 2 2 398.504 -1.323 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)NCC2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCOCC2)C1 ZINC000673526061 1074825455 /nfs/dbraw/zinc/82/54/55/1074825455.db2.gz MPFXENQTMJYXHU-HZPDHXFCSA-N 2 2 398.504 -1.323 20 0 GAADLP COc1nc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000674246719 1074858645 /nfs/dbraw/zinc/85/86/45/1074858645.db2.gz IKMQRBPQTBVTKQ-GASCZTMLSA-N 2 2 395.508 -1.114 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000674398967 1074859783 /nfs/dbraw/zinc/85/97/83/1074859783.db2.gz UEQVAZWKTCGOHD-MSOLQXFVSA-N 2 2 399.536 -1.273 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674398967 1074859780 /nfs/dbraw/zinc/85/97/80/1074859780.db2.gz UEQVAZWKTCGOHD-MSOLQXFVSA-N 2 2 399.536 -1.273 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000674398973 1074859887 /nfs/dbraw/zinc/85/98/87/1074859887.db2.gz UEQVAZWKTCGOHD-QZTJIDSGSA-N 2 2 399.536 -1.273 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674398973 1074859881 /nfs/dbraw/zinc/85/98/81/1074859881.db2.gz UEQVAZWKTCGOHD-QZTJIDSGSA-N 2 2 399.536 -1.273 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000674398975 1074859937 /nfs/dbraw/zinc/85/99/37/1074859937.db2.gz UEQVAZWKTCGOHD-ROUUACIJSA-N 2 2 399.536 -1.273 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674398975 1074859932 /nfs/dbraw/zinc/85/99/32/1074859932.db2.gz UEQVAZWKTCGOHD-ROUUACIJSA-N 2 2 399.536 -1.273 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000674398977 1074859837 /nfs/dbraw/zinc/85/98/37/1074859837.db2.gz UEQVAZWKTCGOHD-ZWKOTPCHSA-N 2 2 399.536 -1.273 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000674398977 1074859831 /nfs/dbraw/zinc/85/98/31/1074859831.db2.gz UEQVAZWKTCGOHD-ZWKOTPCHSA-N 2 2 399.536 -1.273 20 0 GAADLP CNc1nc(N2CC[NH+](C[C@@H](C)O)CC2)nc(N2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000675150872 1074863126 /nfs/dbraw/zinc/86/31/26/1074863126.db2.gz TUPYKDDZWJTEDB-GASCZTMLSA-N 2 2 394.524 -1.659 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000675331500 1074863731 /nfs/dbraw/zinc/86/37/31/1074863731.db2.gz SNEQTSACCSHRNU-HNNXBMFYSA-N 2 2 387.550 -1.152 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000675331500 1074863726 /nfs/dbraw/zinc/86/37/26/1074863726.db2.gz SNEQTSACCSHRNU-HNNXBMFYSA-N 2 2 387.550 -1.152 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000675331511 1074863795 /nfs/dbraw/zinc/86/37/95/1074863795.db2.gz SNEQTSACCSHRNU-OAHLLOKOSA-N 2 2 387.550 -1.152 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000675331511 1074863791 /nfs/dbraw/zinc/86/37/91/1074863791.db2.gz SNEQTSACCSHRNU-OAHLLOKOSA-N 2 2 387.550 -1.152 20 0 GAADLP C[NH+](C)CC(=O)N1CCN(C/C=C/CN2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000677552186 1073471860 /nfs/dbraw/zinc/47/18/60/1073471860.db2.gz YECVLMRYTTZABW-AATRIKPKSA-N 2 2 394.564 -1.046 20 0 GAADLP C[NH+](C)CC(=O)N1CCN(C/C=C\CN2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000677552192 1073471717 /nfs/dbraw/zinc/47/17/17/1073471717.db2.gz YECVLMRYTTZABW-WAYWQWQTSA-N 2 2 394.564 -1.046 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000677558955 530184358 /nfs/dbraw/zinc/18/43/58/530184358.db2.gz RTHRVHRWPOCBEP-JHZNUDOXSA-N 2 2 380.536 -1.210 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000677558955 530184356 /nfs/dbraw/zinc/18/43/56/530184356.db2.gz RTHRVHRWPOCBEP-JHZNUDOXSA-N 2 2 380.536 -1.210 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000677558956 530184519 /nfs/dbraw/zinc/18/45/19/530184519.db2.gz RTHRVHRWPOCBEP-LQOBQMSGSA-N 2 2 380.536 -1.210 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000677558956 530184515 /nfs/dbraw/zinc/18/45/15/530184515.db2.gz RTHRVHRWPOCBEP-LQOBQMSGSA-N 2 2 380.536 -1.210 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000677558956 530184512 /nfs/dbraw/zinc/18/45/12/530184512.db2.gz RTHRVHRWPOCBEP-LQOBQMSGSA-N 2 2 380.536 -1.210 20 0 GAADLP CNS(=O)(=O)[C@@H]1CC[NH+](C/C=C\C[N@H+]2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000677558956 530184508 /nfs/dbraw/zinc/18/45/08/530184508.db2.gz RTHRVHRWPOCBEP-LQOBQMSGSA-N 2 2 380.536 -1.210 20 0 GAADLP CN(C(=O)C1(NC(N)=O)CC1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000678080385 1073475007 /nfs/dbraw/zinc/47/50/07/1073475007.db2.gz BYSBUHJUQYRTMJ-UHFFFAOYSA-N 2 2 380.493 -1.116 20 0 GAADLP Cn1cnc2c1c(=O)n(CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)c(=O)n2C ZINC000679380030 1073485125 /nfs/dbraw/zinc/48/51/25/1073485125.db2.gz SPAQOTIMXCIDDN-UHFFFAOYSA-N 2 2 391.476 -1.470 20 0 GAADLP Cn1cnc2c1c(=O)n(CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1)c(=O)n2C ZINC000679380030 1073485115 /nfs/dbraw/zinc/48/51/15/1073485115.db2.gz SPAQOTIMXCIDDN-UHFFFAOYSA-N 2 2 391.476 -1.470 20 0 GAADLP CCN(C(=O)CN1CC[NH+](C)CC1)C1CN(C(=O)CN2CC[NH+](C)CC2)C1 ZINC000684497763 1073572487 /nfs/dbraw/zinc/57/24/87/1073572487.db2.gz IMPNBZZZUAZDOV-UHFFFAOYSA-N 2 2 380.537 -1.460 20 0 GAADLP C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3CC[N@@H+](C)[C@@H](C)C3)CC2)CC[NH+]1C ZINC000761070882 1074537890 /nfs/dbraw/zinc/53/78/90/1074537890.db2.gz AQKPPPCOYTWZSW-HDICACEKSA-N 2 2 394.564 -1.071 20 0 GAADLP C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3CC[N@H+](C)[C@@H](C)C3)CC2)CC[NH+]1C ZINC000761070882 1074537879 /nfs/dbraw/zinc/53/78/79/1074537879.db2.gz AQKPPPCOYTWZSW-HDICACEKSA-N 2 2 394.564 -1.071 20 0 GAADLP C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3CC[NH+](C)[C@@H](C)C3)CC2)CC[N@H+]1C ZINC000761070882 1074537871 /nfs/dbraw/zinc/53/78/71/1074537871.db2.gz AQKPPPCOYTWZSW-HDICACEKSA-N 2 2 394.564 -1.071 20 0 GAADLP C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3CC[NH+](C)[C@@H](C)C3)CC2)CC[N@@H+]1C ZINC000761070882 1074537860 /nfs/dbraw/zinc/53/78/60/1074537860.db2.gz AQKPPPCOYTWZSW-HDICACEKSA-N 2 2 394.564 -1.071 20 0 GAADLP C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3CC[N@@H+](C)[C@H](C)C3)CC2)CC[NH+]1C ZINC000761070886 1074537951 /nfs/dbraw/zinc/53/79/51/1074537951.db2.gz AQKPPPCOYTWZSW-QZTJIDSGSA-N 2 2 394.564 -1.071 20 0 GAADLP C[C@@H]1CN(CC(=O)N2CCN(C(=O)CN3CC[N@H+](C)[C@H](C)C3)CC2)CC[NH+]1C ZINC000761070886 1074537941 /nfs/dbraw/zinc/53/79/41/1074537941.db2.gz AQKPPPCOYTWZSW-QZTJIDSGSA-N 2 2 394.564 -1.071 20 0 GAADLP C[C@H]1CN(CC(=O)N2CCN(C(=O)CN3CC[N@@H+](C)[C@@H](C)C3)CC2)CC[NH+]1C ZINC000761070889 1074537700 /nfs/dbraw/zinc/53/77/00/1074537700.db2.gz AQKPPPCOYTWZSW-ROUUACIJSA-N 2 2 394.564 -1.071 20 0 GAADLP C[C@H]1CN(CC(=O)N2CCN(C(=O)CN3CC[N@H+](C)[C@@H](C)C3)CC2)CC[NH+]1C ZINC000761070889 1074537687 /nfs/dbraw/zinc/53/76/87/1074537687.db2.gz AQKPPPCOYTWZSW-ROUUACIJSA-N 2 2 394.564 -1.071 20 0 GAADLP 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 ZINC000782633267 1073744883 /nfs/dbraw/zinc/74/48/83/1073744883.db2.gz NKWREXAHESRQCI-OBMJPTGESA-N 2 2 392.500 -1.714 20 0 GAADLP 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 ZINC000782633267 1073744872 /nfs/dbraw/zinc/74/48/72/1073744872.db2.gz NKWREXAHESRQCI-OBMJPTGESA-N 2 2 392.500 -1.714 20 0 GAADLP 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 ZINC000782633267 1073744859 /nfs/dbraw/zinc/74/48/59/1073744859.db2.gz NKWREXAHESRQCI-OBMJPTGESA-N 2 2 392.500 -1.714 20 0 GAADLP 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 ZINC000782633267 1073744846 /nfs/dbraw/zinc/74/48/46/1073744846.db2.gz NKWREXAHESRQCI-OBMJPTGESA-N 2 2 392.500 -1.714 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804054599 1073527320 /nfs/dbraw/zinc/52/73/20/1073527320.db2.gz AIKHCXNTSNHCTI-HRCADAONSA-N 2 2 384.477 -1.883 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804054599 1073527315 /nfs/dbraw/zinc/52/73/15/1073527315.db2.gz AIKHCXNTSNHCTI-HRCADAONSA-N 2 2 384.477 -1.883 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000804054600 1073527520 /nfs/dbraw/zinc/52/75/20/1073527520.db2.gz AIKHCXNTSNHCTI-JYJNAYRXSA-N 2 2 384.477 -1.883 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000804054600 1073527506 /nfs/dbraw/zinc/52/75/06/1073527506.db2.gz AIKHCXNTSNHCTI-JYJNAYRXSA-N 2 2 384.477 -1.883 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804054601 1073527669 /nfs/dbraw/zinc/52/76/69/1073527669.db2.gz AIKHCXNTSNHCTI-OWCLPIDISA-N 2 2 384.477 -1.883 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804054601 1073527656 /nfs/dbraw/zinc/52/76/56/1073527656.db2.gz AIKHCXNTSNHCTI-OWCLPIDISA-N 2 2 384.477 -1.883 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000804054602 1073527455 /nfs/dbraw/zinc/52/74/55/1073527455.db2.gz AIKHCXNTSNHCTI-PMPSAXMXSA-N 2 2 384.477 -1.883 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000804054602 1073527446 /nfs/dbraw/zinc/52/74/46/1073527446.db2.gz AIKHCXNTSNHCTI-PMPSAXMXSA-N 2 2 384.477 -1.883 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000817815741 1075043964 /nfs/dbraw/zinc/04/39/64/1075043964.db2.gz YNVXRGOQQWYJMY-DOTOQJQBSA-N 2 2 398.504 -1.229 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000817815741 1075043958 /nfs/dbraw/zinc/04/39/58/1075043958.db2.gz YNVXRGOQQWYJMY-DOTOQJQBSA-N 2 2 398.504 -1.229 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000817815744 1075043844 /nfs/dbraw/zinc/04/38/44/1075043844.db2.gz YNVXRGOQQWYJMY-NVXWUHKLSA-N 2 2 398.504 -1.229 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000817815744 1075043839 /nfs/dbraw/zinc/04/38/39/1075043839.db2.gz YNVXRGOQQWYJMY-NVXWUHKLSA-N 2 2 398.504 -1.229 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000817815746 1075044049 /nfs/dbraw/zinc/04/40/49/1075044049.db2.gz YNVXRGOQQWYJMY-RDJZCZTQSA-N 2 2 398.504 -1.229 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000817815746 1075044045 /nfs/dbraw/zinc/04/40/45/1075044045.db2.gz YNVXRGOQQWYJMY-RDJZCZTQSA-N 2 2 398.504 -1.229 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000817815747 1075044006 /nfs/dbraw/zinc/04/40/06/1075044006.db2.gz YNVXRGOQQWYJMY-WBVHZDCISA-N 2 2 398.504 -1.229 20 0 GAADLP COCC(COC)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000817815747 1075044003 /nfs/dbraw/zinc/04/40/03/1075044003.db2.gz YNVXRGOQQWYJMY-WBVHZDCISA-N 2 2 398.504 -1.229 20 0 GAADLP Cn1c(=O)c(-c2nn[nH]n2)c(N(CCC[NH+](C)C)CCC[NH+](C)C)n(C)c1=O ZINC000821584504 606301276 /nfs/dbraw/zinc/30/12/76/606301276.db2.gz HCYDWJPBYNKDOM-UHFFFAOYSA-N 2 2 393.496 -1.026 20 0 GAADLP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@H]1C[C@H]1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000822159255 1075049043 /nfs/dbraw/zinc/04/90/43/1075049043.db2.gz MMLYCCVBQBOZPJ-LUKYLMHMSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@H]1C[C@H]1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000822159255 1075049039 /nfs/dbraw/zinc/04/90/39/1075049039.db2.gz MMLYCCVBQBOZPJ-LUKYLMHMSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000822159255 1075049034 /nfs/dbraw/zinc/04/90/34/1075049034.db2.gz MMLYCCVBQBOZPJ-LUKYLMHMSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000822159255 1075049031 /nfs/dbraw/zinc/04/90/31/1075049031.db2.gz MMLYCCVBQBOZPJ-LUKYLMHMSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1C[C@H]1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000822159259 1075049012 /nfs/dbraw/zinc/04/90/12/1075049012.db2.gz MMLYCCVBQBOZPJ-VQHPVUNQSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1C[C@H]1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000822159259 1075049007 /nfs/dbraw/zinc/04/90/07/1075049007.db2.gz MMLYCCVBQBOZPJ-VQHPVUNQSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000822159259 1075049002 /nfs/dbraw/zinc/04/90/02/1075049002.db2.gz MMLYCCVBQBOZPJ-VQHPVUNQSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000822159259 1075048998 /nfs/dbraw/zinc/04/89/98/1075048998.db2.gz MMLYCCVBQBOZPJ-VQHPVUNQSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000822159261 1075048897 /nfs/dbraw/zinc/04/88/97/1075048897.db2.gz MMLYCCVBQBOZPJ-WNKDZCFJSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000822159261 1075048893 /nfs/dbraw/zinc/04/88/93/1075048893.db2.gz MMLYCCVBQBOZPJ-WNKDZCFJSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000822159261 1075048887 /nfs/dbraw/zinc/04/88/87/1075048887.db2.gz MMLYCCVBQBOZPJ-WNKDZCFJSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000822159261 1075048883 /nfs/dbraw/zinc/04/88/83/1075048883.db2.gz MMLYCCVBQBOZPJ-WNKDZCFJSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1C[C@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000822159262 1075049096 /nfs/dbraw/zinc/04/90/96/1075049096.db2.gz MMLYCCVBQBOZPJ-ZYGGUILKSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1C[C@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000822159262 1075049094 /nfs/dbraw/zinc/04/90/94/1075049094.db2.gz MMLYCCVBQBOZPJ-ZYGGUILKSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1C[C@H]1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000822159262 1075049092 /nfs/dbraw/zinc/04/90/92/1075049092.db2.gz MMLYCCVBQBOZPJ-ZYGGUILKSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1C[C@H]1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000822159262 1075049090 /nfs/dbraw/zinc/04/90/90/1075049090.db2.gz MMLYCCVBQBOZPJ-ZYGGUILKSA-N 2 2 382.505 -1.328 20 0 GAADLP O=C([C@@H]1C[C@@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000823505779 1075050795 /nfs/dbraw/zinc/05/07/95/1075050795.db2.gz HAZKRNAPKILZDU-VQHPVUNQSA-N 2 2 378.473 -1.823 20 0 GAADLP O=C([C@@H]1C[C@@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000823505779 1075050791 /nfs/dbraw/zinc/05/07/91/1075050791.db2.gz HAZKRNAPKILZDU-VQHPVUNQSA-N 2 2 378.473 -1.823 20 0 GAADLP O=C([C@@H]1C[C@@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000823505779 1075050787 /nfs/dbraw/zinc/05/07/87/1075050787.db2.gz HAZKRNAPKILZDU-VQHPVUNQSA-N 2 2 378.473 -1.823 20 0 GAADLP O=C([C@@H]1C[C@@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000823505779 1075050782 /nfs/dbraw/zinc/05/07/82/1075050782.db2.gz HAZKRNAPKILZDU-VQHPVUNQSA-N 2 2 378.473 -1.823 20 0 GAADLP CCC(C)(C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000824019219 1075051145 /nfs/dbraw/zinc/05/11/45/1075051145.db2.gz PUAPAJXJAVNLGH-IAGOWNOFSA-N 2 2 394.516 -1.043 20 0 GAADLP CCC(C)(C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000824019219 1075051142 /nfs/dbraw/zinc/05/11/42/1075051142.db2.gz PUAPAJXJAVNLGH-IAGOWNOFSA-N 2 2 394.516 -1.043 20 0 GAADLP Cc1nc(N2CC([NH+]3CC[C@@H](O)C3)C2)nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)n1 ZINC000826569586 1075513571 /nfs/dbraw/zinc/51/35/71/1075513571.db2.gz YYKOGUDCIOELIQ-HZPDHXFCSA-N 2 2 375.477 -1.310 20 0 GAADLP Cc1nc(N2CC([NH+]3CC[C@@H](O)C3)C2)nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC000826569586 1075513567 /nfs/dbraw/zinc/51/35/67/1075513567.db2.gz YYKOGUDCIOELIQ-HZPDHXFCSA-N 2 2 375.477 -1.310 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000834582377 1073864090 /nfs/dbraw/zinc/86/40/90/1073864090.db2.gz LCJPFZKTKKMKLA-GASCZTMLSA-N 2 2 397.520 -1.119 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000834582377 1073864083 /nfs/dbraw/zinc/86/40/83/1073864083.db2.gz LCJPFZKTKKMKLA-GASCZTMLSA-N 2 2 397.520 -1.119 20 0 GAADLP [NH3+]C[C@H]1CC(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)=NO1 ZINC000852858988 1075444965 /nfs/dbraw/zinc/44/49/65/1075444965.db2.gz KKJYUSRFMXRMMU-CYBMUJFWSA-N 2 2 396.473 -1.247 20 0 GAADLP [NH3+]C[C@@H]1CC(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)=NO1 ZINC000852858989 1075444956 /nfs/dbraw/zinc/44/49/56/1075444956.db2.gz KKJYUSRFMXRMMU-ZDUSSCGKSA-N 2 2 396.473 -1.247 20 0 GAADLP CN(C(=O)C1=NO[C@H](C[NH3+])C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000852884532 1075445047 /nfs/dbraw/zinc/44/50/47/1075445047.db2.gz HIORCADDGOPBOM-HNNXBMFYSA-N 3 2 380.493 -1.213 20 0 GAADLP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000852884536 1075445000 /nfs/dbraw/zinc/44/50/00/1075445000.db2.gz HIORCADDGOPBOM-OAHLLOKOSA-N 3 2 380.493 -1.213 20 0 GAADLP NC(=O)C[NH+]1CCCN(c2cnc(N3CCC[N@H+](CC(N)=O)CC3)cn2)CC1 ZINC000853214114 1075445735 /nfs/dbraw/zinc/44/57/35/1075445735.db2.gz FEDSRMIZVQJHFM-UHFFFAOYSA-N 2 2 390.492 -1.529 20 0 GAADLP NC(=O)C[NH+]1CCCN(c2cnc(N3CCC[N@@H+](CC(N)=O)CC3)cn2)CC1 ZINC000853214114 1075445732 /nfs/dbraw/zinc/44/57/32/1075445732.db2.gz FEDSRMIZVQJHFM-UHFFFAOYSA-N 2 2 390.492 -1.529 20 0 GAADLP CN(C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1)C(=O)CC[NH+]1CCOCC1 ZINC000854609467 1075448091 /nfs/dbraw/zinc/44/80/91/1075448091.db2.gz QVFCTFNSBKMIFJ-INIZCTEOSA-N 2 2 386.493 -1.634 20 0 GAADLP CN(C[C@H](O)CNC(=O)CC[NH+]1CCOCC1)C(=O)CC[NH+]1CCOCC1 ZINC000854609468 1075448164 /nfs/dbraw/zinc/44/81/64/1075448164.db2.gz QVFCTFNSBKMIFJ-MRXNPFEDSA-N 2 2 386.493 -1.634 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000857100126 1075452315 /nfs/dbraw/zinc/45/23/15/1075452315.db2.gz AXULQEYDLCZWSJ-CXAGYDPISA-N 2 2 386.518 -1.049 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000857100127 1075452272 /nfs/dbraw/zinc/45/22/72/1075452272.db2.gz AXULQEYDLCZWSJ-DYVFJYSZSA-N 2 2 386.518 -1.049 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000857100128 1075452417 /nfs/dbraw/zinc/45/24/17/1075452417.db2.gz AXULQEYDLCZWSJ-GUYCJALGSA-N 2 2 386.518 -1.049 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000857100129 1075452371 /nfs/dbraw/zinc/45/23/71/1075452371.db2.gz AXULQEYDLCZWSJ-SUMWQHHRSA-N 2 2 386.518 -1.049 20 0 GAADLP CC[NH+]1CCN(C(=O)C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000863749593 1075470047 /nfs/dbraw/zinc/47/00/47/1075470047.db2.gz VNAJUAIHOOKAMF-CABCVRRESA-N 2 2 379.461 -1.066 20 0 GAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000863749939 1075470006 /nfs/dbraw/zinc/47/00/06/1075470006.db2.gz GPJZYUFWTCTVFV-CYBMUJFWSA-N 2 2 390.510 -2.572 20 0 GAADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000863749940 1075469917 /nfs/dbraw/zinc/46/99/17/1075469917.db2.gz GPJZYUFWTCTVFV-ZDUSSCGKSA-N 2 2 390.510 -2.572 20 0 GAADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000863761525 1075470538 /nfs/dbraw/zinc/47/05/38/1075470538.db2.gz YSHHWEKQAYIFHS-AWEZNQCLSA-N 2 2 391.476 -1.233 20 0 GAADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000863761525 1075470534 /nfs/dbraw/zinc/47/05/34/1075470534.db2.gz YSHHWEKQAYIFHS-AWEZNQCLSA-N 2 2 391.476 -1.233 20 0 GAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000863761526 1075470512 /nfs/dbraw/zinc/47/05/12/1075470512.db2.gz YSHHWEKQAYIFHS-CQSZACIVSA-N 2 2 391.476 -1.233 20 0 GAADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000863761526 1075470507 /nfs/dbraw/zinc/47/05/07/1075470507.db2.gz YSHHWEKQAYIFHS-CQSZACIVSA-N 2 2 391.476 -1.233 20 0 GAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(F)(F)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000865934387 1075472255 /nfs/dbraw/zinc/47/22/55/1075472255.db2.gz RETLAROPYUOPHL-OKILXGFUSA-N 2 2 390.479 -1.654 20 0 GAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(F)(F)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000865934387 1075472251 /nfs/dbraw/zinc/47/22/51/1075472251.db2.gz RETLAROPYUOPHL-OKILXGFUSA-N 2 2 390.479 -1.654 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(F)(F)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000865934387 1075472245 /nfs/dbraw/zinc/47/22/45/1075472245.db2.gz RETLAROPYUOPHL-OKILXGFUSA-N 2 2 390.479 -1.654 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(F)(F)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000865934387 1075472225 /nfs/dbraw/zinc/47/22/25/1075472225.db2.gz RETLAROPYUOPHL-OKILXGFUSA-N 2 2 390.479 -1.654 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867315157 1075417362 /nfs/dbraw/zinc/41/73/62/1075417362.db2.gz XDAZXTCKHNEYMH-IAGOWNOFSA-N 3 2 383.537 -1.025 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867675646 1075474293 /nfs/dbraw/zinc/47/42/93/1075474293.db2.gz IQKRXYAOUPYRBJ-GVDBMIGSSA-N 3 2 383.537 -1.291 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000868356819 1075476303 /nfs/dbraw/zinc/47/63/03/1075476303.db2.gz HFSAMFDWENDZQD-KFWWJZLASA-N 2 2 395.460 -1.830 20 0 GAADLP COCC[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC000868356820 1075476175 /nfs/dbraw/zinc/47/61/75/1075476175.db2.gz HFSAMFDWENDZQD-ZNMIVQPWSA-N 2 2 395.460 -1.830 20 0 GAADLP O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868357618 1075476308 /nfs/dbraw/zinc/47/63/08/1075476308.db2.gz CJOGFPUBWATWID-KFWWJZLASA-N 2 2 377.445 -1.314 20 0 GAADLP O=C(C(=O)N1CC[NH+](C2CC2)CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000868357619 1075476210 /nfs/dbraw/zinc/47/62/10/1075476210.db2.gz CJOGFPUBWATWID-ZNMIVQPWSA-N 2 2 377.445 -1.314 20 0 GAADLP O=C(C(F)C(=O)N1CC(C[NH+]2CCOCC2)C1)N1CC(C[NH+]2CCOCC2)C1 ZINC000868505597 1075478340 /nfs/dbraw/zinc/47/83/40/1075478340.db2.gz WKXPQWMWMBPOTC-UHFFFAOYSA-N 2 2 398.479 -1.094 20 0 GAADLP O=C(CC[NH+]1CCOCC1)NCC1(NC(=O)CC[NH+]2CCOCC2)COC1 ZINC000870198931 1075479714 /nfs/dbraw/zinc/47/97/14/1075479714.db2.gz FZVZWQMHGKEYLF-UHFFFAOYSA-N 2 2 384.477 -1.568 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CCO2)C1 ZINC000871461987 1075480305 /nfs/dbraw/zinc/48/03/05/1075480305.db2.gz NKWUWGUUHVLWBP-IKGGRYGDSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CCO2)C1 ZINC000871461987 1075480301 /nfs/dbraw/zinc/48/03/01/1075480301.db2.gz NKWUWGUUHVLWBP-IKGGRYGDSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000871461987 1075480299 /nfs/dbraw/zinc/48/02/99/1075480299.db2.gz NKWUWGUUHVLWBP-IKGGRYGDSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000871461987 1075480296 /nfs/dbraw/zinc/48/02/96/1075480296.db2.gz NKWUWGUUHVLWBP-IKGGRYGDSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CCO2)C1 ZINC000871461988 1075480327 /nfs/dbraw/zinc/48/03/27/1075480327.db2.gz NKWUWGUUHVLWBP-IXDOHACOSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)CCO2)C1 ZINC000871461988 1075480325 /nfs/dbraw/zinc/48/03/25/1075480325.db2.gz NKWUWGUUHVLWBP-IXDOHACOSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000871461988 1075480321 /nfs/dbraw/zinc/48/03/21/1075480321.db2.gz NKWUWGUUHVLWBP-IXDOHACOSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000871461988 1075480319 /nfs/dbraw/zinc/48/03/19/1075480319.db2.gz NKWUWGUUHVLWBP-IXDOHACOSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CCO2)C1 ZINC000871461989 1075480170 /nfs/dbraw/zinc/48/01/70/1075480170.db2.gz NKWUWGUUHVLWBP-ULQDDVLXSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CCO2)C1 ZINC000871461989 1075480166 /nfs/dbraw/zinc/48/01/66/1075480166.db2.gz NKWUWGUUHVLWBP-ULQDDVLXSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000871461989 1075480163 /nfs/dbraw/zinc/48/01/63/1075480163.db2.gz NKWUWGUUHVLWBP-ULQDDVLXSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000871461989 1075480161 /nfs/dbraw/zinc/48/01/61/1075480161.db2.gz NKWUWGUUHVLWBP-ULQDDVLXSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CCO2)C1 ZINC000871461990 1075480110 /nfs/dbraw/zinc/48/01/10/1075480110.db2.gz NKWUWGUUHVLWBP-YESZJQIVSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)CCO2)C1 ZINC000871461990 1075480106 /nfs/dbraw/zinc/48/01/06/1075480106.db2.gz NKWUWGUUHVLWBP-YESZJQIVSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000871461990 1075480104 /nfs/dbraw/zinc/48/01/04/1075480104.db2.gz NKWUWGUUHVLWBP-YESZJQIVSA-N 2 2 398.504 -1.229 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000871461990 1075480100 /nfs/dbraw/zinc/48/01/00/1075480100.db2.gz NKWUWGUUHVLWBP-YESZJQIVSA-N 2 2 398.504 -1.229 20 0 GAADLP O=C(CC[NH+]1CCOCC1)NC[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC000871462595 1075480250 /nfs/dbraw/zinc/48/02/50/1075480250.db2.gz UKKXNNPBRSINAK-KRWDZBQOSA-N 2 2 398.504 -1.225 20 0 GAADLP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC000871462599 1075480053 /nfs/dbraw/zinc/48/00/53/1075480053.db2.gz UKKXNNPBRSINAK-QGZVFWFLSA-N 2 2 398.504 -1.225 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872195584 1075481173 /nfs/dbraw/zinc/48/11/73/1075481173.db2.gz QCDLZXOCZMMACU-AGIUHOORSA-N 2 2 396.410 -1.267 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872195595 1075481283 /nfs/dbraw/zinc/48/12/83/1075481283.db2.gz QCDLZXOCZMMACU-AVGNSLFASA-N 2 2 396.410 -1.267 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872195596 1075481272 /nfs/dbraw/zinc/48/12/72/1075481272.db2.gz QCDLZXOCZMMACU-FRRDWIJNSA-N 2 2 396.410 -1.267 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872195597 1075481398 /nfs/dbraw/zinc/48/13/98/1075481398.db2.gz QCDLZXOCZMMACU-RWMBFGLXSA-N 2 2 396.410 -1.267 20 0 GAADLP CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)CC1 ZINC000879590842 1075487298 /nfs/dbraw/zinc/48/72/98/1075487298.db2.gz FVXMDCVTBFTXOP-UHFFFAOYSA-N 2 2 394.564 -1.069 20 0 GAADLP CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000883893704 1075489808 /nfs/dbraw/zinc/48/98/08/1075489808.db2.gz PLQGTADJEPKOHB-HNNXBMFYSA-N 2 2 388.538 -1.100 20 0 GAADLP CC[N@@H+]1CC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000883893704 1075489804 /nfs/dbraw/zinc/48/98/04/1075489804.db2.gz PLQGTADJEPKOHB-HNNXBMFYSA-N 2 2 388.538 -1.100 20 0 GAADLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000883893705 1075489831 /nfs/dbraw/zinc/48/98/31/1075489831.db2.gz PLQGTADJEPKOHB-OAHLLOKOSA-N 2 2 388.538 -1.100 20 0 GAADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000883893705 1075489829 /nfs/dbraw/zinc/48/98/29/1075489829.db2.gz PLQGTADJEPKOHB-OAHLLOKOSA-N 2 2 388.538 -1.100 20 0 GAADLP O=C(CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCN(c2cccc[nH+]2)CC1 ZINC000884561791 1075508460 /nfs/dbraw/zinc/50/84/60/1075508460.db2.gz JZJHVYHJXDASQG-GJZGRUSLSA-N 2 2 386.456 -1.191 20 0 GAADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884722300 1075508775 /nfs/dbraw/zinc/50/87/75/1075508775.db2.gz QARBPMZMKOTNMZ-CYBMUJFWSA-N 2 2 377.436 -1.391 20 0 GAADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884722300 1075508765 /nfs/dbraw/zinc/50/87/65/1075508765.db2.gz QARBPMZMKOTNMZ-CYBMUJFWSA-N 2 2 377.436 -1.391 20 0 GAADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000884722301 1075508813 /nfs/dbraw/zinc/50/88/13/1075508813.db2.gz QARBPMZMKOTNMZ-ZDUSSCGKSA-N 2 2 377.436 -1.391 20 0 GAADLP [NH3+]CC(F)(F)CNC(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000884722301 1075508808 /nfs/dbraw/zinc/50/88/08/1075508808.db2.gz QARBPMZMKOTNMZ-ZDUSSCGKSA-N 2 2 377.436 -1.391 20 0 GAADLP O=C(CC[NH+]1CCOCC1)N[C@H]1COC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC000888041677 1075525010 /nfs/dbraw/zinc/52/50/10/1075525010.db2.gz KSHGYJMUQSXFQD-IYBDPMFKSA-N 2 2 384.477 -1.569 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2COC[C@@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000888042102 1075524997 /nfs/dbraw/zinc/52/49/97/1075524997.db2.gz PQKYPAQPPDMSPP-FZKCQIBNSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2COC[C@@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000888042102 1075524992 /nfs/dbraw/zinc/52/49/92/1075524992.db2.gz PQKYPAQPPDMSPP-FZKCQIBNSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2COC[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000888042102 1075524988 /nfs/dbraw/zinc/52/49/88/1075524988.db2.gz PQKYPAQPPDMSPP-FZKCQIBNSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2COC[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000888042102 1075524981 /nfs/dbraw/zinc/52/49/81/1075524981.db2.gz PQKYPAQPPDMSPP-FZKCQIBNSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2COC[C@@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000888042103 1075524947 /nfs/dbraw/zinc/52/49/47/1075524947.db2.gz PQKYPAQPPDMSPP-GEEKYZPCSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2COC[C@@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000888042103 1075524943 /nfs/dbraw/zinc/52/49/43/1075524943.db2.gz PQKYPAQPPDMSPP-GEEKYZPCSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2COC[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000888042103 1075524937 /nfs/dbraw/zinc/52/49/37/1075524937.db2.gz PQKYPAQPPDMSPP-GEEKYZPCSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2COC[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000888042103 1075524933 /nfs/dbraw/zinc/52/49/33/1075524933.db2.gz PQKYPAQPPDMSPP-GEEKYZPCSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2COC[C@@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000888042106 1075524807 /nfs/dbraw/zinc/52/48/07/1075524807.db2.gz PQKYPAQPPDMSPP-QKPAOTATSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2COC[C@@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000888042106 1075524805 /nfs/dbraw/zinc/52/48/05/1075524805.db2.gz PQKYPAQPPDMSPP-QKPAOTATSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2COC[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000888042106 1075524801 /nfs/dbraw/zinc/52/48/01/1075524801.db2.gz PQKYPAQPPDMSPP-QKPAOTATSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2COC[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000888042106 1075524796 /nfs/dbraw/zinc/52/47/96/1075524796.db2.gz PQKYPAQPPDMSPP-QKPAOTATSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2COC[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000888042108 1075524846 /nfs/dbraw/zinc/52/48/46/1075524846.db2.gz PQKYPAQPPDMSPP-SYMSYNOKSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2COC[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000888042108 1075524840 /nfs/dbraw/zinc/52/48/40/1075524840.db2.gz PQKYPAQPPDMSPP-SYMSYNOKSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2COC[C@@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000888042108 1075524833 /nfs/dbraw/zinc/52/48/33/1075524833.db2.gz PQKYPAQPPDMSPP-SYMSYNOKSA-N 2 2 384.477 -1.572 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2COC[C@@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000888042108 1075524825 /nfs/dbraw/zinc/52/48/25/1075524825.db2.gz PQKYPAQPPDMSPP-SYMSYNOKSA-N 2 2 384.477 -1.572 20 0 GAADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000897349195 1074249038 /nfs/dbraw/zinc/24/90/38/1074249038.db2.gz PJIMAOASKFSIDV-INIZCTEOSA-N 2 2 378.477 -1.088 20 0 GAADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000897349195 1074249033 /nfs/dbraw/zinc/24/90/33/1074249033.db2.gz PJIMAOASKFSIDV-INIZCTEOSA-N 2 2 378.477 -1.088 20 0 GAADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000897349196 1074248975 /nfs/dbraw/zinc/24/89/75/1074248975.db2.gz PJIMAOASKFSIDV-MRXNPFEDSA-N 2 2 378.477 -1.088 20 0 GAADLP O=C(NCCn1cc[nH+]c1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000897349196 1074248972 /nfs/dbraw/zinc/24/89/72/1074248972.db2.gz PJIMAOASKFSIDV-MRXNPFEDSA-N 2 2 378.477 -1.088 20 0 GAADLP CN(C(=O)C(=O)NCCN1CCNC1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000898696516 1074395838 /nfs/dbraw/zinc/39/58/38/1074395838.db2.gz WFXCQHXFXFFBIA-HNNXBMFYSA-N 2 2 380.493 -1.245 20 0 GAADLP CN(C(=O)C(=O)NCCN1CCNC1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000898696516 1074395831 /nfs/dbraw/zinc/39/58/31/1074395831.db2.gz WFXCQHXFXFFBIA-HNNXBMFYSA-N 2 2 380.493 -1.245 20 0 GAADLP CN(C(=O)C(=O)NCCN1CCNC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000898696517 1074395779 /nfs/dbraw/zinc/39/57/79/1074395779.db2.gz WFXCQHXFXFFBIA-OAHLLOKOSA-N 2 2 380.493 -1.245 20 0 GAADLP CN(C(=O)C(=O)NCCN1CCNC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000898696517 1074395771 /nfs/dbraw/zinc/39/57/71/1074395771.db2.gz WFXCQHXFXFFBIA-OAHLLOKOSA-N 2 2 380.493 -1.245 20 0 GAADLP CN(C(=O)CN1CCNC(=O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000900605705 1073430189 /nfs/dbraw/zinc/43/01/89/1073430189.db2.gz KOZRUXCAIRAONU-UHFFFAOYSA-N 2 2 394.520 -1.885 20 0 GAADLP CN(C(=O)[C@H]1OCCN(C)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000900605794 1073430941 /nfs/dbraw/zinc/43/09/41/1073430941.db2.gz MTRRUCSONHIBNR-KRWDZBQOSA-N 2 2 395.504 -1.460 20 0 GAADLP CN(C(=O)[C@@H]1OCCN(C)C1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000900605795 1073431238 /nfs/dbraw/zinc/43/12/38/1073431238.db2.gz MTRRUCSONHIBNR-QGZVFWFLSA-N 2 2 395.504 -1.460 20 0 GAADLP Cc1nn(CC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)c(=O)o1 ZINC000900605865 1073431056 /nfs/dbraw/zinc/43/10/56/1073431056.db2.gz NLIQQTVCEIUEFR-UHFFFAOYSA-N 2 2 394.476 -1.158 20 0 GAADLP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000903771647 1073450943 /nfs/dbraw/zinc/45/09/43/1073450943.db2.gz OATWAPZZIDVPSP-XWTMOSNGSA-N 3 2 391.516 -1.309 20 0 GAADLP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000903771647 1073450940 /nfs/dbraw/zinc/45/09/40/1073450940.db2.gz OATWAPZZIDVPSP-XWTMOSNGSA-N 3 2 391.516 -1.309 20 0 GAADLP O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000903771647 1073450934 /nfs/dbraw/zinc/45/09/34/1073450934.db2.gz OATWAPZZIDVPSP-XWTMOSNGSA-N 3 2 391.516 -1.309 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903776202 1073450921 /nfs/dbraw/zinc/45/09/21/1073450921.db2.gz OCIRTCKBTLZDRE-IJLUTSLNSA-N 2 2 382.383 -1.514 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903776211 1073450911 /nfs/dbraw/zinc/45/09/11/1073450911.db2.gz OCIRTCKBTLZDRE-QJPTWQEYSA-N 2 2 382.383 -1.514 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903787638 1073450838 /nfs/dbraw/zinc/45/08/38/1073450838.db2.gz UDZMIRHUJZMIAA-AVGNSLFASA-N 2 2 396.410 -1.124 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903787639 1073451465 /nfs/dbraw/zinc/45/14/65/1073451465.db2.gz UDZMIRHUJZMIAA-RWMBFGLXSA-N 2 2 396.410 -1.124 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903787640 1073451708 /nfs/dbraw/zinc/45/17/08/1073451708.db2.gz UDZMIRHUJZMIAA-XQQFMLRXSA-N 2 2 396.410 -1.124 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903787641 1073451734 /nfs/dbraw/zinc/45/17/34/1073451734.db2.gz UDZMIRHUJZMIAA-YNEHKIRRSA-N 2 2 396.410 -1.124 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000903876047 1073452319 /nfs/dbraw/zinc/45/23/19/1073452319.db2.gz INFQIQISKCQOLV-AWEZNQCLSA-N 2 2 388.476 -1.068 20 0 GAADLP COC[C@H]1C[NH2+]CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000903876048 1073452326 /nfs/dbraw/zinc/45/23/26/1073452326.db2.gz INFQIQISKCQOLV-CQSZACIVSA-N 2 2 388.476 -1.068 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000905018466 1074453637 /nfs/dbraw/zinc/45/36/37/1074453637.db2.gz YIFHCIFETMCQOR-INIZCTEOSA-N 2 2 395.504 -1.554 20 0 GAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000905018468 1074453505 /nfs/dbraw/zinc/45/35/05/1074453505.db2.gz YIFHCIFETMCQOR-MRXNPFEDSA-N 2 2 395.504 -1.554 20 0 GAADLP CN(C(=O)CCNC(=O)CO)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000906596337 1074461976 /nfs/dbraw/zinc/46/19/76/1074461976.db2.gz DHXQUHPFSNRRHG-UHFFFAOYSA-N 2 2 383.493 -1.818 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC(O)(c2ncnn2C)C1 ZINC000910772592 1074477365 /nfs/dbraw/zinc/47/73/65/1074477365.db2.gz OTQLRLCLFBMZOB-UHFFFAOYSA-N 2 2 393.492 -1.671 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC(O)(c2ncnn2C)C1 ZINC000910772592 1074477356 /nfs/dbraw/zinc/47/73/56/1074477356.db2.gz OTQLRLCLFBMZOB-UHFFFAOYSA-N 2 2 393.492 -1.671 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC[NH+]1CCO ZINC000910920637 1074481036 /nfs/dbraw/zinc/48/10/36/1074481036.db2.gz UZUCGZZHVYIHOE-CVEARBPZSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH+]1CCO ZINC000910920637 1074481024 /nfs/dbraw/zinc/48/10/24/1074481024.db2.gz UZUCGZZHVYIHOE-CVEARBPZSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)CC[N@H+]1CCO ZINC000910920637 1074481021 /nfs/dbraw/zinc/48/10/21/1074481021.db2.gz UZUCGZZHVYIHOE-CVEARBPZSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)CC[N@@H+]1CCO ZINC000910920637 1074481014 /nfs/dbraw/zinc/48/10/14/1074481014.db2.gz UZUCGZZHVYIHOE-CVEARBPZSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC[NH+]1CCO ZINC000910920638 1074481078 /nfs/dbraw/zinc/48/10/78/1074481078.db2.gz UZUCGZZHVYIHOE-HOTGVXAUSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC[NH+]1CCO ZINC000910920638 1074481074 /nfs/dbraw/zinc/48/10/74/1074481074.db2.gz UZUCGZZHVYIHOE-HOTGVXAUSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)CC[N@H+]1CCO ZINC000910920638 1074481067 /nfs/dbraw/zinc/48/10/67/1074481067.db2.gz UZUCGZZHVYIHOE-HOTGVXAUSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)CC[N@@H+]1CCO ZINC000910920638 1074481064 /nfs/dbraw/zinc/48/10/64/1074481064.db2.gz UZUCGZZHVYIHOE-HOTGVXAUSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC[NH+]1CCO ZINC000910920639 1074481196 /nfs/dbraw/zinc/48/11/96/1074481196.db2.gz UZUCGZZHVYIHOE-HZPDHXFCSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH+]1CCO ZINC000910920639 1074481194 /nfs/dbraw/zinc/48/11/94/1074481194.db2.gz UZUCGZZHVYIHOE-HZPDHXFCSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)CC[N@H+]1CCO ZINC000910920639 1074481190 /nfs/dbraw/zinc/48/11/90/1074481190.db2.gz UZUCGZZHVYIHOE-HZPDHXFCSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)CC[N@@H+]1CCO ZINC000910920639 1074481187 /nfs/dbraw/zinc/48/11/87/1074481187.db2.gz UZUCGZZHVYIHOE-HZPDHXFCSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC[NH+]1CCO ZINC000910920640 1074481112 /nfs/dbraw/zinc/48/11/12/1074481112.db2.gz UZUCGZZHVYIHOE-JKSUJKDBSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC[NH+]1CCO ZINC000910920640 1074481107 /nfs/dbraw/zinc/48/11/07/1074481107.db2.gz UZUCGZZHVYIHOE-JKSUJKDBSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)CC[N@H+]1CCO ZINC000910920640 1074481103 /nfs/dbraw/zinc/48/11/03/1074481103.db2.gz UZUCGZZHVYIHOE-JKSUJKDBSA-N 2 2 382.505 -1.041 20 0 GAADLP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)CC[N@@H+]1CCO ZINC000910920640 1074481099 /nfs/dbraw/zinc/48/10/99/1074481099.db2.gz UZUCGZZHVYIHOE-JKSUJKDBSA-N 2 2 382.505 -1.041 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)C[C@H](C)[NH+]1CCO ZINC000910920659 1074481292 /nfs/dbraw/zinc/48/12/92/1074481292.db2.gz VJBCZLUSMRUCLJ-TWMKSMIVSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H](C)[NH+]1CCO ZINC000910920659 1074481290 /nfs/dbraw/zinc/48/12/90/1074481290.db2.gz VJBCZLUSMRUCLJ-TWMKSMIVSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C[C@H](C)[N@@H+]1CCO ZINC000910920659 1074481283 /nfs/dbraw/zinc/48/12/83/1074481283.db2.gz VJBCZLUSMRUCLJ-TWMKSMIVSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C[C@H](C)[N@H+]1CCO ZINC000910920659 1074481279 /nfs/dbraw/zinc/48/12/79/1074481279.db2.gz VJBCZLUSMRUCLJ-TWMKSMIVSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)C[C@H](C)[NH+]1CCO ZINC000910920664 1074481161 /nfs/dbraw/zinc/48/11/61/1074481161.db2.gz VJBCZLUSMRUCLJ-VVLHAWIVSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H](C)[NH+]1CCO ZINC000910920664 1074481155 /nfs/dbraw/zinc/48/11/55/1074481155.db2.gz VJBCZLUSMRUCLJ-VVLHAWIVSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C[C@H](C)[N@@H+]1CCO ZINC000910920664 1074481150 /nfs/dbraw/zinc/48/11/50/1074481150.db2.gz VJBCZLUSMRUCLJ-VVLHAWIVSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C[C@H](C)[N@H+]1CCO ZINC000910920664 1074481146 /nfs/dbraw/zinc/48/11/46/1074481146.db2.gz VJBCZLUSMRUCLJ-VVLHAWIVSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)C[C@H](C)[NH+]1CCO ZINC000910920666 1074481267 /nfs/dbraw/zinc/48/12/67/1074481267.db2.gz VJBCZLUSMRUCLJ-YVSFHVDLSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)C[C@H](C)[NH+]1CCO ZINC000910920666 1074481265 /nfs/dbraw/zinc/48/12/65/1074481265.db2.gz VJBCZLUSMRUCLJ-YVSFHVDLSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C[C@H](C)[N@@H+]1CCO ZINC000910920666 1074481263 /nfs/dbraw/zinc/48/12/63/1074481263.db2.gz VJBCZLUSMRUCLJ-YVSFHVDLSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3CCO)C[C@H](C)[N@H+]1CCO ZINC000910920666 1074481261 /nfs/dbraw/zinc/48/12/61/1074481261.db2.gz VJBCZLUSMRUCLJ-YVSFHVDLSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)C[C@H](C)[NH+]1CCO ZINC000910920668 1074481760 /nfs/dbraw/zinc/48/17/60/1074481760.db2.gz VJBCZLUSMRUCLJ-YYIAUSFCSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)C[C@H](C)[NH+]1CCO ZINC000910920668 1074481758 /nfs/dbraw/zinc/48/17/58/1074481758.db2.gz VJBCZLUSMRUCLJ-YYIAUSFCSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C[C@H](C)[N@@H+]1CCO ZINC000910920668 1074481756 /nfs/dbraw/zinc/48/17/56/1074481756.db2.gz VJBCZLUSMRUCLJ-YYIAUSFCSA-N 2 2 382.505 -1.043 20 0 GAADLP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C[C@H](C)[N@H+]1CCO ZINC000910920668 1074481754 /nfs/dbraw/zinc/48/17/54/1074481754.db2.gz VJBCZLUSMRUCLJ-YYIAUSFCSA-N 2 2 382.505 -1.043 20 0 GAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000910920669 1074481824 /nfs/dbraw/zinc/48/18/24/1074481824.db2.gz AMJJIGZSPDYPEB-CVEARBPZSA-N 2 2 382.505 -1.041 20 0 GAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000910920669 1074481822 /nfs/dbraw/zinc/48/18/22/1074481822.db2.gz AMJJIGZSPDYPEB-CVEARBPZSA-N 2 2 382.505 -1.041 20 0 GAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000910920671 1074481789 /nfs/dbraw/zinc/48/17/89/1074481789.db2.gz AMJJIGZSPDYPEB-HOTGVXAUSA-N 2 2 382.505 -1.041 20 0 GAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000910920671 1074481788 /nfs/dbraw/zinc/48/17/88/1074481788.db2.gz AMJJIGZSPDYPEB-HOTGVXAUSA-N 2 2 382.505 -1.041 20 0 GAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000910920673 1074481772 /nfs/dbraw/zinc/48/17/72/1074481772.db2.gz AMJJIGZSPDYPEB-HZPDHXFCSA-N 2 2 382.505 -1.041 20 0 GAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000910920673 1074481770 /nfs/dbraw/zinc/48/17/70/1074481770.db2.gz AMJJIGZSPDYPEB-HZPDHXFCSA-N 2 2 382.505 -1.041 20 0 GAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000910920675 1074481874 /nfs/dbraw/zinc/48/18/74/1074481874.db2.gz AMJJIGZSPDYPEB-JKSUJKDBSA-N 2 2 382.505 -1.041 20 0 GAADLP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000910920675 1074481873 /nfs/dbraw/zinc/48/18/73/1074481873.db2.gz AMJJIGZSPDYPEB-JKSUJKDBSA-N 2 2 382.505 -1.041 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000910927709 1074482580 /nfs/dbraw/zinc/48/25/80/1074482580.db2.gz WSXCHCPPWHGWRJ-BBWFWOEESA-N 2 2 398.504 -1.805 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910927709 1074482576 /nfs/dbraw/zinc/48/25/76/1074482576.db2.gz WSXCHCPPWHGWRJ-BBWFWOEESA-N 2 2 398.504 -1.805 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000910927711 1074482566 /nfs/dbraw/zinc/48/25/66/1074482566.db2.gz WSXCHCPPWHGWRJ-GVDBMIGSSA-N 2 2 398.504 -1.805 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910927711 1074482565 /nfs/dbraw/zinc/48/25/65/1074482565.db2.gz WSXCHCPPWHGWRJ-GVDBMIGSSA-N 2 2 398.504 -1.805 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000910927713 1074482496 /nfs/dbraw/zinc/48/24/96/1074482496.db2.gz WSXCHCPPWHGWRJ-ULQDDVLXSA-N 2 2 398.504 -1.805 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000910927713 1074482494 /nfs/dbraw/zinc/48/24/94/1074482494.db2.gz WSXCHCPPWHGWRJ-ULQDDVLXSA-N 2 2 398.504 -1.805 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000910927715 1074482612 /nfs/dbraw/zinc/48/26/12/1074482612.db2.gz WSXCHCPPWHGWRJ-YESZJQIVSA-N 2 2 398.504 -1.805 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000910927715 1074482610 /nfs/dbraw/zinc/48/26/10/1074482610.db2.gz WSXCHCPPWHGWRJ-YESZJQIVSA-N 2 2 398.504 -1.805 20 0 GAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000911013874 1074483174 /nfs/dbraw/zinc/48/31/74/1074483174.db2.gz DGGJEEGIAIOYHK-INIZCTEOSA-N 2 2 398.504 -1.179 20 0 GAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000911013875 1074483234 /nfs/dbraw/zinc/48/32/34/1074483234.db2.gz DGGJEEGIAIOYHK-MRXNPFEDSA-N 2 2 398.504 -1.179 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000911014812 1074483695 /nfs/dbraw/zinc/48/36/95/1074483695.db2.gz MFSNQOGLFVDBQX-HNNXBMFYSA-N 2 2 384.477 -1.569 20 0 GAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000911014813 1074483718 /nfs/dbraw/zinc/48/37/18/1074483718.db2.gz MFSNQOGLFVDBQX-OAHLLOKOSA-N 2 2 384.477 -1.569 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911029564 1074483884 /nfs/dbraw/zinc/48/38/84/1074483884.db2.gz CYSKLOSZPVHYPR-FGTMMUONSA-N 3 2 392.548 -1.224 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911029564 1074483876 /nfs/dbraw/zinc/48/38/76/1074483876.db2.gz CYSKLOSZPVHYPR-FGTMMUONSA-N 3 2 392.548 -1.224 20 0 GAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1 ZINC000911029564 1074483873 /nfs/dbraw/zinc/48/38/73/1074483873.db2.gz CYSKLOSZPVHYPR-FGTMMUONSA-N 3 2 392.548 -1.224 20 0 GAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1 ZINC000911029564 1074483864 /nfs/dbraw/zinc/48/38/64/1074483864.db2.gz CYSKLOSZPVHYPR-FGTMMUONSA-N 3 2 392.548 -1.224 20 0 GAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911029569 1074483941 /nfs/dbraw/zinc/48/39/41/1074483941.db2.gz CYSKLOSZPVHYPR-KSZLIROESA-N 3 2 392.548 -1.224 20 0 GAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911029569 1074483936 /nfs/dbraw/zinc/48/39/36/1074483936.db2.gz CYSKLOSZPVHYPR-KSZLIROESA-N 3 2 392.548 -1.224 20 0 GAADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1 ZINC000911029569 1074483931 /nfs/dbraw/zinc/48/39/31/1074483931.db2.gz CYSKLOSZPVHYPR-KSZLIROESA-N 3 2 392.548 -1.224 20 0 GAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C1CC[NH2+]CC1 ZINC000911029569 1074483926 /nfs/dbraw/zinc/48/39/26/1074483926.db2.gz CYSKLOSZPVHYPR-KSZLIROESA-N 3 2 392.548 -1.224 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000911067404 1074484982 /nfs/dbraw/zinc/48/49/82/1074484982.db2.gz ORPWNESNMQUMFB-INIZCTEOSA-N 2 2 390.488 -1.104 20 0 GAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000911067405 1074484923 /nfs/dbraw/zinc/48/49/23/1074484923.db2.gz ORPWNESNMQUMFB-MRXNPFEDSA-N 2 2 390.488 -1.104 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000911069530 1074485146 /nfs/dbraw/zinc/48/51/46/1074485146.db2.gz VFKOMEUCOWYFII-KRWDZBQOSA-N 2 2 382.553 -1.086 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)NCCN1CCC([NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000911069564 1074484976 /nfs/dbraw/zinc/48/49/76/1074484976.db2.gz VFKOMEUCOWYFII-QGZVFWFLSA-N 2 2 382.553 -1.086 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000911092249 1074485044 /nfs/dbraw/zinc/48/50/44/1074485044.db2.gz RLDXVIVQHVMJPX-INIZCTEOSA-N 2 2 390.488 -1.104 20 0 GAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000911092250 1074485032 /nfs/dbraw/zinc/48/50/32/1074485032.db2.gz RLDXVIVQHVMJPX-MRXNPFEDSA-N 2 2 390.488 -1.104 20 0 GAADLP C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)N2CCNCC[NH2+]CC2)CC1 ZINC000911093079 1074485094 /nfs/dbraw/zinc/48/50/94/1074485094.db2.gz VWMHTJMRQHNJOV-UHFFFAOYSA-N 2 2 389.504 -1.529 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000911111335 1074485148 /nfs/dbraw/zinc/48/51/48/1074485148.db2.gz FKSPGBLNFKYKMK-INIZCTEOSA-N 2 2 390.488 -1.104 20 0 GAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000911111337 1074485052 /nfs/dbraw/zinc/48/50/52/1074485052.db2.gz FKSPGBLNFKYKMK-MRXNPFEDSA-N 2 2 390.488 -1.104 20 0 GAADLP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C(=O)N1CCNCC[NH2+]CC1 ZINC000911336483 1074488058 /nfs/dbraw/zinc/48/80/58/1074488058.db2.gz JKHBOZXZJMPQCP-HZPDHXFCSA-N 2 2 379.505 -1.233 20 0 GAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000911368253 1074489612 /nfs/dbraw/zinc/48/96/12/1074489612.db2.gz PJDBRAQLCRHDSC-DLBZAZTESA-N 2 2 397.520 -1.654 20 0 GAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000911368253 1074489607 /nfs/dbraw/zinc/48/96/07/1074489607.db2.gz PJDBRAQLCRHDSC-DLBZAZTESA-N 2 2 397.520 -1.654 20 0 GAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000911368254 1074489584 /nfs/dbraw/zinc/48/95/84/1074489584.db2.gz PJDBRAQLCRHDSC-IAGOWNOFSA-N 2 2 397.520 -1.654 20 0 GAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000911368254 1074489573 /nfs/dbraw/zinc/48/95/73/1074489573.db2.gz PJDBRAQLCRHDSC-IAGOWNOFSA-N 2 2 397.520 -1.654 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000911368255 1074489675 /nfs/dbraw/zinc/48/96/75/1074489675.db2.gz PJDBRAQLCRHDSC-IRXDYDNUSA-N 2 2 397.520 -1.654 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000911368255 1074489669 /nfs/dbraw/zinc/48/96/69/1074489669.db2.gz PJDBRAQLCRHDSC-IRXDYDNUSA-N 2 2 397.520 -1.654 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000911368256 1074490500 /nfs/dbraw/zinc/49/05/00/1074490500.db2.gz PJDBRAQLCRHDSC-SJORKVTESA-N 2 2 397.520 -1.654 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000911368256 1074490494 /nfs/dbraw/zinc/49/04/94/1074490494.db2.gz PJDBRAQLCRHDSC-SJORKVTESA-N 2 2 397.520 -1.654 20 0 GAADLP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911369404 1074490530 /nfs/dbraw/zinc/49/05/30/1074490530.db2.gz ZEXZYPLSOASKBX-KRWDZBQOSA-N 2 2 396.536 -2.079 20 0 GAADLP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911369404 1074490525 /nfs/dbraw/zinc/49/05/25/1074490525.db2.gz ZEXZYPLSOASKBX-KRWDZBQOSA-N 2 2 396.536 -2.079 20 0 GAADLP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911369405 1074490469 /nfs/dbraw/zinc/49/04/69/1074490469.db2.gz ZEXZYPLSOASKBX-QGZVFWFLSA-N 2 2 396.536 -2.079 20 0 GAADLP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC000911369405 1074490450 /nfs/dbraw/zinc/49/04/50/1074490450.db2.gz ZEXZYPLSOASKBX-QGZVFWFLSA-N 2 2 396.536 -2.079 20 0 GAADLP CC1C[C@H](C(=O)N2CC[NH+](C)C[C@@H]2CO)[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CO)C1 ZINC000912740045 1074499432 /nfs/dbraw/zinc/49/94/32/1074499432.db2.gz NKPZIRPMVRJWBA-BDXSIMOUSA-N 2 2 396.532 -1.082 20 0 GAADLP CC1C[C@H](C(=O)N2CC[NH+](C)C[C@@H]2CO)[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2CO)C1 ZINC000912740045 1074499424 /nfs/dbraw/zinc/49/94/24/1074499424.db2.gz NKPZIRPMVRJWBA-BDXSIMOUSA-N 2 2 396.532 -1.082 20 0 GAADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[N@H+](C)C[C@H]2CO)[C@H](CO)C1 ZINC000912750467 1074499507 /nfs/dbraw/zinc/49/95/07/1074499507.db2.gz DATLPBLQFOMDFI-MWDXBVQZSA-N 2 2 382.505 -1.328 20 0 GAADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[N@@H+](C)C[C@H]2CO)[C@H](CO)C1 ZINC000912750467 1074499498 /nfs/dbraw/zinc/49/94/98/1074499498.db2.gz DATLPBLQFOMDFI-MWDXBVQZSA-N 2 2 382.505 -1.328 20 0 GAADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[N@H+](C)C[C@@H]2CO)[C@@H](CO)C1 ZINC000912750468 1074500262 /nfs/dbraw/zinc/50/02/62/1074500262.db2.gz DATLPBLQFOMDFI-QBPKDAKJSA-N 2 2 382.505 -1.328 20 0 GAADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]2C(=O)N2CC[N@@H+](C)C[C@@H]2CO)[C@@H](CO)C1 ZINC000912750468 1074500259 /nfs/dbraw/zinc/50/02/59/1074500259.db2.gz DATLPBLQFOMDFI-QBPKDAKJSA-N 2 2 382.505 -1.328 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN4[C@H](CNS4(=O)=O)C3)C2)CC1 ZINC000918905515 1074661501 /nfs/dbraw/zinc/66/15/01/1074661501.db2.gz GQSBPJTZBWGTAD-DZGCQCFKSA-N 2 2 386.522 -1.301 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN4[C@H](CNS4(=O)=O)C3)C2)CC1 ZINC000918905515 1074661497 /nfs/dbraw/zinc/66/14/97/1074661497.db2.gz GQSBPJTZBWGTAD-DZGCQCFKSA-N 2 2 386.522 -1.301 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)C2)CC1 ZINC000918905516 1074661727 /nfs/dbraw/zinc/66/17/27/1074661727.db2.gz GQSBPJTZBWGTAD-HIFRSBDPSA-N 2 2 386.522 -1.301 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)C2)CC1 ZINC000918905516 1074661715 /nfs/dbraw/zinc/66/17/15/1074661715.db2.gz GQSBPJTZBWGTAD-HIFRSBDPSA-N 2 2 386.522 -1.301 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN4[C@H](CNS4(=O)=O)C3)C2)CC1 ZINC000918905517 1074661656 /nfs/dbraw/zinc/66/16/56/1074661656.db2.gz GQSBPJTZBWGTAD-UKRRQHHQSA-N 2 2 386.522 -1.301 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN4[C@H](CNS4(=O)=O)C3)C2)CC1 ZINC000918905517 1074661649 /nfs/dbraw/zinc/66/16/49/1074661649.db2.gz GQSBPJTZBWGTAD-UKRRQHHQSA-N 2 2 386.522 -1.301 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)C2)CC1 ZINC000918905518 1074661600 /nfs/dbraw/zinc/66/16/00/1074661600.db2.gz GQSBPJTZBWGTAD-ZFWWWQNUSA-N 2 2 386.522 -1.301 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)C2)CC1 ZINC000918905518 1074661598 /nfs/dbraw/zinc/66/15/98/1074661598.db2.gz GQSBPJTZBWGTAD-ZFWWWQNUSA-N 2 2 386.522 -1.301 20 0 GAADLP CN(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)CCCN1CC[NH+](C)CC1 ZINC000919312024 637371877 /nfs/dbraw/zinc/37/18/77/637371877.db2.gz GPPGLWGXMSPGRZ-UHFFFAOYSA-N 2 2 375.539 -1.341 20 0 GAADLP O=C(CCNS(=O)(=O)N1CC[NH2+]CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000923600650 1074914522 /nfs/dbraw/zinc/91/45/22/1074914522.db2.gz ARZLCXMIFFFPPO-UHFFFAOYSA-N 2 2 382.490 -1.140 20 0 GAADLP C[C@@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000925315031 1074333469 /nfs/dbraw/zinc/33/34/69/1074333469.db2.gz GUGWZTFDVUVQCH-CABCVRRESA-N 2 2 388.538 -1.102 20 0 GAADLP C[C@@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000925315031 1074333461 /nfs/dbraw/zinc/33/34/61/1074333461.db2.gz GUGWZTFDVUVQCH-CABCVRRESA-N 2 2 388.538 -1.102 20 0 GAADLP C[C@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000925315032 1074333310 /nfs/dbraw/zinc/33/33/10/1074333310.db2.gz GUGWZTFDVUVQCH-GJZGRUSLSA-N 2 2 388.538 -1.102 20 0 GAADLP C[C@H]1[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000925315032 1074333302 /nfs/dbraw/zinc/33/33/02/1074333302.db2.gz GUGWZTFDVUVQCH-GJZGRUSLSA-N 2 2 388.538 -1.102 20 0 GAADLP C[C@@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000925315033 1074333788 /nfs/dbraw/zinc/33/37/88/1074333788.db2.gz GUGWZTFDVUVQCH-HUUCEWRRSA-N 2 2 388.538 -1.102 20 0 GAADLP C[C@@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000925315033 1074333781 /nfs/dbraw/zinc/33/37/81/1074333781.db2.gz GUGWZTFDVUVQCH-HUUCEWRRSA-N 2 2 388.538 -1.102 20 0 GAADLP C[C@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000925315034 1074333931 /nfs/dbraw/zinc/33/39/31/1074333931.db2.gz GUGWZTFDVUVQCH-LSDHHAIUSA-N 2 2 388.538 -1.102 20 0 GAADLP C[C@H]1[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000925315034 1074333924 /nfs/dbraw/zinc/33/39/24/1074333924.db2.gz GUGWZTFDVUVQCH-LSDHHAIUSA-N 2 2 388.538 -1.102 20 0 GAADLP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000926331747 1075699433 /nfs/dbraw/zinc/69/94/33/1075699433.db2.gz PKDNBZUFOAALJS-APWZRJJASA-N 3 2 381.521 -1.075 20 0 GAADLP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000926331747 1075699429 /nfs/dbraw/zinc/69/94/29/1075699429.db2.gz PKDNBZUFOAALJS-APWZRJJASA-N 3 2 381.521 -1.075 20 0 GAADLP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000926332148 1075699934 /nfs/dbraw/zinc/69/99/34/1075699934.db2.gz PKDNBZUFOAALJS-LPHOPBHVSA-N 3 2 381.521 -1.075 20 0 GAADLP CN(C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000926332148 1075699933 /nfs/dbraw/zinc/69/99/33/1075699933.db2.gz PKDNBZUFOAALJS-LPHOPBHVSA-N 3 2 381.521 -1.075 20 0 GAADLP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000926332149 1075699863 /nfs/dbraw/zinc/69/98/63/1075699863.db2.gz PKDNBZUFOAALJS-QFBILLFUSA-N 3 2 381.521 -1.075 20 0 GAADLP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000926332149 1075699861 /nfs/dbraw/zinc/69/98/61/1075699861.db2.gz PKDNBZUFOAALJS-QFBILLFUSA-N 3 2 381.521 -1.075 20 0 GAADLP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000926332150 1075699890 /nfs/dbraw/zinc/69/98/90/1075699890.db2.gz PKDNBZUFOAALJS-VQIMIIECSA-N 3 2 381.521 -1.075 20 0 GAADLP CN(C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000926332150 1075699889 /nfs/dbraw/zinc/69/98/89/1075699889.db2.gz PKDNBZUFOAALJS-VQIMIIECSA-N 3 2 381.521 -1.075 20 0 GAADLP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000929313140 1075707098 /nfs/dbraw/zinc/70/70/98/1075707098.db2.gz ZEZTZZFXFOIBJQ-HNNXBMFYSA-N 2 2 375.477 -1.075 20 0 GAADLP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000929313140 1075707093 /nfs/dbraw/zinc/70/70/93/1075707093.db2.gz ZEZTZZFXFOIBJQ-HNNXBMFYSA-N 2 2 375.477 -1.075 20 0 GAADLP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000929313141 1075707026 /nfs/dbraw/zinc/70/70/26/1075707026.db2.gz ZEZTZZFXFOIBJQ-OAHLLOKOSA-N 2 2 375.477 -1.075 20 0 GAADLP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000929313141 1075707024 /nfs/dbraw/zinc/70/70/24/1075707024.db2.gz ZEZTZZFXFOIBJQ-OAHLLOKOSA-N 2 2 375.477 -1.075 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000929395408 1075707398 /nfs/dbraw/zinc/70/73/98/1075707398.db2.gz RJMCJKAPZLQOQE-CABCVRRESA-N 2 2 397.545 -1.037 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000929395408 1075707390 /nfs/dbraw/zinc/70/73/90/1075707390.db2.gz RJMCJKAPZLQOQE-CABCVRRESA-N 2 2 397.545 -1.037 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000929395412 1075707540 /nfs/dbraw/zinc/70/75/40/1075707540.db2.gz RJMCJKAPZLQOQE-GJZGRUSLSA-N 2 2 397.545 -1.037 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000929395412 1075707536 /nfs/dbraw/zinc/70/75/36/1075707536.db2.gz RJMCJKAPZLQOQE-GJZGRUSLSA-N 2 2 397.545 -1.037 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000929395416 1075707874 /nfs/dbraw/zinc/70/78/74/1075707874.db2.gz RJMCJKAPZLQOQE-HUUCEWRRSA-N 2 2 397.545 -1.037 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000929395416 1075707868 /nfs/dbraw/zinc/70/78/68/1075707868.db2.gz RJMCJKAPZLQOQE-HUUCEWRRSA-N 2 2 397.545 -1.037 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000929395420 1075707990 /nfs/dbraw/zinc/70/79/90/1075707990.db2.gz RJMCJKAPZLQOQE-LSDHHAIUSA-N 2 2 397.545 -1.037 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000929395420 1075707983 /nfs/dbraw/zinc/70/79/83/1075707983.db2.gz RJMCJKAPZLQOQE-LSDHHAIUSA-N 2 2 397.545 -1.037 20 0 GAADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000931611041 1075715254 /nfs/dbraw/zinc/71/52/54/1075715254.db2.gz SEQRSCLUCCODOH-INIZCTEOSA-N 2 2 379.461 -1.085 20 0 GAADLP CN(C)c1cc[nH+]c(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000931611052 1075715229 /nfs/dbraw/zinc/71/52/29/1075715229.db2.gz SEQRSCLUCCODOH-MRXNPFEDSA-N 2 2 379.461 -1.085 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000932125639 1075717303 /nfs/dbraw/zinc/71/73/03/1075717303.db2.gz CJTTUFKTKAYBSF-LUKYLMHMSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000932125660 1075717262 /nfs/dbraw/zinc/71/72/62/1075717262.db2.gz CJTTUFKTKAYBSF-VQHPVUNQSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000932125663 1075717382 /nfs/dbraw/zinc/71/73/82/1075717382.db2.gz CJTTUFKTKAYBSF-WNKDZCFJSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000932125668 1075717758 /nfs/dbraw/zinc/71/77/58/1075717758.db2.gz CJTTUFKTKAYBSF-ZYGGUILKSA-N 2 2 382.505 -1.328 20 0 GAADLP CN(C(=O)C[C@@H]1CC(=O)NC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000932145047 1075717681 /nfs/dbraw/zinc/71/76/81/1075717681.db2.gz MIKOJYMEWXOXCC-AWEZNQCLSA-N 2 2 393.488 -1.264 20 0 GAADLP CN(C(=O)C[C@H]1CC(=O)NC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000932145048 1075717600 /nfs/dbraw/zinc/71/76/00/1075717600.db2.gz MIKOJYMEWXOXCC-CQSZACIVSA-N 2 2 393.488 -1.264 20 0 GAADLP CN(C(=O)[C@@H]1CSCC(=O)N1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000932145101 1075717713 /nfs/dbraw/zinc/71/77/13/1075717713.db2.gz OGIAWJPEJWGTPP-HNNXBMFYSA-N 2 2 397.545 -1.085 20 0 GAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000932525918 1075718845 /nfs/dbraw/zinc/71/88/45/1075718845.db2.gz IURZIBKYBZRXLQ-LUKYLMHMSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000932525918 1075718841 /nfs/dbraw/zinc/71/88/41/1075718841.db2.gz IURZIBKYBZRXLQ-LUKYLMHMSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000932525918 1075718837 /nfs/dbraw/zinc/71/88/37/1075718837.db2.gz IURZIBKYBZRXLQ-LUKYLMHMSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000932525918 1075718834 /nfs/dbraw/zinc/71/88/34/1075718834.db2.gz IURZIBKYBZRXLQ-LUKYLMHMSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000932525925 1075718779 /nfs/dbraw/zinc/71/87/79/1075718779.db2.gz IURZIBKYBZRXLQ-VQHPVUNQSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000932525925 1075718778 /nfs/dbraw/zinc/71/87/78/1075718778.db2.gz IURZIBKYBZRXLQ-VQHPVUNQSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000932525925 1075718773 /nfs/dbraw/zinc/71/87/73/1075718773.db2.gz IURZIBKYBZRXLQ-VQHPVUNQSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000932525925 1075718771 /nfs/dbraw/zinc/71/87/71/1075718771.db2.gz IURZIBKYBZRXLQ-VQHPVUNQSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000932525927 1075718703 /nfs/dbraw/zinc/71/87/03/1075718703.db2.gz IURZIBKYBZRXLQ-WNKDZCFJSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000932525927 1075718698 /nfs/dbraw/zinc/71/86/98/1075718698.db2.gz IURZIBKYBZRXLQ-WNKDZCFJSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000932525927 1075718692 /nfs/dbraw/zinc/71/86/92/1075718692.db2.gz IURZIBKYBZRXLQ-WNKDZCFJSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000932525927 1075718685 /nfs/dbraw/zinc/71/86/85/1075718685.db2.gz IURZIBKYBZRXLQ-WNKDZCFJSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000932525929 1075718661 /nfs/dbraw/zinc/71/86/61/1075718661.db2.gz IURZIBKYBZRXLQ-ZYGGUILKSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000932525929 1075718656 /nfs/dbraw/zinc/71/86/56/1075718656.db2.gz IURZIBKYBZRXLQ-ZYGGUILKSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000932525929 1075718650 /nfs/dbraw/zinc/71/86/50/1075718650.db2.gz IURZIBKYBZRXLQ-ZYGGUILKSA-N 2 2 380.537 -1.654 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000932525929 1075718641 /nfs/dbraw/zinc/71/86/41/1075718641.db2.gz IURZIBKYBZRXLQ-ZYGGUILKSA-N 2 2 380.537 -1.654 20 0 GAADLP C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932577166 1075718823 /nfs/dbraw/zinc/71/88/23/1075718823.db2.gz MPMVLNTUVHMVQS-DZGCQCFKSA-N 2 2 378.481 -1.195 20 0 GAADLP C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932577166 1075718817 /nfs/dbraw/zinc/71/88/17/1075718817.db2.gz MPMVLNTUVHMVQS-DZGCQCFKSA-N 2 2 378.481 -1.195 20 0 GAADLP C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932577173 1075718754 /nfs/dbraw/zinc/71/87/54/1075718754.db2.gz MPMVLNTUVHMVQS-HIFRSBDPSA-N 2 2 378.481 -1.195 20 0 GAADLP C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932577173 1075718750 /nfs/dbraw/zinc/71/87/50/1075718750.db2.gz MPMVLNTUVHMVQS-HIFRSBDPSA-N 2 2 378.481 -1.195 20 0 GAADLP C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932577174 1075718868 /nfs/dbraw/zinc/71/88/68/1075718868.db2.gz MPMVLNTUVHMVQS-UKRRQHHQSA-N 2 2 378.481 -1.195 20 0 GAADLP C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932577174 1075718864 /nfs/dbraw/zinc/71/88/64/1075718864.db2.gz MPMVLNTUVHMVQS-UKRRQHHQSA-N 2 2 378.481 -1.195 20 0 GAADLP C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932577180 1075718617 /nfs/dbraw/zinc/71/86/17/1075718617.db2.gz MPMVLNTUVHMVQS-ZFWWWQNUSA-N 2 2 378.481 -1.195 20 0 GAADLP C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932577180 1075718611 /nfs/dbraw/zinc/71/86/11/1075718611.db2.gz MPMVLNTUVHMVQS-ZFWWWQNUSA-N 2 2 378.481 -1.195 20 0 GAADLP C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000935499682 1075725889 /nfs/dbraw/zinc/72/58/89/1075725889.db2.gz OPIZUORYAYBPFR-LUKYLMHMSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000935499682 1075725886 /nfs/dbraw/zinc/72/58/86/1075725886.db2.gz OPIZUORYAYBPFR-LUKYLMHMSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000935499682 1075725884 /nfs/dbraw/zinc/72/58/84/1075725884.db2.gz OPIZUORYAYBPFR-LUKYLMHMSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000935499682 1075725882 /nfs/dbraw/zinc/72/58/82/1075725882.db2.gz OPIZUORYAYBPFR-LUKYLMHMSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000935499685 1075725867 /nfs/dbraw/zinc/72/58/67/1075725867.db2.gz OPIZUORYAYBPFR-VQHPVUNQSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000935499685 1075725863 /nfs/dbraw/zinc/72/58/63/1075725863.db2.gz OPIZUORYAYBPFR-VQHPVUNQSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000935499685 1075725858 /nfs/dbraw/zinc/72/58/58/1075725858.db2.gz OPIZUORYAYBPFR-VQHPVUNQSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CC[N@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000935499685 1075725854 /nfs/dbraw/zinc/72/58/54/1075725854.db2.gz OPIZUORYAYBPFR-VQHPVUNQSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@H+]1CCO ZINC000935499686 1075725731 /nfs/dbraw/zinc/72/57/31/1075725731.db2.gz OPIZUORYAYBPFR-WNKDZCFJSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@@H+]1CCO ZINC000935499686 1075725728 /nfs/dbraw/zinc/72/57/28/1075725728.db2.gz OPIZUORYAYBPFR-WNKDZCFJSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000935499686 1075725725 /nfs/dbraw/zinc/72/57/25/1075725725.db2.gz OPIZUORYAYBPFR-WNKDZCFJSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000935499686 1075725719 /nfs/dbraw/zinc/72/57/19/1075725719.db2.gz OPIZUORYAYBPFR-WNKDZCFJSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@H+]1CCO ZINC000935499687 1075725685 /nfs/dbraw/zinc/72/56/85/1075725685.db2.gz OPIZUORYAYBPFR-ZYGGUILKSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N2CC[NH+](CCO)[C@@H](C)C2)CC[N@@H+]1CCO ZINC000935499687 1075725679 /nfs/dbraw/zinc/72/56/79/1075725679.db2.gz OPIZUORYAYBPFR-ZYGGUILKSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000935499687 1075725674 /nfs/dbraw/zinc/72/56/74/1075725674.db2.gz OPIZUORYAYBPFR-ZYGGUILKSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000935499687 1075725667 /nfs/dbraw/zinc/72/56/67/1075725667.db2.gz OPIZUORYAYBPFR-ZYGGUILKSA-N 2 2 382.505 -1.328 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2O)O1 ZINC000968410582 1075877437 /nfs/dbraw/zinc/87/74/37/1075877437.db2.gz GDEHEOHXAFXYOC-LVQVYYBASA-N 2 2 384.477 -1.884 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2O)O1 ZINC000968410582 1075877432 /nfs/dbraw/zinc/87/74/32/1075877432.db2.gz GDEHEOHXAFXYOC-LVQVYYBASA-N 2 2 384.477 -1.884 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]32)O1 ZINC000976755066 1073905041 /nfs/dbraw/zinc/90/50/41/1073905041.db2.gz HWBJYTXFYSTXKY-QWEMONOLSA-N 2 2 380.489 -1.002 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]32)O1 ZINC000976755066 1073905035 /nfs/dbraw/zinc/90/50/35/1073905035.db2.gz HWBJYTXFYSTXKY-QWEMONOLSA-N 2 2 380.489 -1.002 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)O1 ZINC000976755066 1073905026 /nfs/dbraw/zinc/90/50/26/1073905026.db2.gz HWBJYTXFYSTXKY-QWEMONOLSA-N 2 2 380.489 -1.002 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)O1 ZINC000976755066 1073905020 /nfs/dbraw/zinc/90/50/20/1073905020.db2.gz HWBJYTXFYSTXKY-QWEMONOLSA-N 2 2 380.489 -1.002 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2O)O1 ZINC001024386952 1073705960 /nfs/dbraw/zinc/70/59/60/1073705960.db2.gz GDEHEOHXAFXYOC-KLHDSHLOSA-N 2 2 384.477 -1.884 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2O)O1 ZINC001024386952 1073705953 /nfs/dbraw/zinc/70/59/53/1073705953.db2.gz GDEHEOHXAFXYOC-KLHDSHLOSA-N 2 2 384.477 -1.884 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)O1 ZINC001043678307 1073409104 /nfs/dbraw/zinc/40/91/04/1073409104.db2.gz FTWRWHLQGZCHGK-KBUPBQIOSA-N 2 2 384.477 -1.886 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)O1 ZINC001043678307 1073409099 /nfs/dbraw/zinc/40/90/99/1073409099.db2.gz FTWRWHLQGZCHGK-KBUPBQIOSA-N 2 2 384.477 -1.886 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)O1 ZINC001043678307 1073409090 /nfs/dbraw/zinc/40/90/90/1073409090.db2.gz FTWRWHLQGZCHGK-KBUPBQIOSA-N 2 2 384.477 -1.886 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)O1 ZINC001043678307 1073409085 /nfs/dbraw/zinc/40/90/85/1073409085.db2.gz FTWRWHLQGZCHGK-KBUPBQIOSA-N 2 2 384.477 -1.886 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)O1 ZINC001043679576 1073409791 /nfs/dbraw/zinc/40/97/91/1073409791.db2.gz LIOWJSAEQOXTGU-IXYNUQLISA-N 2 2 391.472 -1.068 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)O1 ZINC001043679576 1073409781 /nfs/dbraw/zinc/40/97/81/1073409781.db2.gz LIOWJSAEQOXTGU-IXYNUQLISA-N 2 2 391.472 -1.068 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)O1 ZINC001046804723 1073436093 /nfs/dbraw/zinc/43/60/93/1073436093.db2.gz VMGFLDIMLGUEQI-IXYNUQLISA-N 2 2 391.472 -1.068 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)O1 ZINC001046804723 1073436085 /nfs/dbraw/zinc/43/60/85/1073436085.db2.gz VMGFLDIMLGUEQI-IXYNUQLISA-N 2 2 391.472 -1.068 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)O1 ZINC001057974120 1073507681 /nfs/dbraw/zinc/50/76/81/1073507681.db2.gz KMKCKHOEFJBFEO-KLHDSHLOSA-N 2 2 386.493 -1.638 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)O1 ZINC001057974120 1073507670 /nfs/dbraw/zinc/50/76/70/1073507670.db2.gz KMKCKHOEFJBFEO-KLHDSHLOSA-N 2 2 386.493 -1.638 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)O1 ZINC001057974120 1073507656 /nfs/dbraw/zinc/50/76/56/1073507656.db2.gz KMKCKHOEFJBFEO-KLHDSHLOSA-N 2 2 386.493 -1.638 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)O1 ZINC001057974120 1073507643 /nfs/dbraw/zinc/50/76/43/1073507643.db2.gz KMKCKHOEFJBFEO-KLHDSHLOSA-N 2 2 386.493 -1.638 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2n2ccnn2)O1 ZINC001069958975 1073522902 /nfs/dbraw/zinc/52/29/02/1073522902.db2.gz WUAODFCWTMUAOX-LVQVYYBASA-N 2 2 389.464 -1.370 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2n2ccnn2)O1 ZINC001069958975 1073522888 /nfs/dbraw/zinc/52/28/88/1073522888.db2.gz WUAODFCWTMUAOX-LVQVYYBASA-N 2 2 389.464 -1.370 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2n2ccnn2)O1 ZINC001069958975 1073522878 /nfs/dbraw/zinc/52/28/78/1073522878.db2.gz WUAODFCWTMUAOX-LVQVYYBASA-N 2 2 389.464 -1.370 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cncn3)C[C@@H]2n2ccnn2)O1 ZINC001069958975 1073522870 /nfs/dbraw/zinc/52/28/70/1073522870.db2.gz WUAODFCWTMUAOX-LVQVYYBASA-N 2 2 389.464 -1.370 20 0 GAADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001070196774 1073531216 /nfs/dbraw/zinc/53/12/16/1073531216.db2.gz KWBCSSSLJSHNRP-SYQHCUMBSA-N 2 2 389.464 -1.418 20 0 GAADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001070196774 1073531204 /nfs/dbraw/zinc/53/12/04/1073531204.db2.gz KWBCSSSLJSHNRP-SYQHCUMBSA-N 2 2 389.464 -1.418 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cnnn3C)[C@@H](n3ccnn3)C2)O1 ZINC001070217397 1073531833 /nfs/dbraw/zinc/53/18/33/1073531833.db2.gz CLIVATLIOFIGAY-DMRZNYOFSA-N 2 2 389.464 -1.333 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cnnn3C)[C@@H](n3ccnn3)C2)O1 ZINC001070217397 1073531825 /nfs/dbraw/zinc/53/18/25/1073531825.db2.gz CLIVATLIOFIGAY-DMRZNYOFSA-N 2 2 389.464 -1.333 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)[C@@H](n3ccnn3)C2)O1 ZINC001070217553 1073531787 /nfs/dbraw/zinc/53/17/87/1073531787.db2.gz HZMZMXSZTGLWNA-LVQVYYBASA-N 2 2 391.476 -1.429 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)[C@@H](n3ccnn3)C2)O1 ZINC001070217553 1073531783 /nfs/dbraw/zinc/53/17/83/1073531783.db2.gz HZMZMXSZTGLWNA-LVQVYYBASA-N 2 2 391.476 -1.429 20 0 GAADLP CN(C)C(=O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015492 1074439740 /nfs/dbraw/zinc/43/97/40/1074439740.db2.gz ZIYQTFACNANAPS-KONPQCLYSA-N 2 2 382.505 -1.017 20 0 GAADLP CN(C)C(=O)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015492 1074439734 /nfs/dbraw/zinc/43/97/34/1074439734.db2.gz ZIYQTFACNANAPS-KONPQCLYSA-N 2 2 382.505 -1.017 20 0 GAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]2O)CC[NH+]1C ZINC001077024499 1074440368 /nfs/dbraw/zinc/44/03/68/1074440368.db2.gz AESRDFVOGHWELG-NMFUWQPSSA-N 2 2 379.461 -1.915 20 0 GAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]2O)CC[NH+]1C ZINC001077024499 1074440366 /nfs/dbraw/zinc/44/03/66/1074440366.db2.gz AESRDFVOGHWELG-NMFUWQPSSA-N 2 2 379.461 -1.915 20 0 GAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]2O)CC[N@H+]1C ZINC001077024499 1074440361 /nfs/dbraw/zinc/44/03/61/1074440361.db2.gz AESRDFVOGHWELG-NMFUWQPSSA-N 2 2 379.461 -1.915 20 0 GAADLP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]2O)CC[N@@H+]1C ZINC001077024499 1074440358 /nfs/dbraw/zinc/44/03/58/1074440358.db2.gz AESRDFVOGHWELG-NMFUWQPSSA-N 2 2 379.461 -1.915 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001077027272 1074440405 /nfs/dbraw/zinc/44/04/05/1074440405.db2.gz FPFJQGLUGPIDHW-ZJIFWQFVSA-N 2 2 388.534 -1.087 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001077027272 1074440400 /nfs/dbraw/zinc/44/04/00/1074440400.db2.gz FPFJQGLUGPIDHW-ZJIFWQFVSA-N 2 2 388.534 -1.087 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]2O)CC[N@H+]1C ZINC001077027272 1074440398 /nfs/dbraw/zinc/44/03/98/1074440398.db2.gz FPFJQGLUGPIDHW-ZJIFWQFVSA-N 2 2 388.534 -1.087 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]2O)CC[N@@H+]1C ZINC001077027272 1074440395 /nfs/dbraw/zinc/44/03/95/1074440395.db2.gz FPFJQGLUGPIDHW-ZJIFWQFVSA-N 2 2 388.534 -1.087 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]2O)CC[NH+]1C ZINC001077028827 1074440523 /nfs/dbraw/zinc/44/05/23/1074440523.db2.gz MEKRUBIHLLZKCN-ZJIFWQFVSA-N 2 2 393.488 -1.524 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]2O)CC[NH+]1C ZINC001077028827 1074440519 /nfs/dbraw/zinc/44/05/19/1074440519.db2.gz MEKRUBIHLLZKCN-ZJIFWQFVSA-N 2 2 393.488 -1.524 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]2O)CC[N@H+]1C ZINC001077028827 1074440513 /nfs/dbraw/zinc/44/05/13/1074440513.db2.gz MEKRUBIHLLZKCN-ZJIFWQFVSA-N 2 2 393.488 -1.524 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(=O)n(C)c(=O)n3C)C[C@H]2O)CC[N@@H+]1C ZINC001077028827 1074440510 /nfs/dbraw/zinc/44/05/10/1074440510.db2.gz MEKRUBIHLLZKCN-ZJIFWQFVSA-N 2 2 393.488 -1.524 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]2O)O1 ZINC001077221154 1074444758 /nfs/dbraw/zinc/44/47/58/1074444758.db2.gz DFDUJMGIEPYZJK-AAVRWANBSA-N 2 2 383.449 -2.191 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]2O)O1 ZINC001077221154 1074444754 /nfs/dbraw/zinc/44/47/54/1074444754.db2.gz DFDUJMGIEPYZJK-AAVRWANBSA-N 2 2 383.449 -2.191 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@H]2O)O1 ZINC001077221154 1074444750 /nfs/dbraw/zinc/44/47/50/1074444750.db2.gz DFDUJMGIEPYZJK-AAVRWANBSA-N 2 2 383.449 -2.191 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@H]2O)O1 ZINC001077221154 1074444745 /nfs/dbraw/zinc/44/47/45/1074444745.db2.gz DFDUJMGIEPYZJK-AAVRWANBSA-N 2 2 383.449 -2.191 20 0 GAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001077697986 1074749517 /nfs/dbraw/zinc/74/95/17/1074749517.db2.gz LGGQFQGCMIXRAE-RGCMKSIDSA-N 2 2 390.444 -1.373 20 0 GAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001077697986 1074749509 /nfs/dbraw/zinc/74/95/09/1074749509.db2.gz LGGQFQGCMIXRAE-RGCMKSIDSA-N 2 2 390.444 -1.373 20 0 GAADLP C[C@@H]1C[NH+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079952588 1074893556 /nfs/dbraw/zinc/89/35/56/1074893556.db2.gz KVRNAFRUXRHYTJ-RRCSTGOVSA-N 2 2 393.488 -1.260 20 0 GAADLP C[C@@H]1C[NH+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079952588 1074893554 /nfs/dbraw/zinc/89/35/54/1074893554.db2.gz KVRNAFRUXRHYTJ-RRCSTGOVSA-N 2 2 393.488 -1.260 20 0 GAADLP C[C@@H]1C[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079952588 1074893552 /nfs/dbraw/zinc/89/35/52/1074893552.db2.gz KVRNAFRUXRHYTJ-RRCSTGOVSA-N 2 2 393.488 -1.260 20 0 GAADLP C[C@@H]1C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079952588 1074893549 /nfs/dbraw/zinc/89/35/49/1074893549.db2.gz KVRNAFRUXRHYTJ-RRCSTGOVSA-N 2 2 393.488 -1.260 20 0 GAADLP CO[C@@H]1C[NH+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694398 1074895810 /nfs/dbraw/zinc/89/58/10/1074895810.db2.gz AFGXQWZXIWNTIQ-DTZQCDIJSA-N 2 2 393.488 -1.260 20 0 GAADLP CO[C@@H]1C[NH+](Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694398 1074895806 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CO[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848287 1074896281 /nfs/dbraw/zinc/89/62/81/1074896281.db2.gz WXWDRUGEARENAR-KBUPBQIOSA-N 2 2 382.461 -1.330 20 0 GAADLP CO[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848287 1074896274 /nfs/dbraw/zinc/89/62/74/1074896274.db2.gz WXWDRUGEARENAR-KBUPBQIOSA-N 2 2 382.461 -1.330 20 0 GAADLP CO[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081848314 1074896168 /nfs/dbraw/zinc/89/61/68/1074896168.db2.gz YBSCDJOPXAJNGD-AAVRWANBSA-N 2 2 383.449 -1.927 20 0 GAADLP CO[C@@H]1C[NH+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081848314 1074896162 /nfs/dbraw/zinc/89/61/62/1074896162.db2.gz YBSCDJOPXAJNGD-AAVRWANBSA-N 2 2 383.449 -1.927 20 0 GAADLP CO[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081848314 1074896159 /nfs/dbraw/zinc/89/61/59/1074896159.db2.gz YBSCDJOPXAJNGD-AAVRWANBSA-N 2 2 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2 388.534 -1.087 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@@H]2O)CC[N@@H+]1C ZINC001083474889 1074368810 /nfs/dbraw/zinc/36/88/10/1074368810.db2.gz FPFJQGLUGPIDHW-JJXSEGSLSA-N 2 2 388.534 -1.087 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@@H]2O)O1 ZINC001083565153 1074441803 /nfs/dbraw/zinc/44/18/03/1074441803.db2.gz DFDUJMGIEPYZJK-YIYPIFLZSA-N 2 2 383.449 -2.191 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@@H]2O)O1 ZINC001083565153 1074441801 /nfs/dbraw/zinc/44/18/01/1074441801.db2.gz DFDUJMGIEPYZJK-YIYPIFLZSA-N 2 2 383.449 -2.191 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@@H]2O)O1 ZINC001083565153 1074441795 /nfs/dbraw/zinc/44/17/95/1074441795.db2.gz DFDUJMGIEPYZJK-YIYPIFLZSA-N 2 2 383.449 -2.191 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@@H]2O)O1 ZINC001083565153 1074441791 /nfs/dbraw/zinc/44/17/91/1074441791.db2.gz 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ZINC001084447309 1074900163 /nfs/dbraw/zinc/90/01/63/1074900163.db2.gz IAGFPXMBSCVHTN-KBUPBQIOSA-N 2 2 379.461 -1.210 20 0 GAADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087062749 1075086563 /nfs/dbraw/zinc/08/65/63/1075086563.db2.gz SQMMUMOOUOPXSX-KBUPBQIOSA-N 2 2 381.481 -1.118 20 0 GAADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1nnnn1C ZINC001087062749 1075086559 /nfs/dbraw/zinc/08/65/59/1075086559.db2.gz SQMMUMOOUOPXSX-KBUPBQIOSA-N 2 2 381.481 -1.118 20 0 GAADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001087062805 1075086524 /nfs/dbraw/zinc/08/65/24/1075086524.db2.gz WCYYRMOYCGFTCX-KBUPBQIOSA-N 2 2 381.481 -1.118 20 0 GAADLP CCO[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1nnn(C)n1 ZINC001087062805 1075086520 /nfs/dbraw/zinc/08/65/20/1075086520.db2.gz WCYYRMOYCGFTCX-KBUPBQIOSA-N 2 2 381.481 -1.118 20 0 GAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001088658683 1074332980 /nfs/dbraw/zinc/33/29/80/1074332980.db2.gz PHIXAYPWTSXWOS-LUYZLQTOSA-N 2 2 393.488 -1.118 20 0 GAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001088658683 1074332969 /nfs/dbraw/zinc/33/29/69/1074332969.db2.gz PHIXAYPWTSXWOS-LUYZLQTOSA-N 2 2 393.488 -1.118 20 0 GAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001088658683 1074332961 /nfs/dbraw/zinc/33/29/61/1074332961.db2.gz PHIXAYPWTSXWOS-LUYZLQTOSA-N 2 2 393.488 -1.118 20 0 GAADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC001088658683 1074332953 /nfs/dbraw/zinc/33/29/53/1074332953.db2.gz PHIXAYPWTSXWOS-LUYZLQTOSA-N 2 2 393.488 -1.118 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCN2C(=O)CNC2=O)C1 ZINC001095267420 1075095126 /nfs/dbraw/zinc/09/51/26/1075095126.db2.gz AMHIHQOELFAUDO-CBBWQLFWSA-N 2 2 379.461 -1.020 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2C(=O)CNC2=O)C1 ZINC001095267420 1075095122 /nfs/dbraw/zinc/09/51/22/1075095122.db2.gz AMHIHQOELFAUDO-CBBWQLFWSA-N 2 2 379.461 -1.020 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2C(=O)CNC2=O)C1 ZINC001095267420 1075095117 /nfs/dbraw/zinc/09/51/17/1075095117.db2.gz AMHIHQOELFAUDO-CBBWQLFWSA-N 2 2 379.461 -1.020 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2C(=O)CNC2=O)C1 ZINC001095267420 1075095112 /nfs/dbraw/zinc/09/51/12/1075095112.db2.gz AMHIHQOELFAUDO-CBBWQLFWSA-N 2 2 379.461 -1.020 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCN2C(=O)CNC2=O)C1 ZINC001095267421 1075095232 /nfs/dbraw/zinc/09/52/32/1075095232.db2.gz AMHIHQOELFAUDO-QPSCCSFWSA-N 2 2 379.461 -1.020 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2C(=O)CNC2=O)C1 ZINC001095267421 1075095227 /nfs/dbraw/zinc/09/52/27/1075095227.db2.gz AMHIHQOELFAUDO-QPSCCSFWSA-N 2 2 379.461 -1.020 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2C(=O)CNC2=O)C1 ZINC001095267421 1075095225 /nfs/dbraw/zinc/09/52/25/1075095225.db2.gz AMHIHQOELFAUDO-QPSCCSFWSA-N 2 2 379.461 -1.020 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2C(=O)CNC2=O)C1 ZINC001095267421 1075095221 /nfs/dbraw/zinc/09/52/21/1075095221.db2.gz AMHIHQOELFAUDO-QPSCCSFWSA-N 2 2 379.461 -1.020 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)O1 ZINC001095611170 1075683634 /nfs/dbraw/zinc/68/36/34/1075683634.db2.gz HPQHBCAIWLRAOI-NIFZNCRKSA-N 2 2 379.461 -1.021 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)O1 ZINC001095611170 1075683631 /nfs/dbraw/zinc/68/36/31/1075683631.db2.gz HPQHBCAIWLRAOI-NIFZNCRKSA-N 2 2 379.461 -1.021 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)O1 ZINC001095611170 1075683627 /nfs/dbraw/zinc/68/36/27/1075683627.db2.gz HPQHBCAIWLRAOI-NIFZNCRKSA-N 2 2 379.461 -1.021 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)O1 ZINC001095611170 1075683624 /nfs/dbraw/zinc/68/36/24/1075683624.db2.gz HPQHBCAIWLRAOI-NIFZNCRKSA-N 2 2 379.461 -1.021 20 0 GAADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)N1CCNC(=O)C1 ZINC001096356152 1073443820 /nfs/dbraw/zinc/44/38/20/1073443820.db2.gz NCDVSSRINIEJIX-ILXRZTDVSA-N 2 2 375.473 -1.238 20 0 GAADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2)N1CCNC(=O)C1 ZINC001096356152 1073443810 /nfs/dbraw/zinc/44/38/10/1073443810.db2.gz NCDVSSRINIEJIX-ILXRZTDVSA-N 2 2 375.473 -1.238 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)C1 ZINC001096586360 1073452500 /nfs/dbraw/zinc/45/25/00/1073452500.db2.gz XQQPNWBMUYCSRL-CBBWQLFWSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)C1 ZINC001096586360 1073452485 /nfs/dbraw/zinc/45/24/85/1073452485.db2.gz XQQPNWBMUYCSRL-CBBWQLFWSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)C1 ZINC001096586360 1073452477 /nfs/dbraw/zinc/45/24/77/1073452477.db2.gz XQQPNWBMUYCSRL-CBBWQLFWSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)C1 ZINC001096586360 1073452470 /nfs/dbraw/zinc/45/24/70/1073452470.db2.gz XQQPNWBMUYCSRL-CBBWQLFWSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)C1 ZINC001096586361 1073452658 /nfs/dbraw/zinc/45/26/58/1073452658.db2.gz XQQPNWBMUYCSRL-QPSCCSFWSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)C1 ZINC001096586361 1073452648 /nfs/dbraw/zinc/45/26/48/1073452648.db2.gz XQQPNWBMUYCSRL-QPSCCSFWSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)C1 ZINC001096586361 1073452642 /nfs/dbraw/zinc/45/26/42/1073452642.db2.gz XQQPNWBMUYCSRL-QPSCCSFWSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)C1 ZINC001096586361 1073452636 /nfs/dbraw/zinc/45/26/36/1073452636.db2.gz XQQPNWBMUYCSRL-QPSCCSFWSA-N 2 2 379.461 -1.020 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCN2C(=O)CNC2=O)C1 ZINC001096913967 1073455590 /nfs/dbraw/zinc/45/55/90/1073455590.db2.gz AMHIHQOELFAUDO-APIJFGDWSA-N 2 2 379.461 -1.020 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2C(=O)CNC2=O)C1 ZINC001096913967 1073455588 /nfs/dbraw/zinc/45/55/88/1073455588.db2.gz AMHIHQOELFAUDO-APIJFGDWSA-N 2 2 379.461 -1.020 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2C(=O)CNC2=O)C1 ZINC001096913967 1073455586 /nfs/dbraw/zinc/45/55/86/1073455586.db2.gz AMHIHQOELFAUDO-APIJFGDWSA-N 2 2 379.461 -1.020 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2C(=O)CNC2=O)C1 ZINC001096913967 1073455584 /nfs/dbraw/zinc/45/55/84/1073455584.db2.gz AMHIHQOELFAUDO-APIJFGDWSA-N 2 2 379.461 -1.020 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCN2C(=O)CNC2=O)C1 ZINC001096913968 1073455545 /nfs/dbraw/zinc/45/55/45/1073455545.db2.gz AMHIHQOELFAUDO-KBXIAJHMSA-N 2 2 379.461 -1.020 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCN2C(=O)CNC2=O)C1 ZINC001096913968 1073455544 /nfs/dbraw/zinc/45/55/44/1073455544.db2.gz AMHIHQOELFAUDO-KBXIAJHMSA-N 2 2 379.461 -1.020 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2C(=O)CNC2=O)C1 ZINC001096913968 1073455541 /nfs/dbraw/zinc/45/55/41/1073455541.db2.gz AMHIHQOELFAUDO-KBXIAJHMSA-N 2 2 379.461 -1.020 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCN2C(=O)CNC2=O)C1 ZINC001096913968 1073455538 /nfs/dbraw/zinc/45/55/38/1073455538.db2.gz AMHIHQOELFAUDO-KBXIAJHMSA-N 2 2 379.461 -1.020 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)O1 ZINC001097323683 1073460906 /nfs/dbraw/zinc/46/09/06/1073460906.db2.gz HPQHBCAIWLRAOI-ARILJUKYSA-N 2 2 379.461 -1.021 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)O1 ZINC001097323683 1073460898 /nfs/dbraw/zinc/46/08/98/1073460898.db2.gz HPQHBCAIWLRAOI-ARILJUKYSA-N 2 2 379.461 -1.021 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)O1 ZINC001097323683 1073460894 /nfs/dbraw/zinc/46/08/94/1073460894.db2.gz HPQHBCAIWLRAOI-ARILJUKYSA-N 2 2 379.461 -1.021 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)O1 ZINC001097323683 1073460886 /nfs/dbraw/zinc/46/08/86/1073460886.db2.gz HPQHBCAIWLRAOI-ARILJUKYSA-N 2 2 379.461 -1.021 20 0 GAADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)N1CCNC(=O)C1 ZINC001098223478 1073544359 /nfs/dbraw/zinc/54/43/59/1073544359.db2.gz NCDVSSRINIEJIX-KFWWJZLASA-N 2 2 375.473 -1.238 20 0 GAADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2)N1CCNC(=O)C1 ZINC001098223478 1073544351 /nfs/dbraw/zinc/54/43/51/1073544351.db2.gz NCDVSSRINIEJIX-KFWWJZLASA-N 2 2 375.473 -1.238 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)C1 ZINC001098447065 1073547822 /nfs/dbraw/zinc/54/78/22/1073547822.db2.gz XQQPNWBMUYCSRL-APIJFGDWSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)C1 ZINC001098447065 1073547820 /nfs/dbraw/zinc/54/78/20/1073547820.db2.gz XQQPNWBMUYCSRL-APIJFGDWSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)C1 ZINC001098447065 1073547816 /nfs/dbraw/zinc/54/78/16/1073547816.db2.gz XQQPNWBMUYCSRL-APIJFGDWSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)C1 ZINC001098447065 1073547813 /nfs/dbraw/zinc/54/78/13/1073547813.db2.gz XQQPNWBMUYCSRL-APIJFGDWSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2C(=O)CNC2=O)C1 ZINC001098447066 1073547488 /nfs/dbraw/zinc/54/74/88/1073547488.db2.gz XQQPNWBMUYCSRL-KBXIAJHMSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN2C(=O)CNC2=O)C1 ZINC001098447066 1073547472 /nfs/dbraw/zinc/54/74/72/1073547472.db2.gz XQQPNWBMUYCSRL-KBXIAJHMSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)C1 ZINC001098447066 1073547460 /nfs/dbraw/zinc/54/74/60/1073547460.db2.gz XQQPNWBMUYCSRL-KBXIAJHMSA-N 2 2 379.461 -1.020 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCN2C(=O)CNC2=O)C1 ZINC001098447066 1073547447 /nfs/dbraw/zinc/54/74/47/1073547447.db2.gz XQQPNWBMUYCSRL-KBXIAJHMSA-N 2 2 379.461 -1.020 20 0 GAADLP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277489 1073562228 /nfs/dbraw/zinc/56/22/28/1073562228.db2.gz JTYWYRPDSVLWIA-MMQJMDILSA-N 2 2 381.477 -1.059 20 0 GAADLP CNC(=O)NC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277489 1073562218 /nfs/dbraw/zinc/56/22/18/1073562218.db2.gz JTYWYRPDSVLWIA-MMQJMDILSA-N 2 2 381.477 -1.059 20 0 GAADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277489 1073562211 /nfs/dbraw/zinc/56/22/11/1073562211.db2.gz JTYWYRPDSVLWIA-MMQJMDILSA-N 2 2 381.477 -1.059 20 0 GAADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277489 1073562201 /nfs/dbraw/zinc/56/22/01/1073562201.db2.gz JTYWYRPDSVLWIA-MMQJMDILSA-N 2 2 381.477 -1.059 20 0 GAADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)n1 ZINC001109301761 1074992154 /nfs/dbraw/zinc/99/21/54/1074992154.db2.gz KRDRTIMGPHNJCF-XBFCOCLRSA-N 2 2 377.449 -1.025 20 0 GAADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)n1 ZINC001109301761 1074992145 /nfs/dbraw/zinc/99/21/45/1074992145.db2.gz KRDRTIMGPHNJCF-XBFCOCLRSA-N 2 2 377.449 -1.025 20 0 GAADLP NC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538593 1074997543 /nfs/dbraw/zinc/99/75/43/1074997543.db2.gz JNQXMMZYHQCALZ-HKBKTTATSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538593 1074997541 /nfs/dbraw/zinc/99/75/41/1074997541.db2.gz JNQXMMZYHQCALZ-HKBKTTATSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538593 1074997535 /nfs/dbraw/zinc/99/75/35/1074997535.db2.gz JNQXMMZYHQCALZ-HKBKTTATSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538593 1074997532 /nfs/dbraw/zinc/99/75/32/1074997532.db2.gz JNQXMMZYHQCALZ-HKBKTTATSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538594 1074997513 /nfs/dbraw/zinc/99/75/13/1074997513.db2.gz JNQXMMZYHQCALZ-RDEZWUOBSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538594 1074997510 /nfs/dbraw/zinc/99/75/10/1074997510.db2.gz JNQXMMZYHQCALZ-RDEZWUOBSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538594 1074997506 /nfs/dbraw/zinc/99/75/06/1074997506.db2.gz JNQXMMZYHQCALZ-RDEZWUOBSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538594 1074997503 /nfs/dbraw/zinc/99/75/03/1074997503.db2.gz JNQXMMZYHQCALZ-RDEZWUOBSA-N 2 2 377.445 -1.234 20 0 GAADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)cn1 ZINC001109822640 1075002706 /nfs/dbraw/zinc/00/27/06/1075002706.db2.gz ZPNRYIFIEVSQTK-RDBSUJKOSA-N 2 2 377.449 -1.025 20 0 GAADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)cn1 ZINC001109822640 1075002704 /nfs/dbraw/zinc/00/27/04/1075002704.db2.gz ZPNRYIFIEVSQTK-RDBSUJKOSA-N 2 2 377.449 -1.025 20 0 GAADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001109848002 1075002738 /nfs/dbraw/zinc/00/27/38/1075002738.db2.gz QYDXQTQSYZCDLN-ILXRZTDVSA-N 2 2 379.461 -1.018 20 0 GAADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001109848002 1075002734 /nfs/dbraw/zinc/00/27/34/1075002734.db2.gz QYDXQTQSYZCDLN-ILXRZTDVSA-N 2 2 379.461 -1.018 20 0 GAADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109977423 1075005925 /nfs/dbraw/zinc/00/59/25/1075005925.db2.gz IRVILHLXMPBKSA-ILXRZTDVSA-N 2 2 381.477 -1.756 20 0 GAADLP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001109977423 1075005920 /nfs/dbraw/zinc/00/59/20/1075005920.db2.gz IRVILHLXMPBKSA-ILXRZTDVSA-N 2 2 381.477 -1.756 20 0 GAADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)n1 ZINC001110574390 1075425325 /nfs/dbraw/zinc/42/53/25/1075425325.db2.gz KRDRTIMGPHNJCF-BNOWGMLFSA-N 2 2 377.449 -1.025 20 0 GAADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)n1 ZINC001110574390 1075425322 /nfs/dbraw/zinc/42/53/22/1075425322.db2.gz KRDRTIMGPHNJCF-BNOWGMLFSA-N 2 2 377.449 -1.025 20 0 GAADLP NC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110830743 1075525721 /nfs/dbraw/zinc/52/57/21/1075525721.db2.gz JNQXMMZYHQCALZ-HAERHNMJSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110830743 1075525716 /nfs/dbraw/zinc/52/57/16/1075525716.db2.gz JNQXMMZYHQCALZ-HAERHNMJSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110830743 1075525713 /nfs/dbraw/zinc/52/57/13/1075525713.db2.gz JNQXMMZYHQCALZ-HAERHNMJSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110830743 1075525708 /nfs/dbraw/zinc/52/57/08/1075525708.db2.gz JNQXMMZYHQCALZ-HAERHNMJSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110830751 1075525694 /nfs/dbraw/zinc/52/56/94/1075525694.db2.gz JNQXMMZYHQCALZ-MVAYHVCCSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110830751 1075525689 /nfs/dbraw/zinc/52/56/89/1075525689.db2.gz JNQXMMZYHQCALZ-MVAYHVCCSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110830751 1075525687 /nfs/dbraw/zinc/52/56/87/1075525687.db2.gz JNQXMMZYHQCALZ-MVAYHVCCSA-N 2 2 377.445 -1.234 20 0 GAADLP NC(=O)NC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110830751 1075525680 /nfs/dbraw/zinc/52/56/80/1075525680.db2.gz JNQXMMZYHQCALZ-MVAYHVCCSA-N 2 2 377.445 -1.234 20 0 GAADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC(N)=O)cn1 ZINC001111124304 1075729452 /nfs/dbraw/zinc/72/94/52/1075729452.db2.gz ZPNRYIFIEVSQTK-MCIONIFRSA-N 2 2 377.449 -1.025 20 0 GAADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC(N)=O)cn1 ZINC001111124304 1075729449 /nfs/dbraw/zinc/72/94/49/1075729449.db2.gz ZPNRYIFIEVSQTK-MCIONIFRSA-N 2 2 377.449 -1.025 20 0 GAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001111152176 1075736579 /nfs/dbraw/zinc/73/65/79/1075736579.db2.gz QYDXQTQSYZCDLN-KFWWJZLASA-N 2 2 379.461 -1.018 20 0 GAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001111152176 1075736576 /nfs/dbraw/zinc/73/65/76/1075736576.db2.gz QYDXQTQSYZCDLN-KFWWJZLASA-N 2 2 379.461 -1.018 20 0 GAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCNC(=O)C1 ZINC001111277259 1075770367 /nfs/dbraw/zinc/77/03/67/1075770367.db2.gz IRVILHLXMPBKSA-KFWWJZLASA-N 2 2 381.477 -1.756 20 0 GAADLP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCNC(=O)C1 ZINC001111277259 1075770364 /nfs/dbraw/zinc/77/03/64/1075770364.db2.gz IRVILHLXMPBKSA-KFWWJZLASA-N 2 2 381.477 -1.756 20 0 GAADLP COCC(=O)NCCC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001116051718 1073579059 /nfs/dbraw/zinc/57/90/59/1073579059.db2.gz QHRBFGRVSIMOLP-UHFFFAOYSA-N 2 2 397.520 -1.164 20 0 GAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001116217306 1073583308 /nfs/dbraw/zinc/58/33/08/1073583308.db2.gz SLIWACSCAOZLQT-INIZCTEOSA-N 2 2 385.509 -1.127 20 0 GAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001116217307 1073583490 /nfs/dbraw/zinc/58/34/90/1073583490.db2.gz SLIWACSCAOZLQT-MRXNPFEDSA-N 2 2 385.509 -1.127 20 0 GAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001116308725 1073587234 /nfs/dbraw/zinc/58/72/34/1073587234.db2.gz KWFJZPZRQKHJNV-CYBMUJFWSA-N 2 2 390.448 -1.099 20 0 GAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC001116308726 1073587354 /nfs/dbraw/zinc/58/73/54/1073587354.db2.gz KWFJZPZRQKHJNV-ZDUSSCGKSA-N 2 2 390.448 -1.099 20 0 GAADLP C[N@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001116616248 1073598201 /nfs/dbraw/zinc/59/82/01/1073598201.db2.gz BUMVUISCJRNOBM-KRWDZBQOSA-N 2 2 380.449 -1.663 20 0 GAADLP C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001116616248 1073598194 /nfs/dbraw/zinc/59/81/94/1073598194.db2.gz BUMVUISCJRNOBM-KRWDZBQOSA-N 2 2 380.449 -1.663 20 0 GAADLP C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001116616249 1073598440 /nfs/dbraw/zinc/59/84/40/1073598440.db2.gz BUMVUISCJRNOBM-QGZVFWFLSA-N 2 2 380.449 -1.663 20 0 GAADLP C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001116616249 1073598432 /nfs/dbraw/zinc/59/84/32/1073598432.db2.gz BUMVUISCJRNOBM-QGZVFWFLSA-N 2 2 380.449 -1.663 20 0 GAADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001116958021 1073615394 /nfs/dbraw/zinc/61/53/94/1073615394.db2.gz GDLIOVNDDOSWIT-INIZCTEOSA-N 2 2 378.477 -1.088 20 0 GAADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001116958021 1073615386 /nfs/dbraw/zinc/61/53/86/1073615386.db2.gz GDLIOVNDDOSWIT-INIZCTEOSA-N 2 2 378.477 -1.088 20 0 GAADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001116958022 1073615611 /nfs/dbraw/zinc/61/56/11/1073615611.db2.gz GDLIOVNDDOSWIT-MRXNPFEDSA-N 2 2 378.477 -1.088 20 0 GAADLP O=C(NCCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001116958022 1073615604 /nfs/dbraw/zinc/61/56/04/1073615604.db2.gz GDLIOVNDDOSWIT-MRXNPFEDSA-N 2 2 378.477 -1.088 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC001117047383 1073625786 /nfs/dbraw/zinc/62/57/86/1073625786.db2.gz FSTIRBYVFVITBQ-UHFFFAOYSA-N 2 2 395.504 -1.364 20 0 GAADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001117123807 1073635084 /nfs/dbraw/zinc/63/50/84/1073635084.db2.gz OJWHTAHGCCNLPM-CVEARBPZSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001117123807 1073635082 /nfs/dbraw/zinc/63/50/82/1073635082.db2.gz OJWHTAHGCCNLPM-CVEARBPZSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC001117123807 1073635076 /nfs/dbraw/zinc/63/50/76/1073635076.db2.gz OJWHTAHGCCNLPM-CVEARBPZSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC001117123807 1073635070 /nfs/dbraw/zinc/63/50/70/1073635070.db2.gz OJWHTAHGCCNLPM-CVEARBPZSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001117123808 1073634842 /nfs/dbraw/zinc/63/48/42/1073634842.db2.gz OJWHTAHGCCNLPM-HOTGVXAUSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001117123808 1073634837 /nfs/dbraw/zinc/63/48/37/1073634837.db2.gz OJWHTAHGCCNLPM-HOTGVXAUSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@H]1CC[NH+](C2CC2)C1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001117123808 1073634828 /nfs/dbraw/zinc/63/48/28/1073634828.db2.gz OJWHTAHGCCNLPM-HOTGVXAUSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@H]1CC[NH+](C2CC2)C1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001117123808 1073634822 /nfs/dbraw/zinc/63/48/22/1073634822.db2.gz OJWHTAHGCCNLPM-HOTGVXAUSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001117123809 1073635115 /nfs/dbraw/zinc/63/51/15/1073635115.db2.gz OJWHTAHGCCNLPM-HZPDHXFCSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001117123809 1073635112 /nfs/dbraw/zinc/63/51/12/1073635112.db2.gz OJWHTAHGCCNLPM-HZPDHXFCSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001117123809 1073635109 /nfs/dbraw/zinc/63/51/09/1073635109.db2.gz OJWHTAHGCCNLPM-HZPDHXFCSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001117123809 1073635104 /nfs/dbraw/zinc/63/51/04/1073635104.db2.gz OJWHTAHGCCNLPM-HZPDHXFCSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001117123810 1073635026 /nfs/dbraw/zinc/63/50/26/1073635026.db2.gz OJWHTAHGCCNLPM-JKSUJKDBSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001117123810 1073635021 /nfs/dbraw/zinc/63/50/21/1073635021.db2.gz OJWHTAHGCCNLPM-JKSUJKDBSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001117123810 1073635014 /nfs/dbraw/zinc/63/50/14/1073635014.db2.gz OJWHTAHGCCNLPM-JKSUJKDBSA-N 2 2 379.505 -1.138 20 0 GAADLP O=C(N[C@@H]1CC[NH+](C2CC2)C1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001117123810 1073635005 /nfs/dbraw/zinc/63/50/05/1073635005.db2.gz OJWHTAHGCCNLPM-JKSUJKDBSA-N 2 2 379.505 -1.138 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)CC2)CC1 ZINC001117170706 1073641129 /nfs/dbraw/zinc/64/11/29/1073641129.db2.gz QENDLMQIZZOTKB-INIZCTEOSA-N 2 2 392.504 -1.103 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)CC2)CC1 ZINC001117170707 1073641820 /nfs/dbraw/zinc/64/18/20/1073641820.db2.gz QENDLMQIZZOTKB-MRXNPFEDSA-N 2 2 392.504 -1.103 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCN3C(=O)CNC3=O)C2)CC1 ZINC001117282305 1073649610 /nfs/dbraw/zinc/64/96/10/1073649610.db2.gz HCYUDPHTAGOMGD-CYBMUJFWSA-N 2 2 394.476 -1.671 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCN3C(=O)CNC3=O)C2)CC1 ZINC001117282305 1073649606 /nfs/dbraw/zinc/64/96/06/1073649606.db2.gz HCYUDPHTAGOMGD-CYBMUJFWSA-N 2 2 394.476 -1.671 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCN3C(=O)CNC3=O)C2)CC1 ZINC001117282306 1073649417 /nfs/dbraw/zinc/64/94/17/1073649417.db2.gz HCYUDPHTAGOMGD-ZDUSSCGKSA-N 2 2 394.476 -1.671 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCN3C(=O)CNC3=O)C2)CC1 ZINC001117282306 1073649412 /nfs/dbraw/zinc/64/94/12/1073649412.db2.gz HCYUDPHTAGOMGD-ZDUSSCGKSA-N 2 2 394.476 -1.671 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCNS(C)(=O)=O)C2)CC1 ZINC001117321324 1073657227 /nfs/dbraw/zinc/65/72/27/1073657227.db2.gz VKFPXZLEGUVHLG-GFCCVEGCSA-N 2 2 375.495 -2.064 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCNS(C)(=O)=O)C2)CC1 ZINC001117321324 1073657222 /nfs/dbraw/zinc/65/72/22/1073657222.db2.gz VKFPXZLEGUVHLG-GFCCVEGCSA-N 2 2 375.495 -2.064 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCNS(C)(=O)=O)C2)CC1 ZINC001117321326 1073657258 /nfs/dbraw/zinc/65/72/58/1073657258.db2.gz VKFPXZLEGUVHLG-LBPRGKRZSA-N 2 2 375.495 -2.064 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCNS(C)(=O)=O)C2)CC1 ZINC001117321326 1073657253 /nfs/dbraw/zinc/65/72/53/1073657253.db2.gz VKFPXZLEGUVHLG-LBPRGKRZSA-N 2 2 375.495 -2.064 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)C2)CC1 ZINC001117368782 1073668505 /nfs/dbraw/zinc/66/85/05/1073668505.db2.gz GFHUTDSSMWSNMI-DZGCQCFKSA-N 2 2 378.477 -1.493 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)C2)CC1 ZINC001117368782 1073668498 /nfs/dbraw/zinc/66/84/98/1073668498.db2.gz GFHUTDSSMWSNMI-DZGCQCFKSA-N 2 2 378.477 -1.493 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)C2)CC1 ZINC001117368786 1073668380 /nfs/dbraw/zinc/66/83/80/1073668380.db2.gz GFHUTDSSMWSNMI-HIFRSBDPSA-N 2 2 378.477 -1.493 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)C2)CC1 ZINC001117368786 1073668376 /nfs/dbraw/zinc/66/83/76/1073668376.db2.gz GFHUTDSSMWSNMI-HIFRSBDPSA-N 2 2 378.477 -1.493 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)C2)CC1 ZINC001117368787 1073668318 /nfs/dbraw/zinc/66/83/18/1073668318.db2.gz GFHUTDSSMWSNMI-UKRRQHHQSA-N 2 2 378.477 -1.493 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)C2)CC1 ZINC001117368787 1073668313 /nfs/dbraw/zinc/66/83/13/1073668313.db2.gz GFHUTDSSMWSNMI-UKRRQHHQSA-N 2 2 378.477 -1.493 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)C2)CC1 ZINC001117368789 1073668464 /nfs/dbraw/zinc/66/84/64/1073668464.db2.gz GFHUTDSSMWSNMI-ZFWWWQNUSA-N 2 2 378.477 -1.493 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)C2)CC1 ZINC001117368789 1073668458 /nfs/dbraw/zinc/66/84/58/1073668458.db2.gz GFHUTDSSMWSNMI-ZFWWWQNUSA-N 2 2 378.477 -1.493 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001117560166 1073689515 /nfs/dbraw/zinc/68/95/15/1073689515.db2.gz OCHHJKXNNMCZLT-CABCVRRESA-N 2 2 383.493 -1.380 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001117560166 1073689512 /nfs/dbraw/zinc/68/95/12/1073689512.db2.gz OCHHJKXNNMCZLT-CABCVRRESA-N 2 2 383.493 -1.380 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001117560167 1073689533 /nfs/dbraw/zinc/68/95/33/1073689533.db2.gz OCHHJKXNNMCZLT-GJZGRUSLSA-N 2 2 383.493 -1.380 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001117560167 1073689531 /nfs/dbraw/zinc/68/95/31/1073689531.db2.gz OCHHJKXNNMCZLT-GJZGRUSLSA-N 2 2 383.493 -1.380 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001117560168 1073689568 /nfs/dbraw/zinc/68/95/68/1073689568.db2.gz OCHHJKXNNMCZLT-HUUCEWRRSA-N 2 2 383.493 -1.380 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001117560168 1073689566 /nfs/dbraw/zinc/68/95/66/1073689566.db2.gz OCHHJKXNNMCZLT-HUUCEWRRSA-N 2 2 383.493 -1.380 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001117560169 1073689427 /nfs/dbraw/zinc/68/94/27/1073689427.db2.gz OCHHJKXNNMCZLT-LSDHHAIUSA-N 2 2 383.493 -1.380 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001117560169 1073689420 /nfs/dbraw/zinc/68/94/20/1073689420.db2.gz OCHHJKXNNMCZLT-LSDHHAIUSA-N 2 2 383.493 -1.380 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001117587750 1073694115 /nfs/dbraw/zinc/69/41/15/1073694115.db2.gz ZONKKKHWONZXAP-UHFFFAOYSA-N 2 2 393.492 -1.260 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC001117587750 1073694113 /nfs/dbraw/zinc/69/41/13/1073694113.db2.gz ZONKKKHWONZXAP-UHFFFAOYSA-N 2 2 393.492 -1.260 20 0 GAADLP COCCN1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC001117952883 1073717045 /nfs/dbraw/zinc/71/70/45/1073717045.db2.gz OTZQYKZEEIZWMV-UHFFFAOYSA-N 2 2 397.520 -1.212 20 0 GAADLP COCCN1CCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1=O ZINC001117952883 1073717035 /nfs/dbraw/zinc/71/70/35/1073717035.db2.gz OTZQYKZEEIZWMV-UHFFFAOYSA-N 2 2 397.520 -1.212 20 0 GAADLP CN1C(=O)CC[C@H](NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001118111275 1073722455 /nfs/dbraw/zinc/72/24/55/1073722455.db2.gz WBDKJUWDGBPUPE-HNNXBMFYSA-N 2 2 393.488 -1.075 20 0 GAADLP CN1C(=O)CC[C@@H](NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001118111276 1073723000 /nfs/dbraw/zinc/72/30/00/1073723000.db2.gz WBDKJUWDGBPUPE-OAHLLOKOSA-N 2 2 393.488 -1.075 20 0 GAADLP [NH3+]CCCCn1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC001118134347 1073723680 /nfs/dbraw/zinc/72/36/80/1073723680.db2.gz OMERWQLHPRMGOG-AWEZNQCLSA-N 2 2 379.465 -1.320 20 0 GAADLP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC001118134348 1073723698 /nfs/dbraw/zinc/72/36/98/1073723698.db2.gz OMERWQLHPRMGOG-CQSZACIVSA-N 2 2 379.465 -1.320 20 0 GAADLP 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 ZINC001118333081 1073747868 /nfs/dbraw/zinc/74/78/68/1073747868.db2.gz HDPDFHXOILSGQF-RAKBRVFGSA-N 2 2 390.484 -1.346 20 0 GAADLP 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 ZINC001118333081 1073747862 /nfs/dbraw/zinc/74/78/62/1073747862.db2.gz HDPDFHXOILSGQF-RAKBRVFGSA-N 2 2 390.484 -1.346 20 0 GAADLP O=C(/C=C/C=C\C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC001118333081 1073747854 /nfs/dbraw/zinc/74/78/54/1073747854.db2.gz HDPDFHXOILSGQF-RAKBRVFGSA-N 2 2 390.484 -1.346 20 0 GAADLP O=C(/C=C/C=C\C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC001118333081 1073747848 /nfs/dbraw/zinc/74/78/48/1073747848.db2.gz HDPDFHXOILSGQF-RAKBRVFGSA-N 2 2 390.484 -1.346 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC2)CC1 ZINC001118400275 1073754331 /nfs/dbraw/zinc/75/43/31/1073754331.db2.gz LGLXWOFPTXKDFS-ZWKOTPCHSA-N 3 2 393.532 -1.061 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)CC2)CC1 ZINC001118400275 1073754316 /nfs/dbraw/zinc/75/43/16/1073754316.db2.gz LGLXWOFPTXKDFS-ZWKOTPCHSA-N 3 2 393.532 -1.061 20 0 GAADLP C[NH2+]CCCC(=O)N1CCC(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC001118490332 1073760819 /nfs/dbraw/zinc/76/08/19/1073760819.db2.gz HEEQGIQYQRXLBN-UHFFFAOYSA-N 2 2 397.520 -1.116 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOCCS(N)(=O)=O)C2)CC1 ZINC001118605589 1073771708 /nfs/dbraw/zinc/77/17/08/1073771708.db2.gz OEKIBXFYRUZFID-CYBMUJFWSA-N 2 2 377.511 -1.241 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOCCS(N)(=O)=O)C2)CC1 ZINC001118605589 1073771704 /nfs/dbraw/zinc/77/17/04/1073771704.db2.gz OEKIBXFYRUZFID-CYBMUJFWSA-N 2 2 377.511 -1.241 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOCCS(N)(=O)=O)C2)CC1 ZINC001118605592 1073771636 /nfs/dbraw/zinc/77/16/36/1073771636.db2.gz OEKIBXFYRUZFID-ZDUSSCGKSA-N 2 2 377.511 -1.241 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOCCS(N)(=O)=O)C2)CC1 ZINC001118605592 1073771632 /nfs/dbraw/zinc/77/16/32/1073771632.db2.gz OEKIBXFYRUZFID-ZDUSSCGKSA-N 2 2 377.511 -1.241 20 0 GAADLP O=C(NCCn1cc[nH+]c1)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001118865159 1073794806 /nfs/dbraw/zinc/79/48/06/1073794806.db2.gz JHENKNSHKUOTFN-KGLIPLIRSA-N 2 2 376.417 -1.217 20 0 GAADLP C[NH+]1CCN(CC(=O)N[C@@H]2CCCN(C(=O)CN3CC[NH+](C)CC3)C2)CC1 ZINC001118911062 1073805056 /nfs/dbraw/zinc/80/50/56/1073805056.db2.gz YREOOWUDPUHBIO-QGZVFWFLSA-N 2 2 380.537 -1.412 20 0 GAADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NC[C@H]3COCC[NH2+]3)CC2)CC1 ZINC001118929664 1073807309 /nfs/dbraw/zinc/80/73/09/1073807309.db2.gz GUSOGMKAFVGIFZ-HNNXBMFYSA-N 2 2 381.477 -1.896 20 0 GAADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)NC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC001118929665 1073807540 /nfs/dbraw/zinc/80/75/40/1073807540.db2.gz GUSOGMKAFVGIFZ-OAHLLOKOSA-N 2 2 381.477 -1.896 20 0 GAADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001118939427 1073808779 /nfs/dbraw/zinc/80/87/79/1073808779.db2.gz PDNBGCAMFXHOQC-OAHLLOKOSA-N 2 2 380.449 -1.663 20 0 GAADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001118939427 1073808771 /nfs/dbraw/zinc/80/87/71/1073808771.db2.gz PDNBGCAMFXHOQC-OAHLLOKOSA-N 2 2 380.449 -1.663 20 0 GAADLP C[NH+]1CCN(C2CCN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)CC1 ZINC001118974210 1073811531 /nfs/dbraw/zinc/81/15/31/1073811531.db2.gz JFSLOMBEBYGQQX-GOSISDBHSA-N 2 2 392.548 -1.269 20 0 GAADLP C[NH+]1CCN(C2CCN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CC2)CC1 ZINC001118974213 1073811495 /nfs/dbraw/zinc/81/14/95/1073811495.db2.gz JFSLOMBEBYGQQX-SFHVURJKSA-N 2 2 392.548 -1.269 20 0 GAADLP O=C([C@H]1CC[C@@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001118978262 1073811447 /nfs/dbraw/zinc/81/14/47/1073811447.db2.gz REWLIKZUOJJCPV-BDXSIMOUSA-N 2 2 392.500 -1.433 20 0 GAADLP O=C([C@H]1CC[C@@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001118978262 1073811431 /nfs/dbraw/zinc/81/14/31/1073811431.db2.gz REWLIKZUOJJCPV-BDXSIMOUSA-N 2 2 392.500 -1.433 20 0 GAADLP O=C([C@@H]1CC[C@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001118978265 1073811328 /nfs/dbraw/zinc/81/13/28/1073811328.db2.gz REWLIKZUOJJCPV-BRSBDYLESA-N 2 2 392.500 -1.433 20 0 GAADLP O=C([C@@H]1CC[C@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001118978265 1073811321 /nfs/dbraw/zinc/81/13/21/1073811321.db2.gz REWLIKZUOJJCPV-BRSBDYLESA-N 2 2 392.500 -1.433 20 0 GAADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001119295563 1073822539 /nfs/dbraw/zinc/82/25/39/1073822539.db2.gz VPRFIOOMNLPDPJ-AWEZNQCLSA-N 2 2 391.476 -1.185 20 0 GAADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001119295563 1073822528 /nfs/dbraw/zinc/82/25/28/1073822528.db2.gz VPRFIOOMNLPDPJ-AWEZNQCLSA-N 2 2 391.476 -1.185 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC001119343841 1073822868 /nfs/dbraw/zinc/82/28/68/1073822868.db2.gz QATHJGSOUVUYGC-CABCVRRESA-N 2 2 386.518 -1.036 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC001119343842 1073823185 /nfs/dbraw/zinc/82/31/85/1073823185.db2.gz QATHJGSOUVUYGC-GJZGRUSLSA-N 2 2 386.518 -1.036 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001119343843 1073822956 /nfs/dbraw/zinc/82/29/56/1073822956.db2.gz QATHJGSOUVUYGC-HUUCEWRRSA-N 2 2 386.518 -1.036 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001119343844 1073823037 /nfs/dbraw/zinc/82/30/37/1073823037.db2.gz QATHJGSOUVUYGC-LSDHHAIUSA-N 2 2 386.518 -1.036 20 0 GAADLP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001119352630 1073822993 /nfs/dbraw/zinc/82/29/93/1073822993.db2.gz OIAFUQRUOVYAHE-ZDUSSCGKSA-N 2 2 390.510 -2.524 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)C2)CC1 ZINC001119488726 1073824490 /nfs/dbraw/zinc/82/44/90/1073824490.db2.gz MGZYJOCYCUDFEK-UMVBOHGHSA-N 2 2 386.518 -1.037 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)C2)CC1 ZINC001119488726 1073824473 /nfs/dbraw/zinc/82/44/73/1073824473.db2.gz MGZYJOCYCUDFEK-UMVBOHGHSA-N 2 2 386.518 -1.037 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)C2)CC1 ZINC001119488727 1073824690 /nfs/dbraw/zinc/82/46/90/1073824690.db2.gz MGZYJOCYCUDFEK-YDHLFZDLSA-N 2 2 386.518 -1.037 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)C2)CC1 ZINC001119488727 1073824682 /nfs/dbraw/zinc/82/46/82/1073824682.db2.gz MGZYJOCYCUDFEK-YDHLFZDLSA-N 2 2 386.518 -1.037 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001120304444 1073832646 /nfs/dbraw/zinc/83/26/46/1073832646.db2.gz HAZJWXALQBPZRK-DLBZAZTESA-N 2 2 398.504 -1.493 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001120304444 1073832636 /nfs/dbraw/zinc/83/26/36/1073832636.db2.gz HAZJWXALQBPZRK-DLBZAZTESA-N 2 2 398.504 -1.493 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001120304449 1073832923 /nfs/dbraw/zinc/83/29/23/1073832923.db2.gz HAZJWXALQBPZRK-IAGOWNOFSA-N 2 2 398.504 -1.493 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001120304449 1073832911 /nfs/dbraw/zinc/83/29/11/1073832911.db2.gz HAZJWXALQBPZRK-IAGOWNOFSA-N 2 2 398.504 -1.493 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001120304453 1073832757 /nfs/dbraw/zinc/83/27/57/1073832757.db2.gz HAZJWXALQBPZRK-IRXDYDNUSA-N 2 2 398.504 -1.493 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001120304453 1073832746 /nfs/dbraw/zinc/83/27/46/1073832746.db2.gz HAZJWXALQBPZRK-IRXDYDNUSA-N 2 2 398.504 -1.493 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001120304457 1073832703 /nfs/dbraw/zinc/83/27/03/1073832703.db2.gz HAZJWXALQBPZRK-SJORKVTESA-N 2 2 398.504 -1.493 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001120304457 1073832694 /nfs/dbraw/zinc/83/26/94/1073832694.db2.gz HAZJWXALQBPZRK-SJORKVTESA-N 2 2 398.504 -1.493 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001120376213 1073834070 /nfs/dbraw/zinc/83/40/70/1073834070.db2.gz ITYVAIJUUQABJF-INIZCTEOSA-N 2 2 398.504 -1.491 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001120376214 1073834101 /nfs/dbraw/zinc/83/41/01/1073834101.db2.gz ITYVAIJUUQABJF-MRXNPFEDSA-N 2 2 398.504 -1.491 20 0 GAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001120514448 1073840375 /nfs/dbraw/zinc/84/03/75/1073840375.db2.gz GKUXREVGABRHEY-DLBZAZTESA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001120514449 1073840107 /nfs/dbraw/zinc/84/01/07/1073840107.db2.gz GKUXREVGABRHEY-IAGOWNOFSA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001120514450 1073840502 /nfs/dbraw/zinc/84/05/02/1073840502.db2.gz GKUXREVGABRHEY-IRXDYDNUSA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001120514451 1073840267 /nfs/dbraw/zinc/84/02/67/1073840267.db2.gz GKUXREVGABRHEY-SJORKVTESA-N 2 2 397.520 -1.654 20 0 GAADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC001120649942 1073840923 /nfs/dbraw/zinc/84/09/23/1073840923.db2.gz VJSOQKUZWQAMRR-UHFFFAOYSA-N 2 2 382.509 -1.405 20 0 GAADLP C[NH+]1CCN(C(=O)CNc2cnc(NCC(=O)N3CC[NH+](C)CC3)cn2)CC1 ZINC001120810608 1073841554 /nfs/dbraw/zinc/84/15/54/1073841554.db2.gz VHMNDHJGFTYWBF-UHFFFAOYSA-N 2 2 390.492 -1.152 20 0 GAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001122002262 1073843768 /nfs/dbraw/zinc/84/37/68/1073843768.db2.gz BSCLPNJUZVCOAX-KBXCAEBGSA-N 2 2 379.461 -1.066 20 0 GAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001122002264 1073843812 /nfs/dbraw/zinc/84/38/12/1073843812.db2.gz BSCLPNJUZVCOAX-KDOFPFPSSA-N 2 2 379.461 -1.066 20 0 GAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001122002266 1073843587 /nfs/dbraw/zinc/84/35/87/1073843587.db2.gz BSCLPNJUZVCOAX-KSSFIOAISA-N 2 2 379.461 -1.066 20 0 GAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001122002269 1073843751 /nfs/dbraw/zinc/84/37/51/1073843751.db2.gz BSCLPNJUZVCOAX-RDTXWAMCSA-N 2 2 379.461 -1.066 20 0 GAADLP CN(C(=O)C1(C[NH3+])CC(O)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001122027754 1073844553 /nfs/dbraw/zinc/84/45/53/1073844553.db2.gz LUVWQHMHMGOECR-UHFFFAOYSA-N 3 2 381.521 -1.217 20 0 GAADLP O=C(C[C@H]1COCC[NH2+]1)N1CC[NH2+]CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001122182297 1073844290 /nfs/dbraw/zinc/84/42/90/1073844290.db2.gz OAINJVZURDJZJG-HOTGVXAUSA-N 3 2 383.493 -1.996 20 0 GAADLP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH2+]CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC001122182298 1073844721 /nfs/dbraw/zinc/84/47/21/1073844721.db2.gz OAINJVZURDJZJG-HZPDHXFCSA-N 3 2 383.493 -1.996 20 0 GAADLP O=C(C[C@@H]1COCC[NH2+]1)N1CC[NH2+]CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC001122182299 1073844617 /nfs/dbraw/zinc/84/46/17/1073844617.db2.gz OAINJVZURDJZJG-IYBDPMFKSA-N 3 2 383.493 -1.996 20 0 GAADLP O=C(C[C@H]1C[NH2+]CCO1)N1CC[NH2+]CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC001122264968 1073845185 /nfs/dbraw/zinc/84/51/85/1073845185.db2.gz BCRZPYBZPBGWDR-HOTGVXAUSA-N 3 2 383.493 -1.996 20 0 GAADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC001122264970 1073845175 /nfs/dbraw/zinc/84/51/75/1073845175.db2.gz BCRZPYBZPBGWDR-HZPDHXFCSA-N 3 2 383.493 -1.996 20 0 GAADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CC[NH2+]CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC001122264972 1073845271 /nfs/dbraw/zinc/84/52/71/1073845271.db2.gz BCRZPYBZPBGWDR-IYBDPMFKSA-N 3 2 383.493 -1.996 20 0 GAADLP CN1CC[NH2+]C[C@H]1C(=O)N1CC[NH2+]CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001122265540 1073845228 /nfs/dbraw/zinc/84/52/28/1073845228.db2.gz QTNMSNPENIVMSC-HOTGVXAUSA-N 3 2 381.525 -2.946 20 0 GAADLP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH2+]CCN(C(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001122265541 1073845200 /nfs/dbraw/zinc/84/52/00/1073845200.db2.gz QTNMSNPENIVMSC-HZPDHXFCSA-N 3 2 381.525 -2.946 20 0 GAADLP CN1CC[NH2+]C[C@@H]1C(=O)N1CC[NH2+]CCN(C(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001122265542 1073845079 /nfs/dbraw/zinc/84/50/79/1073845079.db2.gz QTNMSNPENIVMSC-IYBDPMFKSA-N 3 2 381.525 -2.946 20 0 GAADLP C[NH+]1CCN(C(=O)CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001123991261 1073851361 /nfs/dbraw/zinc/85/13/61/1073851361.db2.gz UFTKARPBSFZIMP-INIZCTEOSA-N 2 2 395.504 -1.410 20 0 GAADLP C[NH+]1CCN(C(=O)CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001123991262 1073851446 /nfs/dbraw/zinc/85/14/46/1073851446.db2.gz UFTKARPBSFZIMP-MRXNPFEDSA-N 2 2 395.504 -1.410 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2n2ccnn2)O1 ZINC001129064960 1074866883 /nfs/dbraw/zinc/86/68/83/1074866883.db2.gz OPOOUOUIWOPZHB-LVQVYYBASA-N 2 2 382.465 -1.652 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2n2ccnn2)O1 ZINC001129064960 1074866878 /nfs/dbraw/zinc/86/68/78/1074866878.db2.gz OPOOUOUIWOPZHB-LVQVYYBASA-N 2 2 382.465 -1.652 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2n2ccnn2)O1 ZINC001129064960 1074866874 /nfs/dbraw/zinc/86/68/74/1074866874.db2.gz OPOOUOUIWOPZHB-LVQVYYBASA-N 2 2 382.465 -1.652 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCOCCO)C[C@@H]2n2ccnn2)O1 ZINC001129064960 1074866869 /nfs/dbraw/zinc/86/68/69/1074866869.db2.gz OPOOUOUIWOPZHB-LVQVYYBASA-N 2 2 382.465 -1.652 20 0 GAADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912373 1075020928 /nfs/dbraw/zinc/02/09/28/1075020928.db2.gz BIRUCPSBVUSFON-LVQVYYBASA-N 2 2 393.492 -1.183 20 0 GAADLP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912373 1075020924 /nfs/dbraw/zinc/02/09/24/1075020924.db2.gz BIRUCPSBVUSFON-LVQVYYBASA-N 2 2 393.492 -1.183 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NC3CC3)[C@@H](n3ccnn3)C2)O1 ZINC001129912385 1075021506 /nfs/dbraw/zinc/02/15/06/1075021506.db2.gz CBEKNTITFZSRTD-DMRZNYOFSA-N 2 2 391.476 -1.383 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)NC3CC3)[C@@H](n3ccnn3)C2)O1 ZINC001129912385 1075021504 /nfs/dbraw/zinc/02/15/04/1075021504.db2.gz CBEKNTITFZSRTD-DMRZNYOFSA-N 2 2 391.476 -1.383 20 0 GAADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912455 1075021434 /nfs/dbraw/zinc/02/14/34/1075021434.db2.gz HDELVONHYSAOOG-LVQVYYBASA-N 2 2 393.492 -1.135 20 0 GAADLP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912455 1075021432 /nfs/dbraw/zinc/02/14/32/1075021432.db2.gz HDELVONHYSAOOG-LVQVYYBASA-N 2 2 393.492 -1.135 20 0 GAADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912459 1075021399 /nfs/dbraw/zinc/02/13/99/1075021399.db2.gz HHGUICQTMYEXQV-APIJFGDWSA-N 2 2 379.465 -1.525 20 0 GAADLP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912459 1075021394 /nfs/dbraw/zinc/02/13/94/1075021394.db2.gz HHGUICQTMYEXQV-APIJFGDWSA-N 2 2 379.465 -1.525 20 0 GAADLP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912478 1075021325 /nfs/dbraw/zinc/02/13/25/1075021325.db2.gz JIZYEEVVXGEDKW-LVQVYYBASA-N 2 2 393.492 -1.137 20 0 GAADLP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912478 1075021323 /nfs/dbraw/zinc/02/13/23/1075021323.db2.gz JIZYEEVVXGEDKW-LVQVYYBASA-N 2 2 393.492 -1.137 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n3ccnn3)C2)O1 ZINC001129912560 1075021275 /nfs/dbraw/zinc/02/12/75/1075021275.db2.gz OGVUIYZHJKOXQK-APIJFGDWSA-N 2 2 379.465 -1.573 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n3ccnn3)C2)O1 ZINC001129912560 1075021271 /nfs/dbraw/zinc/02/12/71/1075021271.db2.gz OGVUIYZHJKOXQK-APIJFGDWSA-N 2 2 379.465 -1.573 20 0 GAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130614877 1075026154 /nfs/dbraw/zinc/02/61/54/1075026154.db2.gz FYHFNAMLRRUVDM-OCVGTWLNSA-N 2 2 378.477 -1.231 20 0 GAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130614877 1075026149 /nfs/dbraw/zinc/02/61/49/1075026149.db2.gz FYHFNAMLRRUVDM-OCVGTWLNSA-N 2 2 378.477 -1.231 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCO)O3)n[nH]2)O1 ZINC001130790150 1075027758 /nfs/dbraw/zinc/02/77/58/1075027758.db2.gz KFTJBHDHJFPWAG-XJFOESAGSA-N 2 2 382.465 -1.058 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCO)O3)n[nH]2)O1 ZINC001130790150 1075027754 /nfs/dbraw/zinc/02/77/54/1075027754.db2.gz KFTJBHDHJFPWAG-XJFOESAGSA-N 2 2 382.465 -1.058 20 0 GAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131015321 1075029238 /nfs/dbraw/zinc/02/92/38/1075029238.db2.gz VLVIQSGLKVQHNZ-IXYNUQLISA-N 2 2 378.477 -1.231 20 0 GAADLP CNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131015321 1075029233 /nfs/dbraw/zinc/02/92/33/1075029233.db2.gz VLVIQSGLKVQHNZ-IXYNUQLISA-N 2 2 378.477 -1.231 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cn3cccnc3=O)CC2)C1=O ZINC001141935578 1073876848 /nfs/dbraw/zinc/87/68/48/1073876848.db2.gz DNBSGNXPLZXIRE-UHFFFAOYSA-N 2 2 390.488 -1.060 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cn3cccnc3=O)CC2)C1=O ZINC001141935578 1073876838 /nfs/dbraw/zinc/87/68/38/1073876838.db2.gz DNBSGNXPLZXIRE-UHFFFAOYSA-N 2 2 390.488 -1.060 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1=O ZINC001142089452 1073879809 /nfs/dbraw/zinc/87/98/09/1073879809.db2.gz ZTKHQFMTEFHRSX-UHFFFAOYSA-N 2 2 394.476 -1.765 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CN3CC(=O)NC3=O)CC2)C1=O ZINC001142089452 1073879794 /nfs/dbraw/zinc/87/97/94/1073879794.db2.gz ZTKHQFMTEFHRSX-UHFFFAOYSA-N 2 2 394.476 -1.765 20 0 GAADLP CC(C)[N@@H+](C)CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001142590355 1074396212 /nfs/dbraw/zinc/39/62/12/1074396212.db2.gz VKSVJWIGIXQOKW-SJAJALHSSA-N 2 2 395.420 -2.267 20 0 GAADLP CC(C)[N@H+](C)CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001142590355 1074396204 /nfs/dbraw/zinc/39/62/04/1074396204.db2.gz VKSVJWIGIXQOKW-SJAJALHSSA-N 2 2 395.420 -2.267 20 0 GAADLP C[NH+]1CC(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)nc2N)C1 ZINC001142600292 1074398472 /nfs/dbraw/zinc/39/84/72/1074398472.db2.gz ORHDZUNLUUHAQB-BPTATDOASA-N 2 2 379.377 -3.045 20 0 GAADLP CN(CC(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1)C(N)=[NH2+] ZINC001144131144 1075054889 /nfs/dbraw/zinc/05/48/89/1075054889.db2.gz UDGAFQDHQWYDPY-UHFFFAOYSA-N 2 2 376.465 -1.482 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1=O ZINC001144333015 1075055900 /nfs/dbraw/zinc/05/59/00/1075055900.db2.gz ODMWMPRFOMGKBI-ZDUSSCGKSA-N 2 2 394.476 -1.719 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)C1=O ZINC001144333015 1075055894 /nfs/dbraw/zinc/05/58/94/1075055894.db2.gz ODMWMPRFOMGKBI-ZDUSSCGKSA-N 2 2 394.476 -1.719 20 0 GAADLP C1[NH2+]CC12CCOC[C@@H]2Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001155460861 1073917821 /nfs/dbraw/zinc/91/78/21/1073917821.db2.gz CJMJDOPQAOLVLK-AWEZNQCLSA-N 2 2 391.476 -1.243 20 0 GAADLP C1[NH2+]CC12CCOC[C@@H]2Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001155460861 1073917816 /nfs/dbraw/zinc/91/78/16/1073917816.db2.gz CJMJDOPQAOLVLK-AWEZNQCLSA-N 2 2 391.476 -1.243 20 0 GAADLP C1[NH2+]CC12CCOC[C@H]2Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001155460862 1073917679 /nfs/dbraw/zinc/91/76/79/1073917679.db2.gz CJMJDOPQAOLVLK-CQSZACIVSA-N 2 2 391.476 -1.243 20 0 GAADLP C1[NH2+]CC12CCOC[C@H]2Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001155460862 1073917667 /nfs/dbraw/zinc/91/76/67/1073917667.db2.gz CJMJDOPQAOLVLK-CQSZACIVSA-N 2 2 391.476 -1.243 20 0 GAADLP C(Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155483065 1073917733 /nfs/dbraw/zinc/91/77/33/1073917733.db2.gz NAIAFTZYMTZGMD-RBSFLKMASA-N 2 2 391.476 -1.387 20 0 GAADLP C(Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155483065 1073917724 /nfs/dbraw/zinc/91/77/24/1073917724.db2.gz NAIAFTZYMTZGMD-RBSFLKMASA-N 2 2 391.476 -1.387 20 0 GAADLP C(Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001155510339 1073917795 /nfs/dbraw/zinc/91/77/95/1073917795.db2.gz UBNOVXQYZVYKLB-KSSFIOAISA-N 2 2 391.476 -1.385 20 0 GAADLP C(Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001155510339 1073917787 /nfs/dbraw/zinc/91/77/87/1073917787.db2.gz UBNOVXQYZVYKLB-KSSFIOAISA-N 2 2 391.476 -1.385 20 0 GAADLP C(Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155537511 1073918516 /nfs/dbraw/zinc/91/85/16/1073918516.db2.gz NCHAWWAJVSEFTN-CXAGYDPISA-N 2 2 377.449 -1.491 20 0 GAADLP C(Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155537511 1073918510 /nfs/dbraw/zinc/91/85/10/1073918510.db2.gz NCHAWWAJVSEFTN-CXAGYDPISA-N 2 2 377.449 -1.491 20 0 GAADLP NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001157308930 1073924328 /nfs/dbraw/zinc/92/43/28/1073924328.db2.gz AWFUSWQKNLJTQM-CVEARBPZSA-N 2 2 390.488 -1.934 20 0 GAADLP NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001157308931 1073924279 /nfs/dbraw/zinc/92/42/79/1073924279.db2.gz AWFUSWQKNLJTQM-HOTGVXAUSA-N 2 2 390.488 -1.934 20 0 GAADLP Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CC[NH3+])ccc12 ZINC001157364918 1073924484 /nfs/dbraw/zinc/92/44/84/1073924484.db2.gz NNIBQRSOBHNDEC-ZDUSSCGKSA-N 2 2 389.412 -1.052 20 0 GAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157999286 1073930016 /nfs/dbraw/zinc/93/00/16/1073930016.db2.gz PXYCLNFTDAUGQB-JTQLQIEISA-N 2 2 386.409 -4.343 20 0 GAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001157999287 1073929683 /nfs/dbraw/zinc/92/96/83/1073929683.db2.gz PXYCLNFTDAUGQB-SNVBAGLBSA-N 2 2 386.409 -4.343 20 0 GAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158000443 1073930061 /nfs/dbraw/zinc/93/00/61/1073930061.db2.gz XJQFFBUAALINPL-KKUMJFAQSA-N 3 2 383.493 -1.203 20 0 GAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001158000444 1073929938 /nfs/dbraw/zinc/92/99/38/1073929938.db2.gz XJQFFBUAALINPL-SOUVJXGZSA-N 3 2 383.493 -1.203 20 0 GAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001158000511 1073930080 /nfs/dbraw/zinc/93/00/80/1073930080.db2.gz YNRIRSKQIKPELC-GXTWGEPZSA-N 2 2 378.433 -1.323 20 0 GAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCNC(=O)c1cnccn1 ZINC001158000514 1073929797 /nfs/dbraw/zinc/92/97/97/1073929797.db2.gz YNRIRSKQIKPELC-JSGCOSHPSA-N 2 2 378.433 -1.323 20 0 GAADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001158007235 1073929999 /nfs/dbraw/zinc/92/99/99/1073929999.db2.gz RXYSXZCNQFTWLE-AVGNSLFASA-N 2 2 383.449 -2.196 20 0 GAADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001158007236 1073930051 /nfs/dbraw/zinc/93/00/51/1073930051.db2.gz RXYSXZCNQFTWLE-RWMBFGLXSA-N 2 2 383.449 -2.196 20 0 GAADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])CC2 ZINC001158346663 1073932970 /nfs/dbraw/zinc/93/29/70/1073932970.db2.gz BJZGTICZSUNWFR-UHFFFAOYSA-N 2 2 379.421 -3.047 20 0 GAADLP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC001158380570 1073933535 /nfs/dbraw/zinc/93/35/35/1073933535.db2.gz FPLCFAWBRNQLEC-CABCVRRESA-N 2 2 392.378 -1.038 20 0 GAADLP CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC001158380571 1073933557 /nfs/dbraw/zinc/93/35/57/1073933557.db2.gz FPLCFAWBRNQLEC-GJZGRUSLSA-N 2 2 392.378 -1.038 20 0 GAADLP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC001158380572 1073933464 /nfs/dbraw/zinc/93/34/64/1073933464.db2.gz FPLCFAWBRNQLEC-HUUCEWRRSA-N 2 2 392.378 -1.038 20 0 GAADLP CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)CN1CC[NH2+]CC1=O)C2 ZINC001158380573 1073933663 /nfs/dbraw/zinc/93/36/63/1073933663.db2.gz FPLCFAWBRNQLEC-LSDHHAIUSA-N 2 2 392.378 -1.038 20 0 GAADLP COCC[NH+]1CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC001158604455 1073934703 /nfs/dbraw/zinc/93/47/03/1073934703.db2.gz NCYWEDPFZSGZNV-IRXDYDNUSA-N 2 2 394.472 -1.470 20 0 GAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C1 ZINC001158630130 1073934575 /nfs/dbraw/zinc/93/45/75/1073934575.db2.gz MHAUNENQZXISBR-KBPBESRZSA-N 2 2 391.476 -1.161 20 0 GAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C1 ZINC001158630138 1073934785 /nfs/dbraw/zinc/93/47/85/1073934785.db2.gz MHAUNENQZXISBR-KGLIPLIRSA-N 2 2 391.476 -1.161 20 0 GAADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630205 1073935402 /nfs/dbraw/zinc/93/54/02/1073935402.db2.gz NKMUPXMOQLFFDJ-KBPBESRZSA-N 2 2 391.476 -1.304 20 0 GAADLP Cn1c[nH+]cc1C[C@H](N)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001158734853 1073935929 /nfs/dbraw/zinc/93/59/29/1073935929.db2.gz GOPMNFLBKZJPCG-LBPRGKRZSA-N 2 2 382.446 -1.088 20 0 GAADLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001158855532 1073938503 /nfs/dbraw/zinc/93/85/03/1073938503.db2.gz GVXNZPDWZISCNF-AAEUAGOBSA-N 2 2 393.492 -1.158 20 0 GAADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])C2 ZINC001158855532 1073938497 /nfs/dbraw/zinc/93/84/97/1073938497.db2.gz GVXNZPDWZISCNF-AAEUAGOBSA-N 2 2 393.492 -1.158 20 0 GAADLP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001158990566 1073942274 /nfs/dbraw/zinc/94/22/74/1073942274.db2.gz DRFPWEXAIRMJRG-AZAGILFBSA-N 2 2 376.461 -1.174 20 0 GAADLP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001158990567 1073942204 /nfs/dbraw/zinc/94/22/04/1073942204.db2.gz DRFPWEXAIRMJRG-DRRHNWJESA-N 2 2 376.461 -1.174 20 0 GAADLP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001158990712 1073942110 /nfs/dbraw/zinc/94/21/10/1073942110.db2.gz FIFIARFRPZZFKM-DARAHFNDSA-N 2 2 376.461 -1.446 20 0 GAADLP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001158990713 1073942236 /nfs/dbraw/zinc/94/22/36/1073942236.db2.gz FIFIARFRPZZFKM-LQKXBSAESA-N 2 2 376.461 -1.446 20 0 GAADLP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001158991446 1073942303 /nfs/dbraw/zinc/94/23/03/1073942303.db2.gz MJWLEBOWGAITAN-BBRMVZONSA-N 2 2 389.460 -1.092 20 0 GAADLP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001158991450 1073942929 /nfs/dbraw/zinc/94/29/29/1073942929.db2.gz MJWLEBOWGAITAN-CJNGLKHVSA-N 2 2 389.460 -1.092 20 0 GAADLP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001158991541 1073943168 /nfs/dbraw/zinc/94/31/68/1073943168.db2.gz NWMUJZSGZBKEOB-GLJUWKHASA-N 2 2 376.461 -1.444 20 0 GAADLP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001158991542 1073943144 /nfs/dbraw/zinc/94/31/44/1073943144.db2.gz NWMUJZSGZBKEOB-HBUWYVDXSA-N 2 2 376.461 -1.444 20 0 GAADLP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001158991543 1073942862 /nfs/dbraw/zinc/94/28/62/1073942862.db2.gz NWMUJZSGZBKEOB-LBTNJELSSA-N 2 2 376.461 -1.444 20 0 GAADLP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001158991545 1073942762 /nfs/dbraw/zinc/94/27/62/1073942762.db2.gz NWMUJZSGZBKEOB-QWQRMKEZSA-N 2 2 376.461 -1.444 20 0 GAADLP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001158992337 1073942889 /nfs/dbraw/zinc/94/28/89/1073942889.db2.gz VTFHLNRYFPWLBJ-DOMZBBRYSA-N 2 2 375.433 -1.103 20 0 GAADLP COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001158992339 1073942684 /nfs/dbraw/zinc/94/26/84/1073942684.db2.gz VTFHLNRYFPWLBJ-IUODEOHRSA-N 2 2 375.433 -1.103 20 0 GAADLP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001158992340 1073943048 /nfs/dbraw/zinc/94/30/48/1073943048.db2.gz VTFHLNRYFPWLBJ-SWLSCSKDSA-N 2 2 375.433 -1.103 20 0 GAADLP COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001158992341 1073942631 /nfs/dbraw/zinc/94/26/31/1073942631.db2.gz VTFHLNRYFPWLBJ-WFASDCNBSA-N 2 2 375.433 -1.103 20 0 GAADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001159073717 1073943562 /nfs/dbraw/zinc/94/35/62/1073943562.db2.gz BAYDEIBFEIGXDF-AWEZNQCLSA-N 2 2 392.460 -1.417 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)CC2 ZINC001159073895 1073943607 /nfs/dbraw/zinc/94/36/07/1073943607.db2.gz FBFTWBIUELOMJG-TZMCWYRMSA-N 2 2 376.461 -1.585 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC2 ZINC001159073898 1073943570 /nfs/dbraw/zinc/94/35/70/1073943570.db2.gz FCQFYHMMFVESGM-AWEZNQCLSA-N 3 2 377.493 -1.241 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]([NH3+])CCC[NH3+])CC2 ZINC001159073899 1073944193 /nfs/dbraw/zinc/94/41/93/1073944193.db2.gz FCQFYHMMFVESGM-CQSZACIVSA-N 3 2 377.493 -1.241 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C[NH2+]CCC[NH3+])CC2 ZINC001159074010 1073944321 /nfs/dbraw/zinc/94/43/21/1073944321.db2.gz HAWWSEUDHYYYDT-UHFFFAOYSA-N 3 2 377.493 -1.369 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC001159074013 1073944385 /nfs/dbraw/zinc/94/43/85/1073944385.db2.gz HGOPVROPLOQNFE-DZGCQCFKSA-N 2 2 376.461 -1.727 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001159074015 1073944375 /nfs/dbraw/zinc/94/43/75/1073944375.db2.gz HGOPVROPLOQNFE-HIFRSBDPSA-N 2 2 376.461 -1.727 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC001159074016 1073944302 /nfs/dbraw/zinc/94/43/02/1073944302.db2.gz HGOPVROPLOQNFE-UKRRQHHQSA-N 2 2 376.461 -1.727 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC001159074018 1073944167 /nfs/dbraw/zinc/94/41/67/1073944167.db2.gz HGOPVROPLOQNFE-ZFWWWQNUSA-N 2 2 376.461 -1.727 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CN1CC[NH2+]CC1)CC2 ZINC001159074642 1073944247 /nfs/dbraw/zinc/94/42/47/1073944247.db2.gz ICRPXFNLERZOLK-UHFFFAOYSA-N 2 2 389.504 -1.402 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@]1(N)CC[NH2+]C1)CC2 ZINC001159075273 1073944261 /nfs/dbraw/zinc/94/42/61/1073944261.db2.gz LVSYKSWNQKXWAY-GOSISDBHSA-N 2 2 375.477 -1.617 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@]1(N)CC[NH2+]C1)CC2 ZINC001159075276 1073944398 /nfs/dbraw/zinc/94/43/98/1073944398.db2.gz LVSYKSWNQKXWAY-SFHVURJKSA-N 2 2 375.477 -1.617 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1C[NH2+]CCN1)CC2 ZINC001159076140 1073944331 /nfs/dbraw/zinc/94/43/31/1073944331.db2.gz RWLMADYOOGPQFE-AWEZNQCLSA-N 2 2 375.477 -1.746 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1C[NH2+]CCN1)CC2 ZINC001159076142 1073944408 /nfs/dbraw/zinc/94/44/08/1073944408.db2.gz RWLMADYOOGPQFE-CQSZACIVSA-N 2 2 375.477 -1.746 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1(N)CC[NH2+]CC1)CC2 ZINC001159076835 1073944180 /nfs/dbraw/zinc/94/41/80/1073944180.db2.gz YMMGPJGZWUTDIW-UHFFFAOYSA-N 2 2 389.504 -1.227 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@]1(N)CCC[NH2+]C1)CC2 ZINC001159076849 1073944853 /nfs/dbraw/zinc/94/48/53/1073944853.db2.gz ZABNSQOCCIUESM-IBGZPJMESA-N 2 2 389.504 -1.227 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@]1(N)CCC[NH2+]C1)CC2 ZINC001159076850 1073944837 /nfs/dbraw/zinc/94/48/37/1073944837.db2.gz ZABNSQOCCIUESM-LJQANCHMSA-N 2 2 389.504 -1.227 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)CC2 ZINC001159076860 1073944823 /nfs/dbraw/zinc/94/48/23/1073944823.db2.gz ZMYRXJWLZMUKSP-HOCLYGCPSA-N 2 2 376.461 -1.585 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1[NH2+]CC[C@H]1O)CC2 ZINC001159076861 1073944970 /nfs/dbraw/zinc/94/49/70/1073944970.db2.gz ZMYRXJWLZMUKSP-ZBFHGGJFSA-N 2 2 376.461 -1.585 20 0 GAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001159077659 1073944792 /nfs/dbraw/zinc/94/47/92/1073944792.db2.gz RXMZGMFODBHDGU-DAYGRLMNSA-N 2 2 396.488 -1.428 20 0 GAADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001159077673 1073944866 /nfs/dbraw/zinc/94/48/66/1073944866.db2.gz RXMZGMFODBHDGU-MPGHIAIKSA-N 2 2 396.488 -1.428 20 0 GAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001159077675 1073944996 /nfs/dbraw/zinc/94/49/96/1073944996.db2.gz RXMZGMFODBHDGU-RKVPGOIHSA-N 2 2 396.488 -1.428 20 0 GAADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001159077677 1073944807 /nfs/dbraw/zinc/94/48/07/1073944807.db2.gz RXMZGMFODBHDGU-VKJFTORMSA-N 2 2 396.488 -1.428 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3cncn3C)C2)C1 ZINC001159122848 1073945769 /nfs/dbraw/zinc/94/57/69/1073945769.db2.gz BJOIQKLATCEXNZ-LPHOPBHVSA-N 2 2 392.504 -1.023 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3cncn3C)C2)C1 ZINC001159122848 1073945764 /nfs/dbraw/zinc/94/57/64/1073945764.db2.gz BJOIQKLATCEXNZ-LPHOPBHVSA-N 2 2 392.504 -1.023 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3cncn3C)C2)C1 ZINC001159122849 1073945669 /nfs/dbraw/zinc/94/56/69/1073945669.db2.gz BJOIQKLATCEXNZ-QFBILLFUSA-N 2 2 392.504 -1.023 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])Cc3cncn3C)C2)C1 ZINC001159122849 1073945660 /nfs/dbraw/zinc/94/56/60/1073945660.db2.gz BJOIQKLATCEXNZ-QFBILLFUSA-N 2 2 392.504 -1.023 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C2)C1 ZINC001159123523 1073945871 /nfs/dbraw/zinc/94/58/71/1073945871.db2.gz JHEABEMTYYTJNG-CRAIPNDOSA-N 2 2 395.504 -1.996 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C2)C1 ZINC001159123523 1073945868 /nfs/dbraw/zinc/94/58/68/1073945868.db2.gz JHEABEMTYYTJNG-CRAIPNDOSA-N 2 2 395.504 -1.996 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C2)C1 ZINC001159123525 1073945890 /nfs/dbraw/zinc/94/58/90/1073945890.db2.gz JHEABEMTYYTJNG-MAUKXSAKSA-N 2 2 395.504 -1.996 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C2)C1 ZINC001159123525 1073945884 /nfs/dbraw/zinc/94/58/84/1073945884.db2.gz JHEABEMTYYTJNG-MAUKXSAKSA-N 2 2 395.504 -1.996 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C2)C1 ZINC001159123526 1073945709 /nfs/dbraw/zinc/94/57/09/1073945709.db2.gz JHEABEMTYYTJNG-QAPCUYQASA-N 2 2 395.504 -1.996 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3COC4(C[NH2+]C4)CN3)C2)C1 ZINC001159123526 1073945705 /nfs/dbraw/zinc/94/57/05/1073945705.db2.gz JHEABEMTYYTJNG-QAPCUYQASA-N 2 2 395.504 -1.996 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C2)C1 ZINC001159123527 1073945750 /nfs/dbraw/zinc/94/57/50/1073945750.db2.gz JHEABEMTYYTJNG-YJBOKZPZSA-N 2 2 395.504 -1.996 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3COC4(C[NH2+]C4)CN3)C2)C1 ZINC001159123527 1073945747 /nfs/dbraw/zinc/94/57/47/1073945747.db2.gz JHEABEMTYYTJNG-YJBOKZPZSA-N 2 2 395.504 -1.996 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001159123945 1073946325 /nfs/dbraw/zinc/94/63/25/1073946325.db2.gz LCMXTXNORGPBOC-CRAIPNDOSA-N 3 2 379.505 -1.518 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001159123945 1073946320 /nfs/dbraw/zinc/94/63/20/1073946320.db2.gz LCMXTXNORGPBOC-CRAIPNDOSA-N 3 2 379.505 -1.518 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001159123946 1073946564 /nfs/dbraw/zinc/94/65/64/1073946564.db2.gz LCMXTXNORGPBOC-MAUKXSAKSA-N 3 2 379.505 -1.518 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001159123946 1073946561 /nfs/dbraw/zinc/94/65/61/1073946561.db2.gz LCMXTXNORGPBOC-MAUKXSAKSA-N 3 2 379.505 -1.518 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001159123947 1073946508 /nfs/dbraw/zinc/94/65/08/1073946508.db2.gz LCMXTXNORGPBOC-QAPCUYQASA-N 3 2 379.505 -1.518 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001159123947 1073946502 /nfs/dbraw/zinc/94/65/02/1073946502.db2.gz LCMXTXNORGPBOC-QAPCUYQASA-N 3 2 379.505 -1.518 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001159123948 1073946491 /nfs/dbraw/zinc/94/64/91/1073946491.db2.gz LCMXTXNORGPBOC-YJBOKZPZSA-N 3 2 379.505 -1.518 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)C2)C1 ZINC001159123948 1073946487 /nfs/dbraw/zinc/94/64/87/1073946487.db2.gz LCMXTXNORGPBOC-YJBOKZPZSA-N 3 2 379.505 -1.518 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C2)C1 ZINC001159124570 1073946450 /nfs/dbraw/zinc/94/64/50/1073946450.db2.gz OKHOSUHITQUNBG-LSTHTHJFSA-N 3 2 393.532 -1.128 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C2)C1 ZINC001159124570 1073946445 /nfs/dbraw/zinc/94/64/45/1073946445.db2.gz OKHOSUHITQUNBG-LSTHTHJFSA-N 3 2 393.532 -1.128 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C2)C1 ZINC001159124574 1073946593 /nfs/dbraw/zinc/94/65/93/1073946593.db2.gz OKHOSUHITQUNBG-NSISKUIASA-N 3 2 393.532 -1.128 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@]34C[NH2+]C[C@H]3C[NH2+]CC4)C2)C1 ZINC001159124574 1073946589 /nfs/dbraw/zinc/94/65/89/1073946589.db2.gz OKHOSUHITQUNBG-NSISKUIASA-N 3 2 393.532 -1.128 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2)C1 ZINC001159124910 1073946359 /nfs/dbraw/zinc/94/63/59/1073946359.db2.gz RWIFITJJINIRSA-KDOFPFPSSA-N 2 2 398.508 -1.551 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2)C1 ZINC001159124910 1073946351 /nfs/dbraw/zinc/94/63/51/1073946351.db2.gz RWIFITJJINIRSA-KDOFPFPSSA-N 2 2 398.508 -1.551 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2)C1 ZINC001159124911 1073946549 /nfs/dbraw/zinc/94/65/49/1073946549.db2.gz RWIFITJJINIRSA-RDTXWAMCSA-N 2 2 398.508 -1.551 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]([NH3+])CCCNC(N)=O)C2)C1 ZINC001159124911 1073946543 /nfs/dbraw/zinc/94/65/43/1073946543.db2.gz RWIFITJJINIRSA-RDTXWAMCSA-N 2 2 398.508 -1.551 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C2)C1 ZINC001159125346 1073946580 /nfs/dbraw/zinc/94/65/80/1073946580.db2.gz VDRVQMFDFSEYSU-GGXPGOJBSA-N 2 2 379.505 -1.377 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C2)C1 ZINC001159125346 1073946575 /nfs/dbraw/zinc/94/65/75/1073946575.db2.gz VDRVQMFDFSEYSU-GGXPGOJBSA-N 2 2 379.505 -1.377 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C2)C1 ZINC001159125347 1073946405 /nfs/dbraw/zinc/94/64/05/1073946405.db2.gz VDRVQMFDFSEYSU-YIOZNXECSA-N 2 2 379.505 -1.377 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)C2)C1 ZINC001159125347 1073946399 /nfs/dbraw/zinc/94/63/99/1073946399.db2.gz VDRVQMFDFSEYSU-YIOZNXECSA-N 2 2 379.505 -1.377 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CC[C@H]([NH3+])C(=O)OC)C2)C1 ZINC001159125398 1073946523 /nfs/dbraw/zinc/94/65/23/1073946523.db2.gz WHDPZMGRTAIMRF-KBXCAEBGSA-N 2 2 384.477 -1.046 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CC[C@H]([NH3+])C(=O)OC)C2)C1 ZINC001159125398 1073946521 /nfs/dbraw/zinc/94/65/21/1073946521.db2.gz WHDPZMGRTAIMRF-KBXCAEBGSA-N 2 2 384.477 -1.046 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CC[C@H]([NH3+])C(=O)OC)C2)C1 ZINC001159125399 1073946475 /nfs/dbraw/zinc/94/64/75/1073946475.db2.gz WHDPZMGRTAIMRF-KSSFIOAISA-N 2 2 384.477 -1.046 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CC[C@H]([NH3+])C(=O)OC)C2)C1 ZINC001159125399 1073946470 /nfs/dbraw/zinc/94/64/70/1073946470.db2.gz WHDPZMGRTAIMRF-KSSFIOAISA-N 2 2 384.477 -1.046 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)C1 ZINC001159126030 1073946533 /nfs/dbraw/zinc/94/65/33/1073946533.db2.gz KISIRPLJOIUDHR-WMLDXEAASA-N 3 2 387.550 -1.307 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)C1 ZINC001159126030 1073946531 /nfs/dbraw/zinc/94/65/31/1073946531.db2.gz KISIRPLJOIUDHR-WMLDXEAASA-N 3 2 387.550 -1.307 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)C1 ZINC001159126031 1073946428 /nfs/dbraw/zinc/94/64/28/1073946428.db2.gz KISIRPLJOIUDHR-YOEHRIQHSA-N 3 2 387.550 -1.307 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C2)C1 ZINC001159126031 1073946421 /nfs/dbraw/zinc/94/64/21/1073946421.db2.gz KISIRPLJOIUDHR-YOEHRIQHSA-N 3 2 387.550 -1.307 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C2)C1 ZINC001159126260 1073946620 /nfs/dbraw/zinc/94/66/20/1073946620.db2.gz NEPNXFNONJBIOJ-HNAYVOBHSA-N 2 2 395.504 -1.377 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C2)C1 ZINC001159126260 1073946615 /nfs/dbraw/zinc/94/66/15/1073946615.db2.gz NEPNXFNONJBIOJ-HNAYVOBHSA-N 2 2 395.504 -1.377 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C2)C1 ZINC001159126261 1073946640 /nfs/dbraw/zinc/94/66/40/1073946640.db2.gz NEPNXFNONJBIOJ-KXBFYZLASA-N 2 2 395.504 -1.377 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCN3C(=O)C[NH3+])C2)C1 ZINC001159126261 1073946634 /nfs/dbraw/zinc/94/66/34/1073946634.db2.gz NEPNXFNONJBIOJ-KXBFYZLASA-N 2 2 395.504 -1.377 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2)C1 ZINC001159127662 1073947233 /nfs/dbraw/zinc/94/72/33/1073947233.db2.gz UTLWXNXIFFUZQX-DEYYWGMASA-N 2 2 399.492 -2.502 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2)C1 ZINC001159127662 1073947228 /nfs/dbraw/zinc/94/72/28/1073947228.db2.gz UTLWXNXIFFUZQX-DEYYWGMASA-N 2 2 399.492 -2.502 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2)C1 ZINC001159127663 1073947428 /nfs/dbraw/zinc/94/74/28/1073947428.db2.gz UTLWXNXIFFUZQX-SUNYJGFJSA-N 2 2 399.492 -2.502 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2)C1 ZINC001159127663 1073947420 /nfs/dbraw/zinc/94/74/20/1073947420.db2.gz UTLWXNXIFFUZQX-SUNYJGFJSA-N 2 2 399.492 -2.502 20 0 GAADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CC2 ZINC001159189528 1073947464 /nfs/dbraw/zinc/94/74/64/1073947464.db2.gz DDHOZWZZEIUMIV-JTQLQIEISA-N 2 2 377.409 -2.066 20 0 GAADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001159190341 1073947266 /nfs/dbraw/zinc/94/72/66/1073947266.db2.gz JFNHWUVDJHPTPL-KPZWWZAWSA-N 3 2 376.461 -1.198 20 0 GAADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001159190345 1073947847 /nfs/dbraw/zinc/94/78/47/1073947847.db2.gz JFNHWUVDJHPTPL-KZULUSFZSA-N 3 2 376.461 -1.198 20 0 GAADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001159190348 1073948135 /nfs/dbraw/zinc/94/81/35/1073948135.db2.gz JFNHWUVDJHPTPL-SGTLLEGYSA-N 3 2 376.461 -1.198 20 0 GAADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001159190351 1073948012 /nfs/dbraw/zinc/94/80/12/1073948012.db2.gz JFNHWUVDJHPTPL-XIKOKIGWSA-N 3 2 376.461 -1.198 20 0 GAADLP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001159191008 1073948157 /nfs/dbraw/zinc/94/81/57/1073948157.db2.gz PXHZKCGRUQDQIQ-FPMFFAJLSA-N 3 2 376.461 -1.199 20 0 GAADLP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159224068 1073948722 /nfs/dbraw/zinc/94/87/22/1073948722.db2.gz GYGUEUNVFRSDHV-DEYYWGMASA-N 2 2 386.460 -1.013 20 0 GAADLP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159224069 1073948832 /nfs/dbraw/zinc/94/88/32/1073948832.db2.gz GYGUEUNVFRSDHV-GLJUWKHASA-N 2 2 386.460 -1.013 20 0 GAADLP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001159224070 1073948771 /nfs/dbraw/zinc/94/87/71/1073948771.db2.gz GYGUEUNVFRSDHV-QWQRMKEZSA-N 2 2 386.460 -1.013 20 0 GAADLP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001159224071 1073948839 /nfs/dbraw/zinc/94/88/39/1073948839.db2.gz GYGUEUNVFRSDHV-SUNYJGFJSA-N 2 2 386.460 -1.013 20 0 GAADLP COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001159225242 1073948787 /nfs/dbraw/zinc/94/87/87/1073948787.db2.gz QKAYEFSZHYSJQS-CYUUQNCZSA-N 2 2 386.460 -1.014 20 0 GAADLP COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001159225243 1073948607 /nfs/dbraw/zinc/94/86/07/1073948607.db2.gz QKAYEFSZHYSJQS-PMOUVXMZSA-N 2 2 386.460 -1.014 20 0 GAADLP [NH3+]CC[C@H]([NH3+])C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001159393690 1073949980 /nfs/dbraw/zinc/94/99/80/1073949980.db2.gz IGKHWUUZEUKUBB-MELADBBJSA-N 3 2 394.501 -1.506 20 0 GAADLP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458908 1073950653 /nfs/dbraw/zinc/95/06/53/1073950653.db2.gz ROKHWLDPIZFEMV-RFQIPJPRSA-N 2 2 388.490 -2.217 20 0 GAADLP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458909 1073950743 /nfs/dbraw/zinc/95/07/43/1073950743.db2.gz ROKHWLDPIZFEMV-YIYPIFLZSA-N 2 2 388.490 -2.217 20 0 GAADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CCC2 ZINC001159481484 1073951505 /nfs/dbraw/zinc/95/15/05/1073951505.db2.gz RCWHJKYOPORETJ-ZDUSSCGKSA-N 2 2 389.464 -1.101 20 0 GAADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CCC2 ZINC001159481484 1073951500 /nfs/dbraw/zinc/95/15/00/1073951500.db2.gz RCWHJKYOPORETJ-ZDUSSCGKSA-N 2 2 389.464 -1.101 20 0 GAADLP C[C@H](Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)[C@@H]1C[NH2+]CCO1 ZINC001159489669 1073951537 /nfs/dbraw/zinc/95/15/37/1073951537.db2.gz QCSNUBWPMSCNHF-KBPBESRZSA-N 2 2 379.465 -1.245 20 0 GAADLP C[C@H](Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159489669 1073951533 /nfs/dbraw/zinc/95/15/33/1073951533.db2.gz QCSNUBWPMSCNHF-KBPBESRZSA-N 2 2 379.465 -1.245 20 0 GAADLP C[C@@H](Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)[C@@H]1C[NH2+]CCO1 ZINC001159489673 1073951479 /nfs/dbraw/zinc/95/14/79/1073951479.db2.gz QCSNUBWPMSCNHF-KGLIPLIRSA-N 2 2 379.465 -1.245 20 0 GAADLP C[C@@H](Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159489673 1073951474 /nfs/dbraw/zinc/95/14/74/1073951474.db2.gz QCSNUBWPMSCNHF-KGLIPLIRSA-N 2 2 379.465 -1.245 20 0 GAADLP C[C@H](Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)[C@H]1C[NH2+]CCO1 ZINC001159489675 1073951436 /nfs/dbraw/zinc/95/14/36/1073951436.db2.gz QCSNUBWPMSCNHF-UONOGXRCSA-N 2 2 379.465 -1.245 20 0 GAADLP C[C@H](Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159489675 1073951427 /nfs/dbraw/zinc/95/14/27/1073951427.db2.gz QCSNUBWPMSCNHF-UONOGXRCSA-N 2 2 379.465 -1.245 20 0 GAADLP C[C@@H](Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)[C@H]1C[NH2+]CCO1 ZINC001159489677 1073951521 /nfs/dbraw/zinc/95/15/21/1073951521.db2.gz QCSNUBWPMSCNHF-ZIAGYGMSSA-N 2 2 379.465 -1.245 20 0 GAADLP C[C@@H](Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159489677 1073951516 /nfs/dbraw/zinc/95/15/16/1073951516.db2.gz QCSNUBWPMSCNHF-ZIAGYGMSSA-N 2 2 379.465 -1.245 20 0 GAADLP CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C2)C1=O ZINC001159492194 1073951314 /nfs/dbraw/zinc/95/13/14/1073951314.db2.gz JYGHHQOBOPUUJL-XTDOFWJNSA-N 2 2 377.489 -1.134 20 0 GAADLP CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C2)C1=O ZINC001159492195 1073951574 /nfs/dbraw/zinc/95/15/74/1073951574.db2.gz JYGHHQOBOPUUJL-ZTENYAIWSA-N 2 2 377.489 -1.134 20 0 GAADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159493415 1073952137 /nfs/dbraw/zinc/95/21/37/1073952137.db2.gz OEOYENCXGZPQCG-AWEZNQCLSA-N 2 2 391.476 -1.525 20 0 GAADLP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159493416 1073952192 /nfs/dbraw/zinc/95/21/92/1073952192.db2.gz OEOYENCXGZPQCG-CQSZACIVSA-N 2 2 391.476 -1.525 20 0 GAADLP CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C2)C1=O ZINC001159493658 1073952087 /nfs/dbraw/zinc/95/20/87/1073952087.db2.gz VCEPPWGDGFYNKS-CCKFTAQKSA-N 2 2 377.489 -1.133 20 0 GAADLP CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C2)C1=O ZINC001159493659 1073952003 /nfs/dbraw/zinc/95/20/03/1073952003.db2.gz VCEPPWGDGFYNKS-JVPBZIDWSA-N 2 2 377.489 -1.133 20 0 GAADLP CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C2)C1=O ZINC001159493660 1073951967 /nfs/dbraw/zinc/95/19/67/1073951967.db2.gz VCEPPWGDGFYNKS-MDASCCDHSA-N 2 2 377.489 -1.133 20 0 GAADLP CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C2)C1=O ZINC001159493661 1073952120 /nfs/dbraw/zinc/95/21/20/1073952120.db2.gz VCEPPWGDGFYNKS-ZOCIIQOWSA-N 2 2 377.489 -1.133 20 0 GAADLP CS(=O)(=O)N(CC[NH3+])CC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514542 1073952769 /nfs/dbraw/zinc/95/27/69/1073952769.db2.gz GEEWEELPYDSJEJ-UHFFFAOYSA-N 2 2 396.477 -1.525 20 0 GAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001159514569 1073952663 /nfs/dbraw/zinc/95/26/63/1073952663.db2.gz GUWOHGZKGBTRSG-RYUDHWBXSA-N 2 2 376.421 -1.921 20 0 GAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001159528244 1073952588 /nfs/dbraw/zinc/95/25/88/1073952588.db2.gz GFMGAXLBEOUXGY-CVEARBPZSA-N 2 2 392.504 -1.244 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]CCN1)C2 ZINC001159528246 1073952800 /nfs/dbraw/zinc/95/28/00/1073952800.db2.gz GFMGAXLBEOUXGY-HOTGVXAUSA-N 2 2 392.504 -1.244 20 0 GAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[NH2+]CCN1)C2 ZINC001159528248 1073952786 /nfs/dbraw/zinc/95/27/86/1073952786.db2.gz GFMGAXLBEOUXGY-HZPDHXFCSA-N 2 2 392.504 -1.244 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[NH2+]CCN1)C2 ZINC001159528250 1073952678 /nfs/dbraw/zinc/95/26/78/1073952678.db2.gz GFMGAXLBEOUXGY-JKSUJKDBSA-N 2 2 392.504 -1.244 20 0 GAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001159528890 1073952779 /nfs/dbraw/zinc/95/27/79/1073952779.db2.gz IMSVRPKMPFOYKX-CABCVRRESA-N 2 2 381.477 -1.096 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001159528891 1073953151 /nfs/dbraw/zinc/95/31/51/1073953151.db2.gz IMSVRPKMPFOYKX-GJZGRUSLSA-N 2 2 381.477 -1.096 20 0 GAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001159528892 1073953203 /nfs/dbraw/zinc/95/32/03/1073953203.db2.gz IMSVRPKMPFOYKX-HUUCEWRRSA-N 2 2 381.477 -1.096 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001159528893 1073953297 /nfs/dbraw/zinc/95/32/97/1073953297.db2.gz IMSVRPKMPFOYKX-LSDHHAIUSA-N 2 2 381.477 -1.096 20 0 GAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1[NH2+]CC[C@H]1O)C2 ZINC001159529848 1073953283 /nfs/dbraw/zinc/95/32/83/1073953283.db2.gz MQHVPWGSGBLYEO-OIISXLGYSA-N 2 2 393.488 -1.083 20 0 GAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001159529850 1073953271 /nfs/dbraw/zinc/95/32/71/1073953271.db2.gz MQHVPWGSGBLYEO-PVAVHDDUSA-N 2 2 393.488 -1.083 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1[NH2+]CC[C@H]1O)C2 ZINC001159529852 1073953329 /nfs/dbraw/zinc/95/33/29/1073953329.db2.gz MQHVPWGSGBLYEO-UAGQMJEPSA-N 2 2 393.488 -1.083 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001159529854 1073953361 /nfs/dbraw/zinc/95/33/61/1073953361.db2.gz MQHVPWGSGBLYEO-XIRDDKMYSA-N 2 2 393.488 -1.083 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001159530176 1073953107 /nfs/dbraw/zinc/95/31/07/1073953107.db2.gz SETFLXZMSDFNRV-ARFHVFGLSA-N 2 2 393.488 -1.083 20 0 GAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001159530177 1073953218 /nfs/dbraw/zinc/95/32/18/1073953218.db2.gz SETFLXZMSDFNRV-BZUAXINKSA-N 2 2 393.488 -1.083 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001159530178 1073953348 /nfs/dbraw/zinc/95/33/48/1073953348.db2.gz SETFLXZMSDFNRV-JYJNAYRXSA-N 2 2 393.488 -1.083 20 0 GAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001159530179 1073953260 /nfs/dbraw/zinc/95/32/60/1073953260.db2.gz SETFLXZMSDFNRV-PMPSAXMXSA-N 2 2 393.488 -1.083 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001159530676 1073953236 /nfs/dbraw/zinc/95/32/36/1073953236.db2.gz WPIYYNNPAWAWLD-JYJNAYRXSA-N 2 2 392.504 -1.259 20 0 GAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001159530679 1073953964 /nfs/dbraw/zinc/95/39/64/1073953964.db2.gz WPIYYNNPAWAWLD-PMPSAXMXSA-N 2 2 392.504 -1.259 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)C2 ZINC001159530933 1073953803 /nfs/dbraw/zinc/95/38/03/1073953803.db2.gz ZPBRUCAQAJGGQH-UXLLHSPISA-N 2 2 393.488 -1.225 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001159530934 1073953791 /nfs/dbraw/zinc/95/37/91/1073953791.db2.gz ZPBRUCAQAJGGQH-YQQAZPJKSA-N 2 2 393.488 -1.225 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)C2 ZINC001159530935 1073953984 /nfs/dbraw/zinc/95/39/84/1073953984.db2.gz ZPBRUCAQAJGGQH-ZMSDIMECSA-N 2 2 393.488 -1.225 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC001159530936 1073953868 /nfs/dbraw/zinc/95/38/68/1073953868.db2.gz ZPBRUCAQAJGGQH-ZOBUZTSGSA-N 2 2 393.488 -1.225 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)CC2)C1=O ZINC001159608978 1073955054 /nfs/dbraw/zinc/95/50/54/1073955054.db2.gz KKSIOXRIOUNGHI-YESZJQIVSA-N 3 2 392.548 -1.367 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)CC2)C1=O ZINC001159608978 1073955042 /nfs/dbraw/zinc/95/50/42/1073955042.db2.gz KKSIOXRIOUNGHI-YESZJQIVSA-N 3 2 392.548 -1.367 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3(N)CC[NH2+]CC3)CC2)C1=O ZINC001159609178 1073955243 /nfs/dbraw/zinc/95/52/43/1073955243.db2.gz GSOPOOBIXQVOPQ-UHFFFAOYSA-N 3 2 380.537 -1.236 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3(N)CC[NH2+]CC3)CC2)C1=O ZINC001159609178 1073955239 /nfs/dbraw/zinc/95/52/39/1073955239.db2.gz GSOPOOBIXQVOPQ-UHFFFAOYSA-N 3 2 380.537 -1.236 20 0 GAADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159610382 1073955318 /nfs/dbraw/zinc/95/53/18/1073955318.db2.gz QVELSYMGDIYSPK-HNNXBMFYSA-N 3 2 383.493 -1.426 20 0 GAADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159610382 1073955316 /nfs/dbraw/zinc/95/53/16/1073955316.db2.gz QVELSYMGDIYSPK-HNNXBMFYSA-N 3 2 383.493 -1.426 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CN3CC[NH2+]CC3)CC2)C1=O ZINC001159610545 1073955182 /nfs/dbraw/zinc/95/51/82/1073955182.db2.gz PSFUPKDLPHYJME-UHFFFAOYSA-N 3 2 380.537 -1.412 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CN3CC[NH2+]CC3)CC2)C1=O ZINC001159610545 1073955176 /nfs/dbraw/zinc/95/51/76/1073955176.db2.gz PSFUPKDLPHYJME-UHFFFAOYSA-N 3 2 380.537 -1.412 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC2)C1=O ZINC001159610803 1073955291 /nfs/dbraw/zinc/95/52/91/1073955291.db2.gz UBLXIIULSXKXJD-INIZCTEOSA-N 4 2 392.548 -1.508 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3C[NH2+]CC34C[NH2+]C4)CC2)C1=O ZINC001159610803 1073955290 /nfs/dbraw/zinc/95/52/90/1073955290.db2.gz UBLXIIULSXKXJD-INIZCTEOSA-N 4 2 392.548 -1.508 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC2)C1=O ZINC001159610804 1073955282 /nfs/dbraw/zinc/95/52/82/1073955282.db2.gz UBLXIIULSXKXJD-MRXNPFEDSA-N 4 2 392.548 -1.508 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3C[NH2+]CC34C[NH2+]C4)CC2)C1=O ZINC001159610804 1073955277 /nfs/dbraw/zinc/95/52/77/1073955277.db2.gz UBLXIIULSXKXJD-MRXNPFEDSA-N 4 2 392.548 -1.508 20 0 GAADLP COC(=O)[C@@H](N)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159611187 1073955264 /nfs/dbraw/zinc/95/52/64/1073955264.db2.gz WAKHEBRNGUCNMU-AWEZNQCLSA-N 2 2 383.493 -1.426 20 0 GAADLP COC(=O)[C@@H](N)CC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159611187 1073955259 /nfs/dbraw/zinc/95/52/59/1073955259.db2.gz WAKHEBRNGUCNMU-AWEZNQCLSA-N 2 2 383.493 -1.426 20 0 GAADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159611252 1073955130 /nfs/dbraw/zinc/95/51/30/1073955130.db2.gz XPTAOSWFQMNAQJ-HNNXBMFYSA-N 3 2 397.520 -1.036 20 0 GAADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159611252 1073955126 /nfs/dbraw/zinc/95/51/26/1073955126.db2.gz XPTAOSWFQMNAQJ-HNNXBMFYSA-N 3 2 397.520 -1.036 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@]3(N)CCC[NH2+]C3)CC2)C1=O ZINC001159611343 1073955196 /nfs/dbraw/zinc/95/51/96/1073955196.db2.gz ZILJUNSCSNPZIB-GOSISDBHSA-N 3 2 380.537 -1.236 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@]3(N)CCC[NH2+]C3)CC2)C1=O ZINC001159611343 1073955192 /nfs/dbraw/zinc/95/51/92/1073955192.db2.gz ZILJUNSCSNPZIB-GOSISDBHSA-N 3 2 380.537 -1.236 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@]3(N)CCC[NH2+]C3)CC2)C1=O ZINC001159611344 1073955307 /nfs/dbraw/zinc/95/53/07/1073955307.db2.gz ZILJUNSCSNPZIB-SFHVURJKSA-N 3 2 380.537 -1.236 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@]3(N)CCC[NH2+]C3)CC2)C1=O ZINC001159611344 1073955303 /nfs/dbraw/zinc/95/53/03/1073955303.db2.gz ZILJUNSCSNPZIB-SFHVURJKSA-N 3 2 380.537 -1.236 20 0 GAADLP O=C([C@@H]1COC2(C[NH2+]C2)CN1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159637102 1073955718 /nfs/dbraw/zinc/95/57/18/1073955718.db2.gz WZTZPFMAWNLOSF-HNNXBMFYSA-N 2 2 399.455 -1.449 20 0 GAADLP O=C([C@H]1COC2(C[NH2+]C2)CN1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001159637105 1073955891 /nfs/dbraw/zinc/95/58/91/1073955891.db2.gz WZTZPFMAWNLOSF-OAHLLOKOSA-N 2 2 399.455 -1.449 20 0 GAADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001159652488 1073956444 /nfs/dbraw/zinc/95/64/44/1073956444.db2.gz DQUCBTKBYLIPIJ-BXWFABGCSA-N 2 2 386.456 -1.206 20 0 GAADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001159652489 1073956276 /nfs/dbraw/zinc/95/62/76/1073956276.db2.gz DQUCBTKBYLIPIJ-TXPKVOOTSA-N 2 2 386.456 -1.206 20 0 GAADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001159652910 1073956518 /nfs/dbraw/zinc/95/65/18/1073956518.db2.gz MRFIMWVVNYZZBQ-ALKREAHSSA-N 2 2 386.456 -1.063 20 0 GAADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C2 ZINC001159652911 1073956312 /nfs/dbraw/zinc/95/63/12/1073956312.db2.gz MRFIMWVVNYZZBQ-QOKNQOGYSA-N 2 2 386.456 -1.063 20 0 GAADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001159652912 1073956362 /nfs/dbraw/zinc/95/63/62/1073956362.db2.gz MRFIMWVVNYZZBQ-SIXWZSSISA-N 2 2 386.456 -1.063 20 0 GAADLP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C2 ZINC001159652913 1073956488 /nfs/dbraw/zinc/95/64/88/1073956488.db2.gz MRFIMWVVNYZZBQ-URLQWDBASA-N 2 2 386.456 -1.063 20 0 GAADLP O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)C[C@H]21)N1CCOCC1 ZINC001159767740 1073958082 /nfs/dbraw/zinc/95/80/82/1073958082.db2.gz KQQMINUEHXBQHI-SSDAWUQTSA-N 2 2 392.500 -1.094 20 0 GAADLP O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]21)N1CCOCC1 ZINC001159768436 1073958122 /nfs/dbraw/zinc/95/81/22/1073958122.db2.gz SQXNPBMHXBOWRZ-BAPGRXHISA-N 2 2 392.500 -1.092 20 0 GAADLP O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)C[C@H]21)N1CCOCC1 ZINC001159768437 1073958169 /nfs/dbraw/zinc/95/81/69/1073958169.db2.gz SQXNPBMHXBOWRZ-GFAJBQDWSA-N 2 2 392.500 -1.092 20 0 GAADLP O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]21)N1CCOCC1 ZINC001159768438 1073957990 /nfs/dbraw/zinc/95/79/90/1073957990.db2.gz SQXNPBMHXBOWRZ-PANQXIRQSA-N 2 2 392.500 -1.092 20 0 GAADLP O=C(C[C@@H]1COC[C@H]2CN(C(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)C[C@H]21)N1CCOCC1 ZINC001159768439 1073958219 /nfs/dbraw/zinc/95/82/19/1073958219.db2.gz SQXNPBMHXBOWRZ-XFEYQPKCSA-N 2 2 392.500 -1.092 20 0 GAADLP CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001160007058 1073960454 /nfs/dbraw/zinc/96/04/54/1073960454.db2.gz CCTLQCBAFUPAOB-IPYPFGDCSA-N 2 2 384.506 -1.123 20 0 GAADLP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H]4C[NH2+]C[C@@H]4[NH3+])CC[C@@H]32)cn1 ZINC001160083799 1073961099 /nfs/dbraw/zinc/96/10/99/1073961099.db2.gz CIOGFPVENUCLMA-UVPYHEFZSA-N 2 2 376.461 -1.440 20 0 GAADLP CCN(C)c1cc(C)[nH+]c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001160086098 1073961576 /nfs/dbraw/zinc/96/15/76/1073961576.db2.gz BLVLOZQBSZJAEI-JUDXGUMMSA-N 2 2 391.432 -1.046 20 0 GAADLP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4C[C@H]([NH3+])C[NH2+]4)CC[C@@H]32)cn1 ZINC001160087108 1073962127 /nfs/dbraw/zinc/96/21/27/1073962127.db2.gz XYMWGOJMJITMEF-UVPYHEFZSA-N 2 2 376.461 -1.297 20 0 GAADLP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4C[C@@H]([NH3+])C[NH2+]4)CC[C@@H]32)cn1 ZINC001160087109 1073962319 /nfs/dbraw/zinc/96/23/19/1073962319.db2.gz XYMWGOJMJITMEF-XFIYOXNOSA-N 2 2 376.461 -1.297 20 0 GAADLP [NH3+][C@H]1[C@H](n2ccc(Nc3[nH+][nH]c(Cl)c4ncnc3-4)nc2=O)O[C@H](CO)[C@H]1O ZINC001160087899 1073963193 /nfs/dbraw/zinc/96/31/93/1073963193.db2.gz HEHGXRALNZVXSX-HBWWRNIDSA-N 2 2 394.779 -1.281 20 0 GAADLP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)[C@@H]2CCCO[C@@H]21 ZINC001160210625 1073966378 /nfs/dbraw/zinc/96/63/78/1073966378.db2.gz DUSWMDFDEWEHGX-HLMBZOQJSA-N 2 2 388.472 -1.140 20 0 GAADLP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)[C@@H]2CCCO[C@@H]21 ZINC001160210626 1073966431 /nfs/dbraw/zinc/96/64/31/1073966431.db2.gz DUSWMDFDEWEHGX-IDJSLIICSA-N 2 2 388.472 -1.140 20 0 GAADLP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)[C@@H]2CCCO[C@@H]21 ZINC001160210627 1073966389 /nfs/dbraw/zinc/96/63/89/1073966389.db2.gz DUSWMDFDEWEHGX-YHZMMZGRSA-N 2 2 388.472 -1.140 20 0 GAADLP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)[C@@H]2CCCO[C@@H]21 ZINC001160210628 1073966369 /nfs/dbraw/zinc/96/63/69/1073966369.db2.gz DUSWMDFDEWEHGX-ZEKKIGMLSA-N 2 2 388.472 -1.140 20 0 GAADLP Cn1ccnc1C(=O)N[C@H]1CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@@H]2CCCO[C@@H]21 ZINC001160212760 1073966509 /nfs/dbraw/zinc/96/65/09/1073966509.db2.gz PMZINHMQDKSXBT-RWHKXBQASA-N 2 2 388.472 -1.142 20 0 GAADLP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001160265732 1073966959 /nfs/dbraw/zinc/96/69/59/1073966959.db2.gz CQEMMZBBSWPZAR-UHFFFAOYSA-N 2 2 375.473 -1.055 20 0 GAADLP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001160265999 1073967035 /nfs/dbraw/zinc/96/70/35/1073967035.db2.gz FXWMTWSBGCBCKR-FOIQADDNSA-N 2 2 387.484 -1.185 20 0 GAADLP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001160266000 1073966906 /nfs/dbraw/zinc/96/69/06/1073966906.db2.gz FXWMTWSBGCBCKR-MGPUTAFESA-N 2 2 387.484 -1.185 20 0 GAADLP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001160266001 1073966972 /nfs/dbraw/zinc/96/69/72/1073966972.db2.gz FXWMTWSBGCBCKR-QRWLVFNGSA-N 2 2 387.484 -1.185 20 0 GAADLP CN(C)C(=O)Cn1c(=O)ccc2c1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001160266002 1073967643 /nfs/dbraw/zinc/96/76/43/1073967643.db2.gz FXWMTWSBGCBCKR-YWZLYKJASA-N 2 2 387.484 -1.185 20 0 GAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342471 1073968101 /nfs/dbraw/zinc/96/81/01/1073968101.db2.gz CFCCFXODZZWGHB-CFVMTHIKSA-N 2 2 384.444 -1.249 20 0 GAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342472 1073968207 /nfs/dbraw/zinc/96/82/07/1073968207.db2.gz CFCCFXODZZWGHB-QEJZJMRPSA-N 2 2 384.444 -1.249 20 0 GAADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342473 1073968065 /nfs/dbraw/zinc/96/80/65/1073968065.db2.gz CFCCFXODZZWGHB-SNPRPXQTSA-N 2 2 384.444 -1.249 20 0 GAADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)C1 ZINC001160342474 1073968042 /nfs/dbraw/zinc/96/80/42/1073968042.db2.gz CFCCFXODZZWGHB-YUELXQCFSA-N 2 2 384.444 -1.249 20 0 GAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343228 1073968221 /nfs/dbraw/zinc/96/82/21/1073968221.db2.gz FQLBMOHJBZOOHG-GGXPGOJBSA-N 2 2 388.472 -1.139 20 0 GAADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160343229 1073968233 /nfs/dbraw/zinc/96/82/33/1073968233.db2.gz FQLBMOHJBZOOHG-YIOZNXECSA-N 2 2 388.472 -1.139 20 0 GAADLP O=C(N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160343430 1073968084 /nfs/dbraw/zinc/96/80/84/1073968084.db2.gz JGYDXCDTYHROJL-ATZDWAIDSA-N 2 2 388.472 -1.138 20 0 GAADLP O=C(N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160343431 1073968074 /nfs/dbraw/zinc/96/80/74/1073968074.db2.gz JGYDXCDTYHROJL-IPELMVKDSA-N 2 2 388.472 -1.138 20 0 GAADLP O=C(N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160343432 1073968116 /nfs/dbraw/zinc/96/81/16/1073968116.db2.gz JGYDXCDTYHROJL-KFKAGJAMSA-N 2 2 388.472 -1.138 20 0 GAADLP O=C(N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160343433 1073968178 /nfs/dbraw/zinc/96/81/78/1073968178.db2.gz JGYDXCDTYHROJL-LZQZEXGQSA-N 2 2 388.472 -1.138 20 0 GAADLP [NH3+]C1(C(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)CC[NH2+]CC1 ZINC001160353133 1073969235 /nfs/dbraw/zinc/96/92/35/1073969235.db2.gz LVAALBNTWFIYAP-KRWDZBQOSA-N 2 2 376.461 -1.008 20 0 GAADLP [NH3+]C1(C(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)CC[NH2+]CC1 ZINC001160353134 1073969317 /nfs/dbraw/zinc/96/93/17/1073969317.db2.gz LVAALBNTWFIYAP-QGZVFWFLSA-N 2 2 376.461 -1.008 20 0 GAADLP C[NH+](C)CCOCc1ncn2c1CN(C(=O)[C@@H]([NH3+])Cc1nn[nH]n1)CCC2 ZINC001160357746 1073969332 /nfs/dbraw/zinc/96/93/32/1073969332.db2.gz MIYCDDVMIPKYDZ-LBPRGKRZSA-N 2 2 377.453 -1.223 20 0 GAADLP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C2 ZINC001160380097 1073969356 /nfs/dbraw/zinc/96/93/56/1073969356.db2.gz BAYBMHWRQPZDIF-ZDUSSCGKSA-N 2 2 390.448 -1.471 20 0 GAADLP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001160380304 1073969997 /nfs/dbraw/zinc/96/99/97/1073969997.db2.gz CRYFFULWAGNGDY-PXAZEXFGSA-N 2 2 377.449 -1.823 20 0 GAADLP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001160380306 1073969981 /nfs/dbraw/zinc/96/99/81/1073969981.db2.gz CRYFFULWAGNGDY-SJCJKPOMSA-N 2 2 377.449 -1.823 20 0 GAADLP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001160380308 1073969755 /nfs/dbraw/zinc/96/97/55/1073969755.db2.gz CRYFFULWAGNGDY-SJKOYZFVSA-N 2 2 377.449 -1.823 20 0 GAADLP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001160380309 1073969849 /nfs/dbraw/zinc/96/98/49/1073969849.db2.gz CRYFFULWAGNGDY-YVEFUNNKSA-N 2 2 377.449 -1.823 20 0 GAADLP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001160380625 1073969733 /nfs/dbraw/zinc/96/97/33/1073969733.db2.gz HRYYQOPANYMJAR-RWMBFGLXSA-N 2 2 377.449 -1.825 20 0 GAADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001160380797 1073970068 /nfs/dbraw/zinc/97/00/68/1073970068.db2.gz JTQNFYAGYRGZHX-STQMWFEESA-N 2 2 381.481 -1.325 20 0 GAADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)C2 ZINC001160380797 1073970062 /nfs/dbraw/zinc/97/00/62/1073970062.db2.gz JTQNFYAGYRGZHX-STQMWFEESA-N 2 2 381.481 -1.325 20 0 GAADLP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001160381009 1073969697 /nfs/dbraw/zinc/96/96/97/1073969697.db2.gz NEDOFJHSBKEPLU-GFCCVEGCSA-N 2 2 376.421 -1.482 20 0 GAADLP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001160381013 1073970019 /nfs/dbraw/zinc/97/00/19/1073970019.db2.gz NEDOFJHSBKEPLU-LBPRGKRZSA-N 2 2 376.421 -1.482 20 0 GAADLP CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001160381672 1073970474 /nfs/dbraw/zinc/97/04/74/1073970474.db2.gz XNUPTHDGFJZJHO-QFSBIZTOSA-N 2 2 377.449 -1.553 20 0 GAADLP Cn1cc(C(=O)N[C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160399038 1073970518 /nfs/dbraw/zinc/97/05/18/1073970518.db2.gz MYIJQRUIHSYTKF-RRFJBIMHSA-N 2 2 376.461 -1.011 20 0 GAADLP Cn1cc(C(=O)N[C@H]2CN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001160401008 1073970351 /nfs/dbraw/zinc/97/03/51/1073970351.db2.gz HNWHKNMPZQAEET-CEMYWYHPSA-N 2 2 388.472 -1.142 20 0 GAADLP Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001160406800 1073971927 /nfs/dbraw/zinc/97/19/27/1073971927.db2.gz WYLBDGCIDMRMLB-OCCSQVGLSA-N 2 2 386.460 -1.380 20 0 GAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001160461581 1073973380 /nfs/dbraw/zinc/97/33/80/1073973380.db2.gz TTZMUQHTYMBANV-HOCLYGCPSA-N 2 2 391.472 -1.083 20 0 GAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160483127 1073973898 /nfs/dbraw/zinc/97/38/98/1073973898.db2.gz NZDSJFPOEMIFJX-ZFWWWQNUSA-N 2 2 376.461 -1.524 20 0 GAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160490820 1073973869 /nfs/dbraw/zinc/97/38/69/1073973869.db2.gz YYNVMTZFNZKXKJ-ZFWWWQNUSA-N 2 2 376.461 -1.524 20 0 GAADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH3+])C(=O)NCC(N)=O ZINC001160629000 1073976267 /nfs/dbraw/zinc/97/62/67/1073976267.db2.gz NNXOCIPBEGFARG-AVGNSLFASA-N 2 2 384.481 -2.214 20 0 GAADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)NCC(N)=O ZINC001160629053 1073976259 /nfs/dbraw/zinc/97/62/59/1073976259.db2.gz OWQWHEDBLHZZFH-XUXIUFHCSA-N 2 2 396.492 -2.344 20 0 GAADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)NCC(N)=O ZINC001160630081 1073976125 /nfs/dbraw/zinc/97/61/25/1073976125.db2.gz VGMQWGIOPHFZGB-RFGFWPKPSA-N 2 2 396.492 -2.201 20 0 GAADLP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C(=O)NCC(N)=O ZINC001160630083 1073976227 /nfs/dbraw/zinc/97/62/27/1073976227.db2.gz VGMQWGIOPHFZGB-XUXIUFHCSA-N 2 2 396.492 -2.201 20 0 GAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160693339 1073977919 /nfs/dbraw/zinc/97/79/19/1073977919.db2.gz LBBNNXDBFVPNJW-LLVKDONJSA-N 2 2 379.421 -2.577 20 0 GAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160693343 1073977870 /nfs/dbraw/zinc/97/78/70/1073977870.db2.gz LBBNNXDBFVPNJW-NSHDSACASA-N 2 2 379.421 -2.577 20 0 GAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160725599 1073978844 /nfs/dbraw/zinc/97/88/44/1073978844.db2.gz CUJLTXLYMJDQNL-UHFFFAOYSA-N 2 2 379.421 -2.646 20 0 GAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001160838430 1073982046 /nfs/dbraw/zinc/98/20/46/1073982046.db2.gz IVBVDILEBBSOSL-KBPBESRZSA-N 2 2 391.476 -1.450 20 0 GAADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001161139557 1073985307 /nfs/dbraw/zinc/98/53/07/1073985307.db2.gz XGTFEQJDEAHSSK-DEYYWGMASA-N 2 2 394.428 -2.158 20 0 GAADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001161139558 1073985363 /nfs/dbraw/zinc/98/53/63/1073985363.db2.gz XGTFEQJDEAHSSK-SUNYJGFJSA-N 2 2 394.428 -2.158 20 0 GAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198800 1073986506 /nfs/dbraw/zinc/98/65/06/1073986506.db2.gz YQFCIGXUKBQAFB-RDJZCZTQSA-N 3 2 399.536 -1.639 20 0 GAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161236953 1073986382 /nfs/dbraw/zinc/98/63/82/1073986382.db2.gz IDXHPXYJMSCDJZ-KKUMJFAQSA-N 3 2 383.493 -1.251 20 0 GAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161236953 1073986378 /nfs/dbraw/zinc/98/63/78/1073986378.db2.gz IDXHPXYJMSCDJZ-KKUMJFAQSA-N 3 2 383.493 -1.251 20 0 GAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161236955 1073986406 /nfs/dbraw/zinc/98/64/06/1073986406.db2.gz IDXHPXYJMSCDJZ-SOUVJXGZSA-N 3 2 383.493 -1.251 20 0 GAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001161236955 1073986400 /nfs/dbraw/zinc/98/64/00/1073986400.db2.gz IDXHPXYJMSCDJZ-SOUVJXGZSA-N 3 2 383.493 -1.251 20 0 GAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161238675 1073986369 /nfs/dbraw/zinc/98/63/69/1073986369.db2.gz VKILKAAAMRNOKY-AVGNSLFASA-N 2 2 383.449 -2.244 20 0 GAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161238675 1073986365 /nfs/dbraw/zinc/98/63/65/1073986365.db2.gz VKILKAAAMRNOKY-AVGNSLFASA-N 2 2 383.449 -2.244 20 0 GAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161238676 1073986491 /nfs/dbraw/zinc/98/64/91/1073986491.db2.gz VKILKAAAMRNOKY-RWMBFGLXSA-N 2 2 383.449 -2.244 20 0 GAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001161238676 1073986487 /nfs/dbraw/zinc/98/64/87/1073986487.db2.gz VKILKAAAMRNOKY-RWMBFGLXSA-N 2 2 383.449 -2.244 20 0 GAADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161239330 1073986455 /nfs/dbraw/zinc/98/64/55/1073986455.db2.gz ZASFAHJUHDAYQE-JTQLQIEISA-N 2 2 386.409 -4.391 20 0 GAADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161239330 1073986451 /nfs/dbraw/zinc/98/64/51/1073986451.db2.gz ZASFAHJUHDAYQE-JTQLQIEISA-N 2 2 386.409 -4.391 20 0 GAADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161239332 1073986573 /nfs/dbraw/zinc/98/65/73/1073986573.db2.gz ZASFAHJUHDAYQE-SNVBAGLBSA-N 2 2 386.409 -4.391 20 0 GAADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001161239332 1073986562 /nfs/dbraw/zinc/98/65/62/1073986562.db2.gz ZASFAHJUHDAYQE-SNVBAGLBSA-N 2 2 386.409 -4.391 20 0 GAADLP COc1cc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])CC2)cc[nH+]1 ZINC001161305946 1073987553 /nfs/dbraw/zinc/98/75/53/1073987553.db2.gz DEEBRDLVXKUIDH-AAEUAGOBSA-N 2 2 378.433 -1.554 20 0 GAADLP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C[C@@H]2C(=O)N(C)C ZINC001161506669 1073991545 /nfs/dbraw/zinc/99/15/45/1073991545.db2.gz NNYLESZZQYJBQP-CABCVRRESA-N 2 2 376.461 -1.315 20 0 GAADLP CC(=O)N1CC2(C1)CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C[C@H]2C(=O)N(C)C ZINC001161506670 1073991314 /nfs/dbraw/zinc/99/13/14/1073991314.db2.gz NNYLESZZQYJBQP-GJZGRUSLSA-N 2 2 376.461 -1.315 20 0 GAADLP OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)C2 ZINC001165281648 1074005004 /nfs/dbraw/zinc/00/50/04/1074005004.db2.gz IVZDZVPYYUCXFV-KDOFPFPSSA-N 2 2 391.476 -1.437 20 0 GAADLP OC[C@@]12C[NH2+]C[C@@H]1CN(c1nc(N3CCOCC3)nc(N3CCOCC3)[nH+]1)C2 ZINC001165281648 1074004994 /nfs/dbraw/zinc/00/49/94/1074004994.db2.gz IVZDZVPYYUCXFV-KDOFPFPSSA-N 2 2 391.476 -1.437 20 0 GAADLP C1[NH2+]CC12COCCN2c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001165287830 1074004943 /nfs/dbraw/zinc/00/49/43/1074004943.db2.gz VDBPMYJOENTJKU-UHFFFAOYSA-N 2 2 377.449 -1.277 20 0 GAADLP O=C1NCCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C12C[NH2+]C2 ZINC001165297296 1074004896 /nfs/dbraw/zinc/00/48/96/1074004896.db2.gz DKVNHLZOTWUCOU-UHFFFAOYSA-N 2 2 390.448 -2.177 20 0 GAADLP NC(=O)[C@H]1CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC[NH2+]1 ZINC001166723886 1074006175 /nfs/dbraw/zinc/00/61/75/1074006175.db2.gz MFNJWCFGVASMNF-GFCCVEGCSA-N 2 2 378.437 -2.192 20 0 GAADLP NC(=O)[C@@H]1CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC[NH2+]1 ZINC001166723887 1074006203 /nfs/dbraw/zinc/00/62/03/1074006203.db2.gz MFNJWCFGVASMNF-LBPRGKRZSA-N 2 2 378.437 -2.192 20 0 GAADLP [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3C[NH2+]C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261752 1075077777 /nfs/dbraw/zinc/07/77/77/1075077777.db2.gz QQOMEAUECIOHRO-UORFTKCHSA-N 2 2 395.807 -1.554 20 0 GAADLP CN1CCOc2c1cn[nH+]c2Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171261818 1075077811 /nfs/dbraw/zinc/07/78/11/1075077811.db2.gz ADJDLFZGDDCQTF-SDBHATRESA-N 2 2 391.388 -1.982 20 0 GAADLP Cc1cc(N(C)C)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)[nH+]1 ZINC001171262121 1075078482 /nfs/dbraw/zinc/07/84/82/1075078482.db2.gz IPZZKNOXNAXOJQ-ICGCDAGXSA-N 2 2 377.405 -1.437 20 0 GAADLP COC(=O)Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc[nH+]1 ZINC001171266101 1075079923 /nfs/dbraw/zinc/07/99/23/1075079923.db2.gz CGNZRLIKGZONCG-RAEVTNRLSA-N 2 2 391.384 -1.491 20 0 GAADLP COCCC[NH+]1CCC([NH2+]CC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1 ZINC001172248600 1075092657 /nfs/dbraw/zinc/09/26/57/1075092657.db2.gz CDTGZOJPWYWKGA-HNNXBMFYSA-N 2 2 383.493 -1.331 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)Cc3nc(N)n[nH]3)CC2)C1=O ZINC001180245760 1075322353 /nfs/dbraw/zinc/32/23/53/1075322353.db2.gz ARAUOCDCTGFYIW-UHFFFAOYSA-N 2 2 378.481 -1.374 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)Cc3nc(N)n[nH]3)CC2)C1=O ZINC001180245760 1075322350 /nfs/dbraw/zinc/32/23/50/1075322350.db2.gz ARAUOCDCTGFYIW-UHFFFAOYSA-N 2 2 378.481 -1.374 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C3=NNC(=O)CC3)CC2)C1=O ZINC001180254465 1075322732 /nfs/dbraw/zinc/32/27/32/1075322732.db2.gz CDTRKXCXVJDIJR-UHFFFAOYSA-N 2 2 378.477 -1.051 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C3=NNC(=O)CC3)CC2)C1=O ZINC001180254465 1075322728 /nfs/dbraw/zinc/32/27/28/1075322728.db2.gz CDTRKXCXVJDIJR-UHFFFAOYSA-N 2 2 378.477 -1.051 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1=O ZINC001180382909 1075323836 /nfs/dbraw/zinc/32/38/36/1075323836.db2.gz SJYVBEUTZWEZPI-UHFFFAOYSA-N 2 2 394.476 -1.765 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1=O ZINC001180382909 1075323833 /nfs/dbraw/zinc/32/38/33/1075323833.db2.gz SJYVBEUTZWEZPI-UHFFFAOYSA-N 2 2 394.476 -1.765 20 0 GAADLP CC[NH+](CC)CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)nc1N ZINC001180389805 1075324488 /nfs/dbraw/zinc/32/44/88/1075324488.db2.gz BDSVLGWECWVICX-SJAJALHSSA-N 2 2 395.420 -2.265 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@@H]3CSCC(=O)N3)CC2)C1=O ZINC001180550187 1075325378 /nfs/dbraw/zinc/32/53/78/1075325378.db2.gz LOTKXEZFLAPLER-AWEZNQCLSA-N 2 2 397.545 -1.085 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@@H]3CSCC(=O)N3)CC2)C1=O ZINC001180550187 1075325375 /nfs/dbraw/zinc/32/53/75/1075325375.db2.gz LOTKXEZFLAPLER-AWEZNQCLSA-N 2 2 397.545 -1.085 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)[C@H]3CSCC(=O)N3)CC2)C1=O ZINC001180550188 1075325263 /nfs/dbraw/zinc/32/52/63/1075325263.db2.gz LOTKXEZFLAPLER-CQSZACIVSA-N 2 2 397.545 -1.085 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)[C@H]3CSCC(=O)N3)CC2)C1=O ZINC001180550188 1075325261 /nfs/dbraw/zinc/32/52/61/1075325261.db2.gz LOTKXEZFLAPLER-CQSZACIVSA-N 2 2 397.545 -1.085 20 0 GAADLP C[NH+]1CCC(O)(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001182036675 1075332994 /nfs/dbraw/zinc/33/29/94/1075332994.db2.gz IBZSPTZESKKYMD-KBPBESRZSA-N 2 2 392.460 -1.630 20 0 GAADLP C[NH+]1CCC(O)(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001182036675 1075332987 /nfs/dbraw/zinc/33/29/87/1075332987.db2.gz IBZSPTZESKKYMD-KBPBESRZSA-N 2 2 392.460 -1.630 20 0 GAADLP CC(=O)N[C@@H](CCO)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001182121343 1075333645 /nfs/dbraw/zinc/33/36/45/1075333645.db2.gz RZXMYCPWCJREBX-INIZCTEOSA-N 2 2 397.520 -1.430 20 0 GAADLP CC(=O)N[C@@H](CCO)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001182121343 1075333643 /nfs/dbraw/zinc/33/36/43/1075333643.db2.gz RZXMYCPWCJREBX-INIZCTEOSA-N 2 2 397.520 -1.430 20 0 GAADLP CC(=O)N[C@H](CCO)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001182121399 1075333850 /nfs/dbraw/zinc/33/38/50/1075333850.db2.gz RZXMYCPWCJREBX-MRXNPFEDSA-N 2 2 397.520 -1.430 20 0 GAADLP CC(=O)N[C@H](CCO)C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001182121399 1075333847 /nfs/dbraw/zinc/33/38/47/1075333847.db2.gz RZXMYCPWCJREBX-MRXNPFEDSA-N 2 2 397.520 -1.430 20 0 GAADLP CN1C[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)NC1=O ZINC001183072421 1075340492 /nfs/dbraw/zinc/34/04/92/1075340492.db2.gz IIUBMSISXIJJCV-AWEZNQCLSA-N 2 2 380.493 -1.293 20 0 GAADLP CN1C[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)NC1=O ZINC001183072421 1075340490 /nfs/dbraw/zinc/34/04/90/1075340490.db2.gz IIUBMSISXIJJCV-AWEZNQCLSA-N 2 2 380.493 -1.293 20 0 GAADLP CC(=O)N[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C)[C@@H](C)O ZINC001183699100 1075345790 /nfs/dbraw/zinc/34/57/90/1075345790.db2.gz RQHVNWPYEHQTAZ-ZBFHGGJFSA-N 2 2 397.520 -1.431 20 0 GAADLP CC(=O)N[C@H](C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C)[C@@H](C)O ZINC001183699100 1075345786 /nfs/dbraw/zinc/34/57/86/1075345786.db2.gz RQHVNWPYEHQTAZ-ZBFHGGJFSA-N 2 2 397.520 -1.431 20 0 GAADLP C[N@@H+](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183815537 1075346060 /nfs/dbraw/zinc/34/60/60/1075346060.db2.gz CUFSBATXUJMYBA-OEAJRASXSA-N 2 2 397.524 -1.163 20 0 GAADLP C[N@H+](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183815537 1075346057 /nfs/dbraw/zinc/34/60/57/1075346057.db2.gz CUFSBATXUJMYBA-OEAJRASXSA-N 2 2 397.524 -1.163 20 0 GAADLP C[N@@H+](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183815538 1075346094 /nfs/dbraw/zinc/34/60/94/1075346094.db2.gz CUFSBATXUJMYBA-QCEMKRCNSA-N 2 2 397.524 -1.163 20 0 GAADLP C[N@H+](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183815538 1075346091 /nfs/dbraw/zinc/34/60/91/1075346091.db2.gz CUFSBATXUJMYBA-QCEMKRCNSA-N 2 2 397.524 -1.163 20 0 GAADLP C[N@@H+](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183815539 1075346113 /nfs/dbraw/zinc/34/61/13/1075346113.db2.gz CUFSBATXUJMYBA-SYAUCNOPSA-N 2 2 397.524 -1.163 20 0 GAADLP C[N@H+](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183815539 1075346112 /nfs/dbraw/zinc/34/61/12/1075346112.db2.gz CUFSBATXUJMYBA-SYAUCNOPSA-N 2 2 397.524 -1.163 20 0 GAADLP C[N@@H+](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183815540 1075346125 /nfs/dbraw/zinc/34/61/25/1075346125.db2.gz CUFSBATXUJMYBA-TUUVXOQKSA-N 2 2 397.524 -1.163 20 0 GAADLP C[N@H+](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183815540 1075346123 /nfs/dbraw/zinc/34/61/23/1075346123.db2.gz CUFSBATXUJMYBA-TUUVXOQKSA-N 2 2 397.524 -1.163 20 0 GAADLP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001185250191 1075350613 /nfs/dbraw/zinc/35/06/13/1075350613.db2.gz DDMFNKLKFFUKQF-KRWDZBQOSA-N 3 2 394.564 -1.071 20 0 GAADLP CN1CC[NH+](C)C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001185250191 1075350607 /nfs/dbraw/zinc/35/06/07/1075350607.db2.gz DDMFNKLKFFUKQF-KRWDZBQOSA-N 3 2 394.564 -1.071 20 0 GAADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001185250191 1075350603 /nfs/dbraw/zinc/35/06/03/1075350603.db2.gz DDMFNKLKFFUKQF-KRWDZBQOSA-N 3 2 394.564 -1.071 20 0 GAADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001185250191 1075350598 /nfs/dbraw/zinc/35/05/98/1075350598.db2.gz DDMFNKLKFFUKQF-KRWDZBQOSA-N 3 2 394.564 -1.071 20 0 GAADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001185250200 1075350455 /nfs/dbraw/zinc/35/04/55/1075350455.db2.gz DDMFNKLKFFUKQF-QGZVFWFLSA-N 3 2 394.564 -1.071 20 0 GAADLP CN1CC[NH+](C)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001185250200 1075350449 /nfs/dbraw/zinc/35/04/49/1075350449.db2.gz DDMFNKLKFFUKQF-QGZVFWFLSA-N 3 2 394.564 -1.071 20 0 GAADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001185250200 1075350444 /nfs/dbraw/zinc/35/04/44/1075350444.db2.gz DDMFNKLKFFUKQF-QGZVFWFLSA-N 3 2 394.564 -1.071 20 0 GAADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[NH+]2C ZINC001185250200 1075350441 /nfs/dbraw/zinc/35/04/41/1075350441.db2.gz DDMFNKLKFFUKQF-QGZVFWFLSA-N 3 2 394.564 -1.071 20 0 GAADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001185250469 1075350330 /nfs/dbraw/zinc/35/03/30/1075350330.db2.gz GRUDWDICNQIZNY-APWZRJJASA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001185250469 1075350323 /nfs/dbraw/zinc/35/03/23/1075350323.db2.gz GRUDWDICNQIZNY-APWZRJJASA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH+](C)CCN3C)C2)C1 ZINC001185250469 1075350319 /nfs/dbraw/zinc/35/03/19/1075350319.db2.gz GRUDWDICNQIZNY-APWZRJJASA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH+](C)CCN3C)C2)C1 ZINC001185250469 1075350310 /nfs/dbraw/zinc/35/03/10/1075350310.db2.gz GRUDWDICNQIZNY-APWZRJJASA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001185250473 1075350267 /nfs/dbraw/zinc/35/02/67/1075350267.db2.gz GRUDWDICNQIZNY-LPHOPBHVSA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001185250473 1075350262 /nfs/dbraw/zinc/35/02/62/1075350262.db2.gz GRUDWDICNQIZNY-LPHOPBHVSA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[NH+](C)CCN3C)C2)C1 ZINC001185250473 1075350255 /nfs/dbraw/zinc/35/02/55/1075350255.db2.gz GRUDWDICNQIZNY-LPHOPBHVSA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[NH+](C)CCN3C)C2)C1 ZINC001185250473 1075350247 /nfs/dbraw/zinc/35/02/47/1075350247.db2.gz GRUDWDICNQIZNY-LPHOPBHVSA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001185250475 1075350378 /nfs/dbraw/zinc/35/03/78/1075350378.db2.gz GRUDWDICNQIZNY-QFBILLFUSA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001185250475 1075350375 /nfs/dbraw/zinc/35/03/75/1075350375.db2.gz GRUDWDICNQIZNY-QFBILLFUSA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH+](C)CCN3C)C2)C1 ZINC001185250475 1075350372 /nfs/dbraw/zinc/35/03/72/1075350372.db2.gz GRUDWDICNQIZNY-QFBILLFUSA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH+](C)CCN3C)C2)C1 ZINC001185250475 1075350365 /nfs/dbraw/zinc/35/03/65/1075350365.db2.gz GRUDWDICNQIZNY-QFBILLFUSA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[N@@H+](C)CCN3C)C2)C1 ZINC001185250478 1075350539 /nfs/dbraw/zinc/35/05/39/1075350539.db2.gz GRUDWDICNQIZNY-VQIMIIECSA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[N@H+](C)CCN3C)C2)C1 ZINC001185250478 1075350534 /nfs/dbraw/zinc/35/05/34/1075350534.db2.gz GRUDWDICNQIZNY-VQIMIIECSA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH+](C)CCN3C)C2)C1 ZINC001185250478 1075350529 /nfs/dbraw/zinc/35/05/29/1075350529.db2.gz GRUDWDICNQIZNY-VQIMIIECSA-N 2 2 381.521 -1.081 20 0 GAADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH+](C)CCN3C)C2)C1 ZINC001185250478 1075350526 /nfs/dbraw/zinc/35/05/26/1075350526.db2.gz GRUDWDICNQIZNY-VQIMIIECSA-N 2 2 381.521 -1.081 20 0 GAADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)C[N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC001186037281 1075355448 /nfs/dbraw/zinc/35/54/48/1075355448.db2.gz GYQBVCUTQHRWCX-INIZCTEOSA-N 3 2 381.521 -1.250 20 0 GAADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC001186037281 1075355437 /nfs/dbraw/zinc/35/54/37/1075355437.db2.gz GYQBVCUTQHRWCX-INIZCTEOSA-N 3 2 381.521 -1.250 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[NH+]3CC[C@H](O)C3)CC2)C1=O ZINC001186037281 1075355433 /nfs/dbraw/zinc/35/54/33/1075355433.db2.gz GYQBVCUTQHRWCX-INIZCTEOSA-N 3 2 381.521 -1.250 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[NH+]3CC[C@H](O)C3)CC2)C1=O ZINC001186037281 1075355430 /nfs/dbraw/zinc/35/54/30/1075355430.db2.gz GYQBVCUTQHRWCX-INIZCTEOSA-N 3 2 381.521 -1.250 20 0 GAADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC001186037296 1075355669 /nfs/dbraw/zinc/35/56/69/1075355669.db2.gz GYQBVCUTQHRWCX-MRXNPFEDSA-N 3 2 381.521 -1.250 20 0 GAADLP C[NH+](C)CCN1CC[NH+](C)C2(CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC001186037296 1075355665 /nfs/dbraw/zinc/35/56/65/1075355665.db2.gz GYQBVCUTQHRWCX-MRXNPFEDSA-N 3 2 381.521 -1.250 20 0 GAADLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)C[NH+]3CC[C@@H](O)C3)CC2)C1=O ZINC001186037296 1075355651 /nfs/dbraw/zinc/35/56/51/1075355651.db2.gz GYQBVCUTQHRWCX-MRXNPFEDSA-N 3 2 381.521 -1.250 20 0 GAADLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)C[NH+]3CC[C@@H](O)C3)CC2)C1=O ZINC001186037296 1075355645 /nfs/dbraw/zinc/35/56/45/1075355645.db2.gz GYQBVCUTQHRWCX-MRXNPFEDSA-N 3 2 381.521 -1.250 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C[N@H+]1CC[C@H](O)C1)CC2 ZINC001186038193 1075355472 /nfs/dbraw/zinc/35/54/72/1075355472.db2.gz OBQDEBPYYVEIJG-AWEZNQCLSA-N 2 2 390.488 -1.241 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C[N@@H+]1CC[C@H](O)C1)CC2 ZINC001186038193 1075355468 /nfs/dbraw/zinc/35/54/68/1075355468.db2.gz OBQDEBPYYVEIJG-AWEZNQCLSA-N 2 2 390.488 -1.241 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C[N@H+]1CC[C@@H](O)C1)CC2 ZINC001186038194 1075355373 /nfs/dbraw/zinc/35/53/73/1075355373.db2.gz OBQDEBPYYVEIJG-CQSZACIVSA-N 2 2 390.488 -1.241 20 0 GAADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)CC2 ZINC001186038194 1075355369 /nfs/dbraw/zinc/35/53/69/1075355369.db2.gz OBQDEBPYYVEIJG-CQSZACIVSA-N 2 2 390.488 -1.241 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001193084885 1075389694 /nfs/dbraw/zinc/38/96/94/1075389694.db2.gz DMQFIRMAIIPBKZ-GBJTYRQASA-N 2 2 376.523 -1.231 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]2O)CC[NH+]1C ZINC001193084885 1075389689 /nfs/dbraw/zinc/38/96/89/1075389689.db2.gz DMQFIRMAIIPBKZ-GBJTYRQASA-N 2 2 376.523 -1.231 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]2O)CC[N@H+]1C ZINC001193084885 1075389685 /nfs/dbraw/zinc/38/96/85/1075389685.db2.gz DMQFIRMAIIPBKZ-GBJTYRQASA-N 2 2 376.523 -1.231 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@H]2O)CC[N@@H+]1C ZINC001193084885 1075389681 /nfs/dbraw/zinc/38/96/81/1075389681.db2.gz DMQFIRMAIIPBKZ-GBJTYRQASA-N 2 2 376.523 -1.231 20 0 GAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001194054014 1075393629 /nfs/dbraw/zinc/39/36/29/1075393629.db2.gz HRHNBCUPUIRWNF-KBUPBQIOSA-N 2 2 392.522 -1.804 20 0 GAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001194054014 1075393623 /nfs/dbraw/zinc/39/36/23/1075393623.db2.gz HRHNBCUPUIRWNF-KBUPBQIOSA-N 2 2 392.522 -1.804 20 0 GAADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001194054014 1075393618 /nfs/dbraw/zinc/39/36/18/1075393618.db2.gz HRHNBCUPUIRWNF-KBUPBQIOSA-N 2 2 392.522 -1.804 20 0 GAADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001194054014 1075393611 /nfs/dbraw/zinc/39/36/11/1075393611.db2.gz HRHNBCUPUIRWNF-KBUPBQIOSA-N 2 2 392.522 -1.804 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@H]2O)O1 ZINC001194055148 1075394210 /nfs/dbraw/zinc/39/42/10/1075394210.db2.gz YURGYEKLCWSUKL-KBUPBQIOSA-N 2 2 392.522 -1.852 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]2O)O1 ZINC001194055148 1075394203 /nfs/dbraw/zinc/39/42/03/1075394203.db2.gz YURGYEKLCWSUKL-KBUPBQIOSA-N 2 2 392.522 -1.852 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]2O)O1 ZINC001194055148 1075394196 /nfs/dbraw/zinc/39/41/96/1075394196.db2.gz YURGYEKLCWSUKL-KBUPBQIOSA-N 2 2 392.522 -1.852 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]2O)O1 ZINC001194055148 1075394190 /nfs/dbraw/zinc/39/41/90/1075394190.db2.gz YURGYEKLCWSUKL-KBUPBQIOSA-N 2 2 392.522 -1.852 20 0 GAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196252316 1075406216 /nfs/dbraw/zinc/40/62/16/1075406216.db2.gz XUKBOIHBNDVQNL-KCYZZUKISA-N 2 2 379.461 -1.162 20 0 GAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196252316 1075406210 /nfs/dbraw/zinc/40/62/10/1075406210.db2.gz XUKBOIHBNDVQNL-KCYZZUKISA-N 2 2 379.461 -1.162 20 0 GAADLP CO[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001212450911 1074796544 /nfs/dbraw/zinc/79/65/44/1074796544.db2.gz FJTAKINXNPFWJR-MWQQHZPXSA-N 2 2 386.493 -1.326 20 0 GAADLP CO[C@@H]1C[NH+](CCOCCNC(C)=O)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001212450911 1074796539 /nfs/dbraw/zinc/79/65/39/1074796539.db2.gz FJTAKINXNPFWJR-MWQQHZPXSA-N 2 2 386.493 -1.326 20 0 GAADLP CO[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212450911 1074796533 /nfs/dbraw/zinc/79/65/33/1074796533.db2.gz FJTAKINXNPFWJR-MWQQHZPXSA-N 2 2 386.493 -1.326 20 0 GAADLP CO[C@@H]1C[N@H+](CCOCCNC(C)=O)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001212450911 1074796526 /nfs/dbraw/zinc/79/65/26/1074796526.db2.gz FJTAKINXNPFWJR-MWQQHZPXSA-N 2 2 386.493 -1.326 20 0 GAADLP C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001218668731 1074023478 /nfs/dbraw/zinc/02/34/78/1074023478.db2.gz HGOZMQWCASLDPE-AAEUAGOBSA-N 2 2 381.437 -2.139 20 0 GAADLP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218703214 1074024092 /nfs/dbraw/zinc/02/40/92/1074024092.db2.gz BXGSMXVALRPFLL-GFCCVEGCSA-N 2 2 386.416 -1.092 20 0 GAADLP N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218703221 1074023888 /nfs/dbraw/zinc/02/38/88/1074023888.db2.gz BXGSMXVALRPFLL-LBPRGKRZSA-N 2 2 386.416 -1.092 20 0 GAADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218770014 1074024762 /nfs/dbraw/zinc/02/47/62/1074024762.db2.gz AGHKOVMCQUJTHU-UHFFFAOYSA-N 2 2 377.449 -1.200 20 0 GAADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001218771118 1074025337 /nfs/dbraw/zinc/02/53/37/1074025337.db2.gz SNENOFJKXNNWQI-ZDUSSCGKSA-N 2 2 388.432 -1.238 20 0 GAADLP Nc1ncn(C(=O)C2([NH3+])CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218774836 1074025497 /nfs/dbraw/zinc/02/54/97/1074025497.db2.gz BUDAPUGAIOJNED-GHMZBOCLSA-N 3 2 383.884 -1.289 20 0 GAADLP Nc1ncn(C(=O)C2([NH3+])CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218774837 1074025971 /nfs/dbraw/zinc/02/59/71/1074025971.db2.gz BUDAPUGAIOJNED-MNOVXSKESA-N 3 2 383.884 -1.289 20 0 GAADLP Nc1ncn(C(=O)C2([NH3+])CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218774838 1074025900 /nfs/dbraw/zinc/02/59/00/1074025900.db2.gz BUDAPUGAIOJNED-QWRGUYRKSA-N 3 2 383.884 -1.289 20 0 GAADLP Nc1ncn(C(=O)C2([NH3+])CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218774839 1074026023 /nfs/dbraw/zinc/02/60/23/1074026023.db2.gz BUDAPUGAIOJNED-WDEREUQCSA-N 3 2 383.884 -1.289 20 0 GAADLP Nc1ncn(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775720 1074025842 /nfs/dbraw/zinc/02/58/42/1074025842.db2.gz DEBKRZLAXLDAMH-ADEWGFFLSA-N 3 2 394.867 -1.077 20 0 GAADLP Nc1ncn(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775721 1074026170 /nfs/dbraw/zinc/02/61/70/1074026170.db2.gz DEBKRZLAXLDAMH-DLOVCJGASA-N 3 2 394.867 -1.077 20 0 GAADLP Nc1ncn(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775722 1074026038 /nfs/dbraw/zinc/02/60/38/1074026038.db2.gz DEBKRZLAXLDAMH-JLLWLGSASA-N 3 2 394.867 -1.077 20 0 GAADLP Nc1ncn(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775723 1074026072 /nfs/dbraw/zinc/02/60/72/1074026072.db2.gz DEBKRZLAXLDAMH-MVWJERBFSA-N 3 2 394.867 -1.077 20 0 GAADLP Nc1ncn(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775724 1074026108 /nfs/dbraw/zinc/02/61/08/1074026108.db2.gz DEBKRZLAXLDAMH-USWWRNFRSA-N 3 2 394.867 -1.077 20 0 GAADLP Nc1ncn(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218775725 1074026000 /nfs/dbraw/zinc/02/60/00/1074026000.db2.gz DEBKRZLAXLDAMH-WCQGTBRESA-N 3 2 394.867 -1.077 20 0 GAADLP Nc1ncn(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775726 1074025786 /nfs/dbraw/zinc/02/57/86/1074025786.db2.gz DEBKRZLAXLDAMH-YUSALJHKSA-N 3 2 394.867 -1.077 20 0 GAADLP Nc1ncn(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218775727 1074025929 /nfs/dbraw/zinc/02/59/29/1074025929.db2.gz DEBKRZLAXLDAMH-ZMLRMANQSA-N 3 2 394.867 -1.077 20 0 GAADLP Nc1ncn(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777489 1074026979 /nfs/dbraw/zinc/02/69/79/1074026979.db2.gz PVTHBJWPNQQQFA-NOTMTFQTSA-N 3 2 395.895 -1.148 20 0 GAADLP Nc1ncn(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777504 1074026859 /nfs/dbraw/zinc/02/68/59/1074026859.db2.gz PVTHBJWPNQQQFA-PECCFSRDSA-N 3 2 395.895 -1.148 20 0 GAADLP Nc1ncn(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777509 1074026934 /nfs/dbraw/zinc/02/69/34/1074026934.db2.gz PVTHBJWPNQQQFA-RYXKWFTGSA-N 3 2 395.895 -1.148 20 0 GAADLP Nc1ncn(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777511 1074026896 /nfs/dbraw/zinc/02/68/96/1074026896.db2.gz PVTHBJWPNQQQFA-ZXUSFQGYSA-N 3 2 395.895 -1.148 20 0 GAADLP COC(=O)[C@@H]([NH3+])CC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O ZINC001218780406 1074027695 /nfs/dbraw/zinc/02/76/95/1074027695.db2.gz ZENFBLILCKKTFW-GUBZILKMSA-N 2 2 386.840 -1.480 20 0 GAADLP COC(=O)[C@@H]([NH3+])CC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O ZINC001218780407 1074027858 /nfs/dbraw/zinc/02/78/58/1074027858.db2.gz ZENFBLILCKKTFW-KXUCPTDWSA-N 2 2 386.840 -1.480 20 0 GAADLP COC(=O)[C@@H]([NH3+])CC(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O ZINC001218780409 1074027733 /nfs/dbraw/zinc/02/77/33/1074027733.db2.gz ZENFBLILCKKTFW-LPEHRKFASA-N 2 2 386.840 -1.480 20 0 GAADLP COC(=O)[C@@H]([NH3+])CC(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O ZINC001218780411 1074027836 /nfs/dbraw/zinc/02/78/36/1074027836.db2.gz ZENFBLILCKKTFW-UTLUCORTSA-N 2 2 386.840 -1.480 20 0 GAADLP Nc1ncn(C(=O)C[NH2+]C2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782552 1074028133 /nfs/dbraw/zinc/02/81/33/1074028133.db2.gz VHGPIGPYXXIYAR-AAEUAGOBSA-N 3 2 397.911 -1.028 20 0 GAADLP Nc1ncn(C(=O)C[NH2+]C2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782620 1074028115 /nfs/dbraw/zinc/02/81/15/1074028115.db2.gz VHGPIGPYXXIYAR-DGCLKSJQSA-N 3 2 397.911 -1.028 20 0 GAADLP Nc1ncn(C(=O)C[NH2+]C2CC[NH2+]CC2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218782621 1074028080 /nfs/dbraw/zinc/02/80/80/1074028080.db2.gz VHGPIGPYXXIYAR-WCQYABFASA-N 3 2 397.911 -1.028 20 0 GAADLP Nc1ncn(C(=O)C[NH2+]C2CC[NH2+]CC2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218782622 1074028104 /nfs/dbraw/zinc/02/81/04/1074028104.db2.gz VHGPIGPYXXIYAR-YPMHNXCESA-N 3 2 397.911 -1.028 20 0 GAADLP Nc1ncn(C(=O)CN2CC[NH2+]CC2=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218784289 1074028262 /nfs/dbraw/zinc/02/82/62/1074028262.db2.gz YCYXUBZYXYBNQI-GHMZBOCLSA-N 2 2 397.867 -1.938 20 0 GAADLP Nc1ncn(C(=O)CN2CC[NH2+]CC2=O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218784292 1074028244 /nfs/dbraw/zinc/02/82/44/1074028244.db2.gz YCYXUBZYXYBNQI-MNOVXSKESA-N 2 2 397.867 -1.938 20 0 GAADLP Nc1ncn(C(=O)CN2CC[NH2+]CC2=O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218784293 1074028043 /nfs/dbraw/zinc/02/80/43/1074028043.db2.gz YCYXUBZYXYBNQI-QWRGUYRKSA-N 2 2 397.867 -1.938 20 0 GAADLP Nc1ncn(C(=O)CN2CC[NH2+]CC2=O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218784296 1074028217 /nfs/dbraw/zinc/02/82/17/1074028217.db2.gz YCYXUBZYXYBNQI-WDEREUQCSA-N 2 2 397.867 -1.938 20 0 GAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001218812441 1074028583 /nfs/dbraw/zinc/02/85/83/1074028583.db2.gz TXRVLVLYYODIGK-UHFFFAOYSA-N 2 2 387.400 -1.882 20 0 GAADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1Cl ZINC001218876612 1074029548 /nfs/dbraw/zinc/02/95/48/1074029548.db2.gz KDPJGXVIEKIOOR-FSPLSTOPSA-N 2 2 397.866 -1.880 20 0 GAADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1Cl ZINC001218877648 1074029620 /nfs/dbraw/zinc/02/96/20/1074029620.db2.gz VKPBGRQTYRNWNC-LURJTMIESA-N 2 2 385.855 -1.751 20 0 GAADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)cc1Cl ZINC001218877962 1074029588 /nfs/dbraw/zinc/02/95/88/1074029588.db2.gz XEDPYKSTTIXIQU-XNCJUZBTSA-N 2 2 397.866 -1.738 20 0 GAADLP NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1Cl ZINC001218877963 1074029433 /nfs/dbraw/zinc/02/94/33/1074029433.db2.gz XEDPYKSTTIXIQU-XRGYYRRGSA-N 2 2 397.866 -1.738 20 0 GAADLP C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001219568073 1074032220 /nfs/dbraw/zinc/03/22/20/1074032220.db2.gz YGRJMUWAVBFSAT-YOEHRIQHSA-N 2 2 394.472 -1.162 20 0 GAADLP Cn1c[nH+]c(CCNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)c1 ZINC001219633631 1074032368 /nfs/dbraw/zinc/03/23/68/1074032368.db2.gz ADGFZZDQJGTHLT-HOTGVXAUSA-N 2 2 375.429 -1.169 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)CC[NH+]1C ZINC001219660584 1074033344 /nfs/dbraw/zinc/03/33/44/1074033344.db2.gz DMQFIRMAIIPBKZ-YJNKXOJESA-N 2 2 376.523 -1.231 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@@H]2O)CC[NH+]1C ZINC001219660584 1074033335 /nfs/dbraw/zinc/03/33/35/1074033335.db2.gz DMQFIRMAIIPBKZ-YJNKXOJESA-N 2 2 376.523 -1.231 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@@H]2O)CC[N@H+]1C ZINC001219660584 1074033323 /nfs/dbraw/zinc/03/33/23/1074033323.db2.gz DMQFIRMAIIPBKZ-YJNKXOJESA-N 2 2 376.523 -1.231 20 0 GAADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN(C)S(C)(=O)=O)C[C@@H]2O)CC[N@@H+]1C ZINC001219660584 1074033314 /nfs/dbraw/zinc/03/33/14/1074033314.db2.gz DMQFIRMAIIPBKZ-YJNKXOJESA-N 2 2 376.523 -1.231 20 0 GAADLP [NH3+][C@@H](CC(=O)OCc1ccccc1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676266 1074033921 /nfs/dbraw/zinc/03/39/21/1074033921.db2.gz DEPUCBPNHUJXJF-HNNXBMFYSA-N 2 2 398.485 -1.202 20 0 GAADLP [NH3+][C@@H](CC(=O)OC1CCCCC1)C(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219676897 1074034022 /nfs/dbraw/zinc/03/40/22/1074034022.db2.gz YNWRQZZXEQMICC-AWEZNQCLSA-N 2 2 390.506 -1.069 20 0 GAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC(=O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678064 1074034394 /nfs/dbraw/zinc/03/43/94/1074034394.db2.gz AWUSHQQBMATEDJ-LBPRGKRZSA-N 2 2 393.510 -2.404 20 0 GAADLP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219693930 1074034916 /nfs/dbraw/zinc/03/49/16/1074034916.db2.gz AHZDZNKTPLNHQJ-JYJNAYRXSA-N 2 2 397.520 -1.168 20 0 GAADLP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219693930 1074034909 /nfs/dbraw/zinc/03/49/09/1074034909.db2.gz AHZDZNKTPLNHQJ-JYJNAYRXSA-N 2 2 397.520 -1.168 20 0 GAADLP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219693931 1074035101 /nfs/dbraw/zinc/03/51/01/1074035101.db2.gz AHZDZNKTPLNHQJ-PMPSAXMXSA-N 2 2 397.520 -1.168 20 0 GAADLP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219693931 1074035097 /nfs/dbraw/zinc/03/50/97/1074035097.db2.gz AHZDZNKTPLNHQJ-PMPSAXMXSA-N 2 2 397.520 -1.168 20 0 GAADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001219694630 1074035064 /nfs/dbraw/zinc/03/50/64/1074035064.db2.gz KZGGIKQVVDFETO-JYJNAYRXSA-N 2 2 380.445 -1.814 20 0 GAADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001219694630 1074035059 /nfs/dbraw/zinc/03/50/59/1074035059.db2.gz KZGGIKQVVDFETO-JYJNAYRXSA-N 2 2 380.445 -1.814 20 0 GAADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001219694645 1074035128 /nfs/dbraw/zinc/03/51/28/1074035128.db2.gz KZGGIKQVVDFETO-PMPSAXMXSA-N 2 2 380.445 -1.814 20 0 GAADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC001219694645 1074035121 /nfs/dbraw/zinc/03/51/21/1074035121.db2.gz KZGGIKQVVDFETO-PMPSAXMXSA-N 2 2 380.445 -1.814 20 0 GAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867010 1074037693 /nfs/dbraw/zinc/03/76/93/1074037693.db2.gz HRHNBCUPUIRWNF-APIJFGDWSA-N 2 2 392.522 -1.804 20 0 GAADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867010 1074037683 /nfs/dbraw/zinc/03/76/83/1074037683.db2.gz HRHNBCUPUIRWNF-APIJFGDWSA-N 2 2 392.522 -1.804 20 0 GAADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867010 1074037673 /nfs/dbraw/zinc/03/76/73/1074037673.db2.gz HRHNBCUPUIRWNF-APIJFGDWSA-N 2 2 392.522 -1.804 20 0 GAADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867010 1074037667 /nfs/dbraw/zinc/03/76/67/1074037667.db2.gz HRHNBCUPUIRWNF-APIJFGDWSA-N 2 2 392.522 -1.804 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCS(=O)(=O)N(C)C)C[C@@H]2O)O1 ZINC001219868188 1074038305 /nfs/dbraw/zinc/03/83/05/1074038305.db2.gz YURGYEKLCWSUKL-APIJFGDWSA-N 2 2 392.522 -1.852 20 0 GAADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCS(=O)(=O)N(C)C)C[C@@H]2O)O1 ZINC001219868188 1074038296 /nfs/dbraw/zinc/03/82/96/1074038296.db2.gz YURGYEKLCWSUKL-APIJFGDWSA-N 2 2 392.522 -1.852 20 0 GAADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCS(=O)(=O)N(C)C)C[C@@H]2O)O1 ZINC001219868188 1074038282 /nfs/dbraw/zinc/03/82/82/1074038282.db2.gz YURGYEKLCWSUKL-APIJFGDWSA-N 2 2 392.522 -1.852 20 0 GAADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCS(=O)(=O)N(C)C)C[C@@H]2O)O1 ZINC001219868188 1074038269 /nfs/dbraw/zinc/03/82/69/1074038269.db2.gz YURGYEKLCWSUKL-APIJFGDWSA-N 2 2 392.522 -1.852 20 0 GAADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220106487 1074042659 /nfs/dbraw/zinc/04/26/59/1074042659.db2.gz PBBTWNMPEOBVRR-INIZCTEOSA-N 2 2 391.472 -1.287 20 0 GAADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001220106488 1074042601 /nfs/dbraw/zinc/04/26/01/1074042601.db2.gz PBBTWNMPEOBVRR-MRXNPFEDSA-N 2 2 391.472 -1.287 20 0 GAADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220189962 1074043779 /nfs/dbraw/zinc/04/37/79/1074043779.db2.gz YYOUATFKBYRUSP-SRVKXCTJSA-N 2 2 375.420 -1.198 20 0 GAADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220189963 1074043757 /nfs/dbraw/zinc/04/37/57/1074043757.db2.gz YYOUATFKBYRUSP-TUAOUCFPSA-N 2 2 375.420 -1.198 20 0 GAADLP C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197379 1074044003 /nfs/dbraw/zinc/04/40/03/1074044003.db2.gz AKFAVLPVCBGLKU-KBPBESRZSA-N 2 2 381.477 -1.578 20 0 GAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197798 1074043732 /nfs/dbraw/zinc/04/37/32/1074043732.db2.gz SCSUPIUHKWELHW-UHFFFAOYSA-N 2 2 384.437 -3.725 20 0 GAADLP COCCn1c[nH+]cc1CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+] ZINC001220274588 1074045027 /nfs/dbraw/zinc/04/50/27/1074045027.db2.gz JNFOJMWZFTWDES-UHFFFAOYSA-N 2 2 383.409 -3.547 20 0 GAADLP COCCn1c[nH+]cc1CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220275248 1074044986 /nfs/dbraw/zinc/04/49/86/1074044986.db2.gz WMLZBEZOUKDWOR-JSGCOSHPSA-N 2 2 380.449 -1.400 20 0 GAADLP CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284619 1074045074 /nfs/dbraw/zinc/04/50/74/1074045074.db2.gz SYOXLGKAPUCQQI-BEAPCOKYSA-N 2 2 399.469 -1.139 20 0 GAADLP CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284621 1074045056 /nfs/dbraw/zinc/04/50/56/1074045056.db2.gz SYOXLGKAPUCQQI-MHEUCROKSA-N 2 2 399.469 -1.139 20 0 GAADLP CCOC(=O)[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284642 1074044777 /nfs/dbraw/zinc/04/47/77/1074044777.db2.gz UCVQHLXOXPUABW-XQLPTFJDSA-N 2 2 399.469 -1.282 20 0 GAADLP CC(=O)NCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220383098 1074047895 /nfs/dbraw/zinc/04/78/95/1074047895.db2.gz XUKBOIHBNDVQNL-ANQUJSFKSA-N 2 2 379.461 -1.162 20 0 GAADLP CC(=O)NCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001220383098 1074047885 /nfs/dbraw/zinc/04/78/85/1074047885.db2.gz XUKBOIHBNDVQNL-ANQUJSFKSA-N 2 2 379.461 -1.162 20 0 GAADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CC[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220506986 1074049885 /nfs/dbraw/zinc/04/98/85/1074049885.db2.gz QSCPNSJMVBOKBP-ADLLZNHASA-N 4 2 389.541 -1.042 20 0 GAADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CC[NH3+])[C@@H](O)OC(C)(C)C)C1 ZINC001220506987 1074049610 /nfs/dbraw/zinc/04/96/10/1074049610.db2.gz QSCPNSJMVBOKBP-HPEALNBZSA-N 4 2 389.541 -1.042 20 0 GAADLP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CC[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220506988 1074049832 /nfs/dbraw/zinc/04/98/32/1074049832.db2.gz QSCPNSJMVBOKBP-PTCFPADLSA-N 4 2 389.541 -1.042 20 0 GAADLP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)[C@@H]([NH3+])CC[NH3+])[C@H](O)OC(C)(C)C)C1 ZINC001220506989 1074049723 /nfs/dbraw/zinc/04/97/23/1074049723.db2.gz QSCPNSJMVBOKBP-YGYYXPQVSA-N 4 2 389.541 -1.042 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC1 ZINC001220580548 1074051457 /nfs/dbraw/zinc/05/14/57/1074051457.db2.gz QDKDTPOPKSPFIN-MAUKXSAKSA-N 2 2 383.493 -1.278 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC1 ZINC001220580548 1074051447 /nfs/dbraw/zinc/05/14/47/1074051447.db2.gz QDKDTPOPKSPFIN-MAUKXSAKSA-N 2 2 383.493 -1.278 20 0 GAADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2COCC[NH2+]2)c2nonc21 ZINC001220747938 1074053036 /nfs/dbraw/zinc/05/30/36/1074053036.db2.gz CMTZDRVMFBQPRX-JTQLQIEISA-N 2 2 398.445 -1.247 20 0 GAADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c2nonc21 ZINC001220748823 1074053612 /nfs/dbraw/zinc/05/36/12/1074053612.db2.gz MYNRCPMGMPAORO-UWVGGRQHSA-N 3 2 397.461 -1.546 20 0 GAADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c2nonc21 ZINC001220748824 1074053627 /nfs/dbraw/zinc/05/36/27/1074053627.db2.gz MYNRCPMGMPAORO-ZJUUUORDSA-N 3 2 397.461 -1.546 20 0 GAADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c2nonc21 ZINC001220749128 1074053451 /nfs/dbraw/zinc/05/34/51/1074053451.db2.gz RDDYZHINRDYPGV-UWVGGRQHSA-N 3 2 397.461 -1.689 20 0 GAADLP CN(C)S(=O)(=O)c1ccc(N(CC[NH3+])C(=O)[C@@H]([NH3+])CC[NH3+])c2nonc21 ZINC001220749440 1074053466 /nfs/dbraw/zinc/05/34/66/1074053466.db2.gz VRUFNRNIPURQRO-VIFPVBQESA-N 3 2 385.450 -1.559 20 0 GAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220771984 1074053496 /nfs/dbraw/zinc/05/34/96/1074053496.db2.gz HMIYVJHWWYXUDN-QWHCGFSZSA-N 2 2 383.449 -1.121 20 0 GAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220771985 1074053389 /nfs/dbraw/zinc/05/33/89/1074053389.db2.gz HMIYVJHWWYXUDN-STQMWFEESA-N 2 2 383.449 -1.121 20 0 GAADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001220773051 1074053911 /nfs/dbraw/zinc/05/39/11/1074053911.db2.gz ZKRZYPKWHKNEAS-DRZSPHRISA-N 2 2 381.433 -1.069 20 0 GAADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)[NH3+] ZINC001220773052 1074053825 /nfs/dbraw/zinc/05/38/25/1074053825.db2.gz ZKRZYPKWHKNEAS-UHTWSYAYSA-N 2 2 381.433 -1.069 20 0 GAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)NCCN1CC[NH2+]CC1=O ZINC001220874221 1074054369 /nfs/dbraw/zinc/05/43/69/1074054369.db2.gz FKQFEDWSASGPJB-KBPBESRZSA-N 2 2 383.493 -1.332 20 0 GAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001220933887 1074055296 /nfs/dbraw/zinc/05/52/96/1074055296.db2.gz FEGSNDQVERFYQK-GFCCVEGCSA-N 2 2 391.432 -2.916 20 0 GAADLP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966754 1074055548 /nfs/dbraw/zinc/05/55/48/1074055548.db2.gz FCTMMHFXIAYLGP-IGQOVBAYSA-N 2 2 392.416 -1.675 20 0 GAADLP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966798 1074056048 /nfs/dbraw/zinc/05/60/48/1074056048.db2.gz GMOMSTFUTLCONK-QEHJDLSMSA-N 2 2 379.417 -2.028 20 0 GAADLP Cc1cn([C@H]2C[C@H](NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966875 1074055945 /nfs/dbraw/zinc/05/59/45/1074055945.db2.gz JOFOYKPXJZXOMI-SMRJSSSNSA-N 2 2 379.417 -1.756 20 0 GAADLP Cc1cn([C@H]2C[C@H](NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966909 1074055921 /nfs/dbraw/zinc/05/59/21/1074055921.db2.gz KSNSDGQLQCRGOR-WUHRBBMRSA-N 2 2 378.389 -1.685 20 0 GAADLP Cc1cn([C@H]2C[C@H](NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966910 1074055998 /nfs/dbraw/zinc/05/59/98/1074055998.db2.gz KSNSDGQLQCRGOR-YVECIDJPSA-N 2 2 378.389 -1.685 20 0 GAADLP Cc1cn([C@H]2C[C@H](NC(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967185 1074056141 /nfs/dbraw/zinc/05/61/41/1074056141.db2.gz VDGDWMYVSQEGCT-CTPFVTRSSA-N 2 2 379.417 -2.027 20 0 GAADLP Cc1cn([C@H]2C[C@H](NC(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967186 1074056186 /nfs/dbraw/zinc/05/61/86/1074056186.db2.gz VDGDWMYVSQEGCT-OSFKPRLVSA-N 2 2 379.417 -2.027 20 0 GAADLP Cc1cn([C@H]2C[C@H](NC(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967187 1074056625 /nfs/dbraw/zinc/05/66/25/1074056625.db2.gz VDGDWMYVSQEGCT-QMZWZUABSA-N 2 2 379.417 -2.027 20 0 GAADLP Cc1cn([C@H]2C[C@H](NC(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967188 1074056657 /nfs/dbraw/zinc/05/66/57/1074056657.db2.gz VDGDWMYVSQEGCT-ZJAHRSJLSA-N 2 2 379.417 -2.027 20 0 GAADLP [NH3+]CC(=O)NCC(=O)NCC(=O)NCC(=O)NCc1c[nH+]cn1C1CCC1 ZINC001221023910 1074057183 /nfs/dbraw/zinc/05/71/83/1074057183.db2.gz VFGWDWGZSSCCOK-UHFFFAOYSA-N 2 2 379.421 -2.468 20 0 GAADLP CCC(CC)[C@@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221068407 1074057582 /nfs/dbraw/zinc/05/75/82/1074057582.db2.gz XJBAICGHVLHQLT-UQHOVQSVSA-N 2 2 397.480 -1.512 20 0 GAADLP CCC(CC)[C@@H](NC(=O)CN1CC[NH2+]CC1=O)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221070005 1074057597 /nfs/dbraw/zinc/05/75/97/1074057597.db2.gz BBFTXCTUUKDBGE-NYMASUJMSA-N 2 2 398.504 -1.164 20 0 GAADLP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221148475 1074057519 /nfs/dbraw/zinc/05/75/19/1074057519.db2.gz CJGBDEXMDBCYFL-VBNZEHGJSA-N 3 2 379.486 -1.118 20 0 GAADLP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221148626 1074058056 /nfs/dbraw/zinc/05/80/56/1074058056.db2.gz IZHVQUABMNOUNQ-CXAGYDPISA-N 3 2 379.486 -1.116 20 0 GAADLP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221148627 1074058099 /nfs/dbraw/zinc/05/80/99/1074058099.db2.gz IZHVQUABMNOUNQ-DYVFJYSZSA-N 3 2 379.486 -1.116 20 0 GAADLP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221148628 1074058319 /nfs/dbraw/zinc/05/83/19/1074058319.db2.gz IZHVQUABMNOUNQ-GUYCJALGSA-N 3 2 379.486 -1.116 20 0 GAADLP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221148629 1074058187 /nfs/dbraw/zinc/05/81/87/1074058187.db2.gz IZHVQUABMNOUNQ-SUMWQHHRSA-N 3 2 379.486 -1.116 20 0 GAADLP [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001221148789 1074058146 /nfs/dbraw/zinc/05/81/46/1074058146.db2.gz PCMDSDVWTHNDRH-LBPRGKRZSA-N 2 2 380.434 -1.984 20 0 GAADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001221256604 1074058923 /nfs/dbraw/zinc/05/89/23/1074058923.db2.gz DSBDIVSNSZEYAT-LBPRGKRZSA-N 2 2 375.451 -1.769 20 0 GAADLP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)cc(=O)oc2c1 ZINC001221265596 1074058852 /nfs/dbraw/zinc/05/88/52/1074058852.db2.gz NEPMSNDMVWQAQR-IEAZIUSSSA-N 2 2 388.428 -1.810 20 0 GAADLP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)cc(=O)oc2c1 ZINC001221265597 1074058730 /nfs/dbraw/zinc/05/87/30/1074058730.db2.gz NEPMSNDMVWQAQR-NKKGCODLSA-N 2 2 388.428 -1.810 20 0 GAADLP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)cc(=O)oc2c1 ZINC001221265598 1074058618 /nfs/dbraw/zinc/05/86/18/1074058618.db2.gz NEPMSNDMVWQAQR-OSMBCOQSSA-N 2 2 388.428 -1.810 20 0 GAADLP COc1ccc2c(C[C@H]([NH3+])C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)cc(=O)oc2c1 ZINC001221265599 1074058981 /nfs/dbraw/zinc/05/89/81/1074058981.db2.gz NEPMSNDMVWQAQR-STECZYCISA-N 2 2 388.428 -1.810 20 0 GAADLP CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)ccc2O1 ZINC001221266011 1074058874 /nfs/dbraw/zinc/05/88/74/1074058874.db2.gz RNJCTUSOKMZWQZ-DRPJVOAASA-N 2 2 376.461 -1.279 20 0 GAADLP CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)ccc2O1 ZINC001221266016 1074058675 /nfs/dbraw/zinc/05/86/75/1074058675.db2.gz RNJCTUSOKMZWQZ-QCEMKRCNSA-N 2 2 376.461 -1.279 20 0 GAADLP CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)ccc2O1 ZINC001221266017 1074058936 /nfs/dbraw/zinc/05/89/36/1074058936.db2.gz RNJCTUSOKMZWQZ-TUUVXOQKSA-N 2 2 376.461 -1.279 20 0 GAADLP CC1(C)OCc2cc(C[C@H]([NH3+])C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)ccc2O1 ZINC001221266019 1074059310 /nfs/dbraw/zinc/05/93/10/1074059310.db2.gz RNJCTUSOKMZWQZ-UKMLZYKCSA-N 2 2 376.461 -1.279 20 0 GAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001221266478 1074059260 /nfs/dbraw/zinc/05/92/60/1074059260.db2.gz WNSQFQJQZNKWHQ-HPCHECBXSA-N 2 2 383.497 -2.361 20 0 GAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001221266479 1074059140 /nfs/dbraw/zinc/05/91/40/1074059140.db2.gz WNSQFQJQZNKWHQ-HTVCTNPSSA-N 2 2 383.497 -2.361 20 0 GAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001221266480 1074059461 /nfs/dbraw/zinc/05/94/61/1074059461.db2.gz WNSQFQJQZNKWHQ-PDWCTOEPSA-N 2 2 383.497 -2.361 20 0 GAADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001221266481 1074059189 /nfs/dbraw/zinc/05/91/89/1074059189.db2.gz WNSQFQJQZNKWHQ-PEDHHIEDSA-N 2 2 383.497 -2.361 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001221347734 1074060090 /nfs/dbraw/zinc/06/00/90/1074060090.db2.gz BXGTVXRZCKSDMB-CRWXNKLISA-N 2 2 380.424 -1.139 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001221347734 1074060081 /nfs/dbraw/zinc/06/00/81/1074060081.db2.gz BXGTVXRZCKSDMB-CRWXNKLISA-N 2 2 380.424 -1.139 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001221347735 1074060167 /nfs/dbraw/zinc/06/01/67/1074060167.db2.gz BXGTVXRZCKSDMB-MQYQWHSLSA-N 2 2 380.424 -1.139 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001221347735 1074060161 /nfs/dbraw/zinc/06/01/61/1074060161.db2.gz BXGTVXRZCKSDMB-MQYQWHSLSA-N 2 2 380.424 -1.139 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001221347736 1074059778 /nfs/dbraw/zinc/05/97/78/1074059778.db2.gz BXGTVXRZCKSDMB-RFGFWPKPSA-N 2 2 380.424 -1.139 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001221347736 1074059769 /nfs/dbraw/zinc/05/97/69/1074059769.db2.gz BXGTVXRZCKSDMB-RFGFWPKPSA-N 2 2 380.424 -1.139 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001221347737 1074059879 /nfs/dbraw/zinc/05/98/79/1074059879.db2.gz BXGTVXRZCKSDMB-XUXIUFHCSA-N 2 2 380.424 -1.139 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001221347737 1074059873 /nfs/dbraw/zinc/05/98/73/1074059873.db2.gz BXGTVXRZCKSDMB-XUXIUFHCSA-N 2 2 380.424 -1.139 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001221348506 1074060111 /nfs/dbraw/zinc/06/01/11/1074060111.db2.gz KMVBIPSFANPVQJ-KKUMJFAQSA-N 3 2 391.476 -1.760 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001221348510 1074060139 /nfs/dbraw/zinc/06/01/39/1074060139.db2.gz KMVBIPSFANPVQJ-SOUVJXGZSA-N 3 2 391.476 -1.760 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001221348861 1074060553 /nfs/dbraw/zinc/06/05/53/1074060553.db2.gz OTKKCTDDLWQRDI-IHRRRGAJSA-N 3 2 379.465 -1.630 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001221348906 1074060465 /nfs/dbraw/zinc/06/04/65/1074060465.db2.gz PYPQEBOFGWWUPE-QEJZJMRPSA-N 3 2 393.492 -1.240 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001221348906 1074060455 /nfs/dbraw/zinc/06/04/55/1074060455.db2.gz PYPQEBOFGWWUPE-QEJZJMRPSA-N 3 2 393.492 -1.240 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CC[NH2+]CC1 ZINC001221349191 1074060629 /nfs/dbraw/zinc/06/06/29/1074060629.db2.gz SWWDXFOZOSROTR-KBPBESRZSA-N 2 2 377.449 -2.182 20 0 GAADLP NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CC[NH2+]CC1 ZINC001221349191 1074060624 /nfs/dbraw/zinc/06/06/24/1074060624.db2.gz SWWDXFOZOSROTR-KBPBESRZSA-N 2 2 377.449 -2.182 20 0 GAADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349417 1074060606 /nfs/dbraw/zinc/06/06/06/1074060606.db2.gz XAOFQHNJPHYFOP-KKUMJFAQSA-N 3 2 393.492 -1.370 20 0 GAADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349417 1074060599 /nfs/dbraw/zinc/06/05/99/1074060599.db2.gz XAOFQHNJPHYFOP-KKUMJFAQSA-N 3 2 393.492 -1.370 20 0 GAADLP Cn1cc(C[N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c(=O)n(C)c1=O ZINC001231767097 1074076535 /nfs/dbraw/zinc/07/65/35/1074076535.db2.gz GWXVAQNQQPLVDK-UHFFFAOYSA-N 2 2 390.444 -1.078 20 0 GAADLP Cn1cc(C[N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)c(=O)n(C)c1=O ZINC001231767097 1074076526 /nfs/dbraw/zinc/07/65/26/1074076526.db2.gz GWXVAQNQQPLVDK-UHFFFAOYSA-N 2 2 390.444 -1.078 20 0 GAADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238839914 1074092376 /nfs/dbraw/zinc/09/23/76/1074092376.db2.gz WHFKNSXCWQKDTM-UHFFFAOYSA-N 2 2 392.503 -1.466 20 0 GAADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)CC[NH3+])C2 ZINC001239077787 1074092442 /nfs/dbraw/zinc/09/24/42/1074092442.db2.gz OEIBNWCQNBVKDS-AWEZNQCLSA-N 2 2 387.506 -1.043 20 0 GAADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)CC[NH3+])C2 ZINC001239077788 1074093031 /nfs/dbraw/zinc/09/30/31/1074093031.db2.gz OEIBNWCQNBVKDS-CQSZACIVSA-N 2 2 387.506 -1.043 20 0 GAADLP Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246214274 1074095757 /nfs/dbraw/zinc/09/57/57/1074095757.db2.gz UZKNCJUXTNQIFQ-VEBKFKNKSA-N 2 2 375.433 -1.100 20 0 GAADLP COC(=O)[C@@H]1C[C@@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[NH2+]1 ZINC001246482623 1074096965 /nfs/dbraw/zinc/09/69/65/1074096965.db2.gz PAISAWCHYAYIFJ-RFGFWPKPSA-N 2 2 378.433 -1.695 20 0 GAADLP COC(=O)[C@@H]1C[C@H](n2cncc2C[C@H]([NH3+])C(=O)N2CCC[C@H]2C(N)=O)C[NH2+]1 ZINC001246482624 1074097129 /nfs/dbraw/zinc/09/71/29/1074097129.db2.gz PAISAWCHYAYIFJ-XUXIUFHCSA-N 2 2 378.433 -1.695 20 0 GAADLP CS(=O)(=O)N(Cc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246754926 1074098425 /nfs/dbraw/zinc/09/84/25/1074098425.db2.gz OUTQPPAQRJFQFH-AWEZNQCLSA-N 2 2 396.517 -1.408 20 0 GAADLP CS(=O)(=O)N(Cc1cc(=O)n2c(n1)C[NH2+]CCC2)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246754938 1074098485 /nfs/dbraw/zinc/09/84/85/1074098485.db2.gz OUTQPPAQRJFQFH-CQSZACIVSA-N 2 2 396.517 -1.408 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001255498157 1074150943 /nfs/dbraw/zinc/15/09/43/1074150943.db2.gz JRYVZGARFDLNQG-GXTWGEPZSA-N 2 2 389.522 -1.594 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001255498157 1074150940 /nfs/dbraw/zinc/15/09/40/1074150940.db2.gz JRYVZGARFDLNQG-GXTWGEPZSA-N 2 2 389.522 -1.594 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001255498158 1074150895 /nfs/dbraw/zinc/15/08/95/1074150895.db2.gz JRYVZGARFDLNQG-JSGCOSHPSA-N 2 2 389.522 -1.594 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001255498158 1074150894 /nfs/dbraw/zinc/15/08/94/1074150894.db2.gz JRYVZGARFDLNQG-JSGCOSHPSA-N 2 2 389.522 -1.594 20 0 GAADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001255498159 1074150882 /nfs/dbraw/zinc/15/08/82/1074150882.db2.gz JRYVZGARFDLNQG-OCCSQVGLSA-N 2 2 389.522 -1.594 20 0 GAADLP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001255498159 1074150881 /nfs/dbraw/zinc/15/08/81/1074150881.db2.gz JRYVZGARFDLNQG-OCCSQVGLSA-N 2 2 389.522 -1.594 20 0 GAADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001255498160 1074150912 /nfs/dbraw/zinc/15/09/12/1074150912.db2.gz JRYVZGARFDLNQG-TZMCWYRMSA-N 2 2 389.522 -1.594 20 0 GAADLP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001255498160 1074150910 /nfs/dbraw/zinc/15/09/10/1074150910.db2.gz JRYVZGARFDLNQG-TZMCWYRMSA-N 2 2 389.522 -1.594 20 0 GAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001257207498 1074165835 /nfs/dbraw/zinc/16/58/35/1074165835.db2.gz VLNKNUVNWVKYAM-CVEARBPZSA-N 2 2 378.477 -1.090 20 0 GAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001257207498 1074165830 /nfs/dbraw/zinc/16/58/30/1074165830.db2.gz VLNKNUVNWVKYAM-CVEARBPZSA-N 2 2 378.477 -1.090 20 0 GAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001257207499 1074165562 /nfs/dbraw/zinc/16/55/62/1074165562.db2.gz VLNKNUVNWVKYAM-HOTGVXAUSA-N 2 2 378.477 -1.090 20 0 GAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001257207499 1074165548 /nfs/dbraw/zinc/16/55/48/1074165548.db2.gz VLNKNUVNWVKYAM-HOTGVXAUSA-N 2 2 378.477 -1.090 20 0 GAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001257207500 1074165702 /nfs/dbraw/zinc/16/57/02/1074165702.db2.gz VLNKNUVNWVKYAM-HZPDHXFCSA-N 2 2 378.477 -1.090 20 0 GAADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001257207500 1074165696 /nfs/dbraw/zinc/16/56/96/1074165696.db2.gz VLNKNUVNWVKYAM-HZPDHXFCSA-N 2 2 378.477 -1.090 20 0 GAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001257207501 1074165645 /nfs/dbraw/zinc/16/56/45/1074165645.db2.gz VLNKNUVNWVKYAM-JKSUJKDBSA-N 2 2 378.477 -1.090 20 0 GAADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001257207501 1074165636 /nfs/dbraw/zinc/16/56/36/1074165636.db2.gz VLNKNUVNWVKYAM-JKSUJKDBSA-N 2 2 378.477 -1.090 20 0 GAADLP CC[C@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001257436631 1074169033 /nfs/dbraw/zinc/16/90/33/1074169033.db2.gz SMJGGLKHBLVTHB-QEJZJMRPSA-N 3 2 395.508 -1.061 20 0 GAADLP CC[C@@H](C)n1c[nH+]c(C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NCC(N)=O)c1 ZINC001257436632 1074168937 /nfs/dbraw/zinc/16/89/37/1074168937.db2.gz SMJGGLKHBLVTHB-SNPRPXQTSA-N 3 2 395.508 -1.061 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001257473790 1074170576 /nfs/dbraw/zinc/17/05/76/1074170576.db2.gz ZQGVIQBYFRMYGU-AWEZNQCLSA-N 2 2 386.518 -1.036 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001257473790 1074170572 /nfs/dbraw/zinc/17/05/72/1074170572.db2.gz ZQGVIQBYFRMYGU-AWEZNQCLSA-N 2 2 386.518 -1.036 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001257473792 1074170529 /nfs/dbraw/zinc/17/05/29/1074170529.db2.gz ZQGVIQBYFRMYGU-CQSZACIVSA-N 2 2 386.518 -1.036 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC001257473792 1074170523 /nfs/dbraw/zinc/17/05/23/1074170523.db2.gz ZQGVIQBYFRMYGU-CQSZACIVSA-N 2 2 386.518 -1.036 20 0 GAADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001257581375 1074172343 /nfs/dbraw/zinc/17/23/43/1074172343.db2.gz NAYIQYMNWLJNEY-INIZCTEOSA-N 2 2 378.477 -1.170 20 0 GAADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001257581375 1074172336 /nfs/dbraw/zinc/17/23/36/1074172336.db2.gz NAYIQYMNWLJNEY-INIZCTEOSA-N 2 2 378.477 -1.170 20 0 GAADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001257581389 1074172121 /nfs/dbraw/zinc/17/21/21/1074172121.db2.gz NAYIQYMNWLJNEY-MRXNPFEDSA-N 2 2 378.477 -1.170 20 0 GAADLP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001257581389 1074172113 /nfs/dbraw/zinc/17/21/13/1074172113.db2.gz NAYIQYMNWLJNEY-MRXNPFEDSA-N 2 2 378.477 -1.170 20 0 GAADLP CN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001258381555 1074183781 /nfs/dbraw/zinc/18/37/81/1074183781.db2.gz BKDDZUAYKLQNNY-MSOLQXFVSA-N 2 2 394.564 -1.025 20 0 GAADLP CN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001258381555 1074183777 /nfs/dbraw/zinc/18/37/77/1074183777.db2.gz BKDDZUAYKLQNNY-MSOLQXFVSA-N 2 2 394.564 -1.025 20 0 GAADLP CN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001258381561 1074183797 /nfs/dbraw/zinc/18/37/97/1074183797.db2.gz BKDDZUAYKLQNNY-QZTJIDSGSA-N 2 2 394.564 -1.025 20 0 GAADLP CN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001258381561 1074183789 /nfs/dbraw/zinc/18/37/89/1074183789.db2.gz BKDDZUAYKLQNNY-QZTJIDSGSA-N 2 2 394.564 -1.025 20 0 GAADLP CN(C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001258381562 1074183707 /nfs/dbraw/zinc/18/37/07/1074183707.db2.gz BKDDZUAYKLQNNY-ROUUACIJSA-N 2 2 394.564 -1.025 20 0 GAADLP CN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001258381562 1074183702 /nfs/dbraw/zinc/18/37/02/1074183702.db2.gz BKDDZUAYKLQNNY-ROUUACIJSA-N 2 2 394.564 -1.025 20 0 GAADLP CN(C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001258381563 1074183758 /nfs/dbraw/zinc/18/37/58/1074183758.db2.gz BKDDZUAYKLQNNY-ZWKOTPCHSA-N 2 2 394.564 -1.025 20 0 GAADLP CN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001258381563 1074183748 /nfs/dbraw/zinc/18/37/48/1074183748.db2.gz BKDDZUAYKLQNNY-ZWKOTPCHSA-N 2 2 394.564 -1.025 20 0 GAADLP CN(CCNS(C)(=O)=O)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001258414701 1074185550 /nfs/dbraw/zinc/18/55/50/1074185550.db2.gz XMZMGHKSZMOSDU-CYBMUJFWSA-N 2 2 389.522 -1.721 20 0 GAADLP CN(CCNS(C)(=O)=O)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001258414701 1074185542 /nfs/dbraw/zinc/18/55/42/1074185542.db2.gz XMZMGHKSZMOSDU-CYBMUJFWSA-N 2 2 389.522 -1.721 20 0 GAADLP CN(CCNS(C)(=O)=O)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001258414702 1074185639 /nfs/dbraw/zinc/18/56/39/1074185639.db2.gz XMZMGHKSZMOSDU-ZDUSSCGKSA-N 2 2 389.522 -1.721 20 0 GAADLP CN(CCNS(C)(=O)=O)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001258414702 1074185632 /nfs/dbraw/zinc/18/56/32/1074185632.db2.gz XMZMGHKSZMOSDU-ZDUSSCGKSA-N 2 2 389.522 -1.721 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001258475046 1074188022 /nfs/dbraw/zinc/18/80/22/1074188022.db2.gz BCJTTZDTCSGVPQ-BBWFWOEESA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001258475046 1074188017 /nfs/dbraw/zinc/18/80/17/1074188017.db2.gz BCJTTZDTCSGVPQ-BBWFWOEESA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC001258475046 1074188013 /nfs/dbraw/zinc/18/80/13/1074188013.db2.gz BCJTTZDTCSGVPQ-BBWFWOEESA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC001258475046 1074188009 /nfs/dbraw/zinc/18/80/09/1074188009.db2.gz BCJTTZDTCSGVPQ-BBWFWOEESA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001258475047 1074188113 /nfs/dbraw/zinc/18/81/13/1074188113.db2.gz BCJTTZDTCSGVPQ-GVDBMIGSSA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC001258475047 1074188111 /nfs/dbraw/zinc/18/81/11/1074188111.db2.gz BCJTTZDTCSGVPQ-GVDBMIGSSA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC001258475047 1074188108 /nfs/dbraw/zinc/18/81/08/1074188108.db2.gz BCJTTZDTCSGVPQ-GVDBMIGSSA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC001258475047 1074188105 /nfs/dbraw/zinc/18/81/05/1074188105.db2.gz BCJTTZDTCSGVPQ-GVDBMIGSSA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001258475048 1074187928 /nfs/dbraw/zinc/18/79/28/1074187928.db2.gz BCJTTZDTCSGVPQ-ULQDDVLXSA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001258475048 1074187923 /nfs/dbraw/zinc/18/79/23/1074187923.db2.gz BCJTTZDTCSGVPQ-ULQDDVLXSA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC001258475048 1074187919 /nfs/dbraw/zinc/18/79/19/1074187919.db2.gz BCJTTZDTCSGVPQ-ULQDDVLXSA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC001258475048 1074187916 /nfs/dbraw/zinc/18/79/16/1074187916.db2.gz BCJTTZDTCSGVPQ-ULQDDVLXSA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001258475049 1074187884 /nfs/dbraw/zinc/18/78/84/1074187884.db2.gz BCJTTZDTCSGVPQ-YESZJQIVSA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC001258475049 1074187880 /nfs/dbraw/zinc/18/78/80/1074187880.db2.gz BCJTTZDTCSGVPQ-YESZJQIVSA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC001258475049 1074187873 /nfs/dbraw/zinc/18/78/73/1074187873.db2.gz BCJTTZDTCSGVPQ-YESZJQIVSA-N 2 2 397.520 -1.656 20 0 GAADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC001258475049 1074187866 /nfs/dbraw/zinc/18/78/66/1074187866.db2.gz BCJTTZDTCSGVPQ-YESZJQIVSA-N 2 2 397.520 -1.656 20 0 GAADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001261562990 1074232170 /nfs/dbraw/zinc/23/21/70/1074232170.db2.gz ZTIHQMLGMPSSHH-IXDOHACOSA-N 2 2 395.504 -2.214 20 0 GAADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001261562990 1074232166 /nfs/dbraw/zinc/23/21/66/1074232166.db2.gz ZTIHQMLGMPSSHH-IXDOHACOSA-N 2 2 395.504 -2.214 20 0 GAADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261562990 1074232164 /nfs/dbraw/zinc/23/21/64/1074232164.db2.gz ZTIHQMLGMPSSHH-IXDOHACOSA-N 2 2 395.504 -2.214 20 0 GAADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001261562990 1074232154 /nfs/dbraw/zinc/23/21/54/1074232154.db2.gz ZTIHQMLGMPSSHH-IXDOHACOSA-N 2 2 395.504 -2.214 20 0 GAADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001261562991 1074232319 /nfs/dbraw/zinc/23/23/19/1074232319.db2.gz ZTIHQMLGMPSSHH-YESZJQIVSA-N 2 2 395.504 -2.214 20 0 GAADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC001261562991 1074232314 /nfs/dbraw/zinc/23/23/14/1074232314.db2.gz ZTIHQMLGMPSSHH-YESZJQIVSA-N 2 2 395.504 -2.214 20 0 GAADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001261562991 1074232310 /nfs/dbraw/zinc/23/23/10/1074232310.db2.gz ZTIHQMLGMPSSHH-YESZJQIVSA-N 2 2 395.504 -2.214 20 0 GAADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001261562991 1074232305 /nfs/dbraw/zinc/23/23/05/1074232305.db2.gz ZTIHQMLGMPSSHH-YESZJQIVSA-N 2 2 395.504 -2.214 20 0 GAADLP CN(C(=O)C(=O)N1CCC(O)(CO)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001261610930 1074234741 /nfs/dbraw/zinc/23/47/41/1074234741.db2.gz DYFAOVDIHXEKJE-INIZCTEOSA-N 2 2 382.505 -1.041 20 0 GAADLP CN(C(=O)C(=O)N1CCC(O)(CO)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001261610930 1074234737 /nfs/dbraw/zinc/23/47/37/1074234737.db2.gz DYFAOVDIHXEKJE-INIZCTEOSA-N 2 2 382.505 -1.041 20 0 GAADLP CN(C(=O)C(=O)N1CCC(O)(CO)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001261610931 1074234715 /nfs/dbraw/zinc/23/47/15/1074234715.db2.gz DYFAOVDIHXEKJE-MRXNPFEDSA-N 2 2 382.505 -1.041 20 0 GAADLP CN(C(=O)C(=O)N1CCC(O)(CO)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001261610931 1074234710 /nfs/dbraw/zinc/23/47/10/1074234710.db2.gz DYFAOVDIHXEKJE-MRXNPFEDSA-N 2 2 382.505 -1.041 20 0 GAADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC001262542833 1074264826 /nfs/dbraw/zinc/26/48/26/1074264826.db2.gz JYOYBOFIRYSTNI-INIZCTEOSA-N 2 2 382.509 -2.470 20 0 GAADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC001262542833 1074264823 /nfs/dbraw/zinc/26/48/23/1074264823.db2.gz JYOYBOFIRYSTNI-INIZCTEOSA-N 2 2 382.509 -2.470 20 0 GAADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC001262542834 1074264738 /nfs/dbraw/zinc/26/47/38/1074264738.db2.gz JYOYBOFIRYSTNI-MRXNPFEDSA-N 2 2 382.509 -2.470 20 0 GAADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)C(=O)N1CCNCC[NH2+]CC1 ZINC001262542834 1074264733 /nfs/dbraw/zinc/26/47/33/1074264733.db2.gz JYOYBOFIRYSTNI-MRXNPFEDSA-N 2 2 382.509 -2.470 20 0 GAADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001263074257 1074266485 /nfs/dbraw/zinc/26/64/85/1074266485.db2.gz CDMNCLKJANSQSW-KBPBESRZSA-N 2 2 377.511 -2.161 20 0 GAADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001263074258 1074266419 /nfs/dbraw/zinc/26/64/19/1074266419.db2.gz CDMNCLKJANSQSW-KGLIPLIRSA-N 2 2 377.511 -2.161 20 0 GAADLP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001263074259 1074266434 /nfs/dbraw/zinc/26/64/34/1074266434.db2.gz CDMNCLKJANSQSW-UONOGXRCSA-N 2 2 377.511 -2.161 20 0 GAADLP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001263074260 1074266363 /nfs/dbraw/zinc/26/63/63/1074266363.db2.gz CDMNCLKJANSQSW-ZIAGYGMSSA-N 2 2 377.511 -2.161 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001263824133 1074267808 /nfs/dbraw/zinc/26/78/08/1074267808.db2.gz DFBVKEZFJAYQET-CVEARBPZSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001263824133 1074267805 /nfs/dbraw/zinc/26/78/05/1074267805.db2.gz DFBVKEZFJAYQET-CVEARBPZSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001263824133 1074267800 /nfs/dbraw/zinc/26/78/00/1074267800.db2.gz DFBVKEZFJAYQET-CVEARBPZSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001263824133 1074267797 /nfs/dbraw/zinc/26/77/97/1074267797.db2.gz DFBVKEZFJAYQET-CVEARBPZSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001263824139 1074267916 /nfs/dbraw/zinc/26/79/16/1074267916.db2.gz DFBVKEZFJAYQET-HOTGVXAUSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001263824139 1074267910 /nfs/dbraw/zinc/26/79/10/1074267910.db2.gz DFBVKEZFJAYQET-HOTGVXAUSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001263824139 1074267905 /nfs/dbraw/zinc/26/79/05/1074267905.db2.gz DFBVKEZFJAYQET-HOTGVXAUSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001263824139 1074267899 /nfs/dbraw/zinc/26/78/99/1074267899.db2.gz DFBVKEZFJAYQET-HOTGVXAUSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001263824140 1074267981 /nfs/dbraw/zinc/26/79/81/1074267981.db2.gz DFBVKEZFJAYQET-HZPDHXFCSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001263824140 1074267978 /nfs/dbraw/zinc/26/79/78/1074267978.db2.gz DFBVKEZFJAYQET-HZPDHXFCSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001263824140 1074267970 /nfs/dbraw/zinc/26/79/70/1074267970.db2.gz DFBVKEZFJAYQET-HZPDHXFCSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001263824140 1074267965 /nfs/dbraw/zinc/26/79/65/1074267965.db2.gz DFBVKEZFJAYQET-HZPDHXFCSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001263824141 1074267784 /nfs/dbraw/zinc/26/77/84/1074267784.db2.gz DFBVKEZFJAYQET-JKSUJKDBSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCCN(CCO)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001263824141 1074267775 /nfs/dbraw/zinc/26/77/75/1074267775.db2.gz DFBVKEZFJAYQET-JKSUJKDBSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001263824141 1074267769 /nfs/dbraw/zinc/26/77/69/1074267769.db2.gz DFBVKEZFJAYQET-JKSUJKDBSA-N 2 2 386.493 -1.635 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N(CCO)CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001263824141 1074267764 /nfs/dbraw/zinc/26/77/64/1074267764.db2.gz DFBVKEZFJAYQET-JKSUJKDBSA-N 2 2 386.493 -1.635 20 0 GAADLP C[NH+](C)CCN1C[C@@]2(F)CN(C[C@@H](O)C[NH+]3CCOCC3)C[C@@]2(F)C1=O ZINC001277697366 1074079649 /nfs/dbraw/zinc/07/96/49/1074079649.db2.gz JXDSVQPYERPQIF-BHYGNILZSA-N 2 2 376.448 -1.185 20 0 GAADLP C[NH+](C)CCN1C[C@@]2(F)CN(C[C@H](O)C[NH+]3CCOCC3)C[C@@]2(F)C1=O ZINC001277697367 1074079716 /nfs/dbraw/zinc/07/97/16/1074079716.db2.gz JXDSVQPYERPQIF-HYVNUMGLSA-N 2 2 376.448 -1.185 20 0 GAADLP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)C[C@H]21 ZINC001280246176 1074300005 /nfs/dbraw/zinc/30/00/05/1074300005.db2.gz RXLLBVWZNUNUPP-CVEARBPZSA-N 2 2 375.539 -1.185 20 0 GAADLP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@H]21 ZINC001280246176 1074300003 /nfs/dbraw/zinc/30/00/03/1074300003.db2.gz RXLLBVWZNUNUPP-CVEARBPZSA-N 2 2 375.539 -1.185 20 0 GAADLP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)C[C@@H]21 ZINC001280246177 1074299886 /nfs/dbraw/zinc/29/98/86/1074299886.db2.gz RXLLBVWZNUNUPP-HOTGVXAUSA-N 2 2 375.539 -1.185 20 0 GAADLP CN(C)S(=O)(=O)N1CCO[C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)C[C@@H]21 ZINC001280246177 1074299878 /nfs/dbraw/zinc/29/98/78/1074299878.db2.gz RXLLBVWZNUNUPP-HOTGVXAUSA-N 2 2 375.539 -1.185 20 0 GAADLP CN(C)S(=O)(=O)N1[C@H]2COC[C@@H]1C[N@@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280246376 1074299982 /nfs/dbraw/zinc/29/99/82/1074299982.db2.gz WZUITJOPVSCIJU-IYBDPMFKSA-N 2 2 375.539 -1.185 20 0 GAADLP CN(C)S(=O)(=O)N1[C@H]2COC[C@@H]1C[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001280246376 1074299980 /nfs/dbraw/zinc/29/99/80/1074299980.db2.gz WZUITJOPVSCIJU-IYBDPMFKSA-N 2 2 375.539 -1.185 20 0 GAADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1O ZINC001281719543 1074308069 /nfs/dbraw/zinc/30/80/69/1074308069.db2.gz IKKFGGIWCLJVAL-IXYNUQLISA-N 2 2 379.461 -1.210 20 0 GAADLP C[C@H](NC(=O)Cn1cnnn1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001292417315 1074337284 /nfs/dbraw/zinc/33/72/84/1074337284.db2.gz USQFZOBKJWAJGW-ZDUSSCGKSA-N 2 2 378.481 -1.147 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C2)CC1 ZINC001293210776 1074338777 /nfs/dbraw/zinc/33/87/77/1074338777.db2.gz JDBLBUCVAFLUFH-GFCCVEGCSA-N 2 2 392.460 -1.277 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C2)CC1 ZINC001293210776 1074338770 /nfs/dbraw/zinc/33/87/70/1074338770.db2.gz JDBLBUCVAFLUFH-GFCCVEGCSA-N 2 2 392.460 -1.277 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C2)CC1 ZINC001293210780 1074338843 /nfs/dbraw/zinc/33/88/43/1074338843.db2.gz JDBLBUCVAFLUFH-LBPRGKRZSA-N 2 2 392.460 -1.277 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)C2)CC1 ZINC001293210780 1074338832 /nfs/dbraw/zinc/33/88/32/1074338832.db2.gz JDBLBUCVAFLUFH-LBPRGKRZSA-N 2 2 392.460 -1.277 20 0 GAADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nnc(CS(C)(=O)=O)[nH]1 ZINC001313346898 1074382804 /nfs/dbraw/zinc/38/28/04/1074382804.db2.gz WPGBZNRJJYNHRU-UHFFFAOYSA-N 2 2 375.499 -1.016 20 0 GAADLP CN(C(=O)CN1C(=O)CNC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001318306584 1074396182 /nfs/dbraw/zinc/39/61/82/1074396182.db2.gz NTHXDHAEEQUSRF-UHFFFAOYSA-N 2 2 394.476 -1.765 20 0 GAADLP C[NH+]1CCN(CC(=O)NCC(C)(C)CNC(=O)CN2CC[NH+](C)CC2)CC1 ZINC001318454120 1074398531 /nfs/dbraw/zinc/39/85/31/1074398531.db2.gz NRIZXHQYFPCWHD-UHFFFAOYSA-N 2 2 382.553 -1.260 20 0 GAADLP C[NH+](C)C[C@@](C)(O)CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001319532666 1074428254 /nfs/dbraw/zinc/42/82/54/1074428254.db2.gz QVHAZTIDNRAEBC-KRWDZBQOSA-N 2 2 382.465 -1.417 20 0 GAADLP C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001319532667 1074428281 /nfs/dbraw/zinc/42/82/81/1074428281.db2.gz QVHAZTIDNRAEBC-QGZVFWFLSA-N 2 2 382.465 -1.417 20 0 GAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001319960149 1074439045 /nfs/dbraw/zinc/43/90/45/1074439045.db2.gz LOXSESPPFOTCAY-HNNXBMFYSA-N 2 2 394.476 -1.009 20 0 GAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001319960149 1074439042 /nfs/dbraw/zinc/43/90/42/1074439042.db2.gz LOXSESPPFOTCAY-HNNXBMFYSA-N 2 2 394.476 -1.009 20 0 GAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001319960151 1074438953 /nfs/dbraw/zinc/43/89/53/1074438953.db2.gz LOXSESPPFOTCAY-OAHLLOKOSA-N 2 2 394.476 -1.009 20 0 GAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001319960151 1074438948 /nfs/dbraw/zinc/43/89/48/1074438948.db2.gz LOXSESPPFOTCAY-OAHLLOKOSA-N 2 2 394.476 -1.009 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001320595351 1074455335 /nfs/dbraw/zinc/45/53/35/1074455335.db2.gz GYLYVAPSSBFHPD-AWEZNQCLSA-N 2 2 382.465 -1.465 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001320595355 1074455141 /nfs/dbraw/zinc/45/51/41/1074455141.db2.gz GYLYVAPSSBFHPD-CQSZACIVSA-N 2 2 382.465 -1.465 20 0 GAADLP C[C@@H](C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001320709104 1074460443 /nfs/dbraw/zinc/46/04/43/1074460443.db2.gz SADQQFPZYFYJQQ-FZDBZEDMSA-N 2 2 396.580 -1.017 20 0 GAADLP C[C@@H](C(=O)NC[C@H]1C[NH+](C)CCN1C)[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001320709104 1074460438 /nfs/dbraw/zinc/46/04/38/1074460438.db2.gz SADQQFPZYFYJQQ-FZDBZEDMSA-N 2 2 396.580 -1.017 20 0 GAADLP C[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[C@H](C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001320709104 1074460429 /nfs/dbraw/zinc/46/04/29/1074460429.db2.gz SADQQFPZYFYJQQ-FZDBZEDMSA-N 2 2 396.580 -1.017 20 0 GAADLP C[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H](C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001320709104 1074460421 /nfs/dbraw/zinc/46/04/21/1074460421.db2.gz SADQQFPZYFYJQQ-FZDBZEDMSA-N 2 2 396.580 -1.017 20 0 GAADLP C[C@H](C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001320709105 1074460490 /nfs/dbraw/zinc/46/04/90/1074460490.db2.gz SADQQFPZYFYJQQ-WNRNVDISSA-N 2 2 396.580 -1.017 20 0 GAADLP C[C@H](C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001320709105 1074460483 /nfs/dbraw/zinc/46/04/83/1074460483.db2.gz SADQQFPZYFYJQQ-WNRNVDISSA-N 2 2 396.580 -1.017 20 0 GAADLP C[C@H](C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H](C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001320709106 1074460582 /nfs/dbraw/zinc/46/05/82/1074460582.db2.gz SADQQFPZYFYJQQ-XLAORIBOSA-N 2 2 396.580 -1.017 20 0 GAADLP C[C@H](C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H](C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001320709106 1074460579 /nfs/dbraw/zinc/46/05/79/1074460579.db2.gz SADQQFPZYFYJQQ-XLAORIBOSA-N 2 2 396.580 -1.017 20 0 GAADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H](C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001320709106 1074460573 /nfs/dbraw/zinc/46/05/73/1074460573.db2.gz SADQQFPZYFYJQQ-XLAORIBOSA-N 2 2 396.580 -1.017 20 0 GAADLP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H](C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001320709106 1074460568 /nfs/dbraw/zinc/46/05/68/1074460568.db2.gz SADQQFPZYFYJQQ-XLAORIBOSA-N 2 2 396.580 -1.017 20 0 GAADLP C[C@@H](C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001320709107 1074460390 /nfs/dbraw/zinc/46/03/90/1074460390.db2.gz SADQQFPZYFYJQQ-XMTFNYHQSA-N 2 2 396.580 -1.017 20 0 GAADLP C[C@@H](C(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H](C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001320709107 1074460387 /nfs/dbraw/zinc/46/03/87/1074460387.db2.gz SADQQFPZYFYJQQ-XMTFNYHQSA-N 2 2 396.580 -1.017 20 0 GAADLP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H](C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001320709107 1074460383 /nfs/dbraw/zinc/46/03/83/1074460383.db2.gz SADQQFPZYFYJQQ-XMTFNYHQSA-N 2 2 396.580 -1.017 20 0 GAADLP C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H](C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001320709107 1074460374 /nfs/dbraw/zinc/46/03/74/1074460374.db2.gz SADQQFPZYFYJQQ-XMTFNYHQSA-N 2 2 396.580 -1.017 20 0 GAADLP O=C1C[C@]2(CC[NH+](CCS(=O)(=O)CC[N@@H+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1 ZINC001320962470 1074467415 /nfs/dbraw/zinc/46/74/15/1074467415.db2.gz OVCUDGRRBROLEI-QZTJIDSGSA-N 2 2 398.529 -1.175 20 0 GAADLP O=C1C[C@]2(CC[NH+](CCS(=O)(=O)CC[N@H+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1 ZINC001320962470 1074467413 /nfs/dbraw/zinc/46/74/13/1074467413.db2.gz OVCUDGRRBROLEI-QZTJIDSGSA-N 2 2 398.529 -1.175 20 0 GAADLP O=C1C[C@@]2(CC[NH+](CCS(=O)(=O)CC[N@@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC001320962472 1074467313 /nfs/dbraw/zinc/46/73/13/1074467313.db2.gz OVCUDGRRBROLEI-ROUUACIJSA-N 2 2 398.529 -1.175 20 0 GAADLP O=C1C[C@@]2(CC[NH+](CCS(=O)(=O)CC[N@H+]3CC[C@]4(CNC(=O)C4)C3)C2)CN1 ZINC001320962472 1074467309 /nfs/dbraw/zinc/46/73/09/1074467309.db2.gz OVCUDGRRBROLEI-ROUUACIJSA-N 2 2 398.529 -1.175 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC001321662676 1074490490 /nfs/dbraw/zinc/49/04/90/1074490490.db2.gz KYUWVVTWXFPHBY-DLBZAZTESA-N 2 2 399.536 -1.862 20 0 GAADLP C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC001321662680 1074490532 /nfs/dbraw/zinc/49/05/32/1074490532.db2.gz KYUWVVTWXFPHBY-IAGOWNOFSA-N 2 2 399.536 -1.862 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC001321662681 1074490417 /nfs/dbraw/zinc/49/04/17/1074490417.db2.gz KYUWVVTWXFPHBY-IRXDYDNUSA-N 2 2 399.536 -1.862 20 0 GAADLP C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC001321662682 1074490260 /nfs/dbraw/zinc/49/02/60/1074490260.db2.gz KYUWVVTWXFPHBY-SJORKVTESA-N 2 2 399.536 -1.862 20 0 GAADLP C[NH+]1CCN(CC(=O)NC[C@H](NC(=O)CN2CC[NH+](C)CC2)C2CC2)CC1 ZINC001321732028 1074495404 /nfs/dbraw/zinc/49/54/04/1074495404.db2.gz BBBPBZPNYJQSRC-KRWDZBQOSA-N 2 2 380.537 -1.508 20 0 GAADLP C[NH+]1CCN(CC(=O)NC[C@@H](NC(=O)CN2CC[NH+](C)CC2)C2CC2)CC1 ZINC001321732040 1074495487 /nfs/dbraw/zinc/49/54/87/1074495487.db2.gz BBBPBZPNYJQSRC-QGZVFWFLSA-N 2 2 380.537 -1.508 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001321753234 1074496990 /nfs/dbraw/zinc/49/69/90/1074496990.db2.gz VKLXIGYTWYYHPS-INIZCTEOSA-N 2 2 386.493 -1.634 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCCC[NH+]1CCOCC1 ZINC001321753268 1074496962 /nfs/dbraw/zinc/49/69/62/1074496962.db2.gz VKLXIGYTWYYHPS-MRXNPFEDSA-N 2 2 386.493 -1.634 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001321775480 1074498309 /nfs/dbraw/zinc/49/83/09/1074498309.db2.gz OHIMCWMOOIOFIU-AWEZNQCLSA-N 2 2 383.493 -1.603 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001321775482 1074498762 /nfs/dbraw/zinc/49/87/62/1074498762.db2.gz OHIMCWMOOIOFIU-CQSZACIVSA-N 2 2 383.493 -1.603 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCNS(C)(=O)=O)CC2)CC1 ZINC001321958652 1074507791 /nfs/dbraw/zinc/50/77/91/1074507791.db2.gz LDVIYUBEALBTMQ-UHFFFAOYSA-N 2 2 389.522 -1.673 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)CC2)CC1 ZINC001321963090 1074507772 /nfs/dbraw/zinc/50/77/72/1074507772.db2.gz FPNOMUSXGXNBFA-CVEARBPZSA-N 2 2 395.504 -1.190 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)CC2)CC1 ZINC001321963091 1074507708 /nfs/dbraw/zinc/50/77/08/1074507708.db2.gz FPNOMUSXGXNBFA-HOTGVXAUSA-N 2 2 395.504 -1.190 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)CC2)CC1 ZINC001321963092 1074508123 /nfs/dbraw/zinc/50/81/23/1074508123.db2.gz FPNOMUSXGXNBFA-HZPDHXFCSA-N 2 2 395.504 -1.190 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)CC2)CC1 ZINC001321963093 1074508173 /nfs/dbraw/zinc/50/81/73/1074508173.db2.gz FPNOMUSXGXNBFA-JKSUJKDBSA-N 2 2 395.504 -1.190 20 0 GAADLP COCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001321998103 1074511033 /nfs/dbraw/zinc/51/10/33/1074511033.db2.gz VBPLSFRSLQMKOR-INIZCTEOSA-N 2 2 386.493 -1.635 20 0 GAADLP COCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001321998104 1074511107 /nfs/dbraw/zinc/51/11/07/1074511107.db2.gz VBPLSFRSLQMKOR-MRXNPFEDSA-N 2 2 386.493 -1.635 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322133643 1074519328 /nfs/dbraw/zinc/51/93/28/1074519328.db2.gz PDSORRZGFKBNQT-INIZCTEOSA-N 2 2 396.536 -1.545 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001322133643 1074519323 /nfs/dbraw/zinc/51/93/23/1074519323.db2.gz PDSORRZGFKBNQT-INIZCTEOSA-N 2 2 396.536 -1.545 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322133644 1074519194 /nfs/dbraw/zinc/51/91/94/1074519194.db2.gz PDSORRZGFKBNQT-MRXNPFEDSA-N 2 2 396.536 -1.545 20 0 GAADLP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001322133644 1074519188 /nfs/dbraw/zinc/51/91/88/1074519188.db2.gz PDSORRZGFKBNQT-MRXNPFEDSA-N 2 2 396.536 -1.545 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCN1C(=O)CNC1=O ZINC001322577970 1074533847 /nfs/dbraw/zinc/53/38/47/1074533847.db2.gz DFDHWEICVDYBSH-UHFFFAOYSA-N 2 2 396.492 -1.471 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCCN1C(=O)CNC1=O ZINC001322577970 1074533841 /nfs/dbraw/zinc/53/38/41/1074533841.db2.gz DFDHWEICVDYBSH-UHFFFAOYSA-N 2 2 396.492 -1.471 20 0 GAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)C1(C(=O)NC[C@H]2C[NH+](C)CCN2C)CCC1 ZINC001322588294 1074535431 /nfs/dbraw/zinc/53/54/31/1074535431.db2.gz LEAMPTHYHQUPTN-CALCHBBNSA-N 2 2 394.564 -1.119 20 0 GAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C1(C(=O)NC[C@H]2C[NH+](C)CCN2C)CCC1 ZINC001322588294 1074535427 /nfs/dbraw/zinc/53/54/27/1074535427.db2.gz LEAMPTHYHQUPTN-CALCHBBNSA-N 2 2 394.564 -1.119 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C1(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CCC1 ZINC001322588294 1074535422 /nfs/dbraw/zinc/53/54/22/1074535422.db2.gz LEAMPTHYHQUPTN-CALCHBBNSA-N 2 2 394.564 -1.119 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C1(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCC1 ZINC001322588294 1074535418 /nfs/dbraw/zinc/53/54/18/1074535418.db2.gz LEAMPTHYHQUPTN-CALCHBBNSA-N 2 2 394.564 -1.119 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C1(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CCC1 ZINC001322588295 1074535384 /nfs/dbraw/zinc/53/53/84/1074535384.db2.gz LEAMPTHYHQUPTN-IAGOWNOFSA-N 2 2 394.564 -1.119 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)C1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CCC1 ZINC001322588295 1074535377 /nfs/dbraw/zinc/53/53/77/1074535377.db2.gz LEAMPTHYHQUPTN-IAGOWNOFSA-N 2 2 394.564 -1.119 20 0 GAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C1(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CCC1 ZINC001322588296 1074535442 /nfs/dbraw/zinc/53/54/42/1074535442.db2.gz LEAMPTHYHQUPTN-IRXDYDNUSA-N 2 2 394.564 -1.119 20 0 GAADLP CN1CC[NH+](C)C[C@@H]1CNC(=O)C1(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CCC1 ZINC001322588296 1074535440 /nfs/dbraw/zinc/53/54/40/1074535440.db2.gz LEAMPTHYHQUPTN-IRXDYDNUSA-N 2 2 394.564 -1.119 20 0 GAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC001322606014 1074537285 /nfs/dbraw/zinc/53/72/85/1074537285.db2.gz YSTONHKKGUGVJS-UHFFFAOYSA-N 2 2 393.492 -1.229 20 0 GAADLP CNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322667770 1074542942 /nfs/dbraw/zinc/54/29/42/1074542942.db2.gz YDTOLQJMFVSZER-GFCCVEGCSA-N 2 2 375.495 -2.064 20 0 GAADLP CNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322667770 1074542933 /nfs/dbraw/zinc/54/29/33/1074542933.db2.gz YDTOLQJMFVSZER-GFCCVEGCSA-N 2 2 375.495 -2.064 20 0 GAADLP CNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322667775 1074543117 /nfs/dbraw/zinc/54/31/17/1074543117.db2.gz YDTOLQJMFVSZER-LBPRGKRZSA-N 2 2 375.495 -2.064 20 0 GAADLP CNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322667775 1074543107 /nfs/dbraw/zinc/54/31/07/1074543107.db2.gz YDTOLQJMFVSZER-LBPRGKRZSA-N 2 2 375.495 -2.064 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCCN3C(=O)CCC3=O)C2)CC1 ZINC001322724223 1074546700 /nfs/dbraw/zinc/54/67/00/1074546700.db2.gz JMNDHCUWDOXUBF-AWEZNQCLSA-N 2 2 393.488 -1.074 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCCN3C(=O)CCC3=O)C2)CC1 ZINC001322724223 1074546691 /nfs/dbraw/zinc/54/66/91/1074546691.db2.gz JMNDHCUWDOXUBF-AWEZNQCLSA-N 2 2 393.488 -1.074 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCCN3C(=O)CCC3=O)C2)CC1 ZINC001322724225 1074547194 /nfs/dbraw/zinc/54/71/94/1074547194.db2.gz JMNDHCUWDOXUBF-CQSZACIVSA-N 2 2 393.488 -1.074 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCCN3C(=O)CCC3=O)C2)CC1 ZINC001322724225 1074547186 /nfs/dbraw/zinc/54/71/86/1074547186.db2.gz JMNDHCUWDOXUBF-CQSZACIVSA-N 2 2 393.488 -1.074 20 0 GAADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322734638 1074548166 /nfs/dbraw/zinc/54/81/66/1074548166.db2.gz UAHHWQWWJUIMDW-DLBZAZTESA-N 2 2 382.553 -1.262 20 0 GAADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001322734638 1074548160 /nfs/dbraw/zinc/54/81/60/1074548160.db2.gz UAHHWQWWJUIMDW-DLBZAZTESA-N 2 2 382.553 -1.262 20 0 GAADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322734638 1074548154 /nfs/dbraw/zinc/54/81/54/1074548154.db2.gz UAHHWQWWJUIMDW-DLBZAZTESA-N 2 2 382.553 -1.262 20 0 GAADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001322734638 1074548149 /nfs/dbraw/zinc/54/81/49/1074548149.db2.gz UAHHWQWWJUIMDW-DLBZAZTESA-N 2 2 382.553 -1.262 20 0 GAADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322734639 1074547980 /nfs/dbraw/zinc/54/79/80/1074547980.db2.gz UAHHWQWWJUIMDW-IAGOWNOFSA-N 2 2 382.553 -1.262 20 0 GAADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001322734639 1074547970 /nfs/dbraw/zinc/54/79/70/1074547970.db2.gz UAHHWQWWJUIMDW-IAGOWNOFSA-N 2 2 382.553 -1.262 20 0 GAADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322734639 1074547962 /nfs/dbraw/zinc/54/79/62/1074547962.db2.gz UAHHWQWWJUIMDW-IAGOWNOFSA-N 2 2 382.553 -1.262 20 0 GAADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001322734639 1074547953 /nfs/dbraw/zinc/54/79/53/1074547953.db2.gz UAHHWQWWJUIMDW-IAGOWNOFSA-N 2 2 382.553 -1.262 20 0 GAADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322734640 1074548088 /nfs/dbraw/zinc/54/80/88/1074548088.db2.gz UAHHWQWWJUIMDW-IRXDYDNUSA-N 2 2 382.553 -1.262 20 0 GAADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001322734640 1074548084 /nfs/dbraw/zinc/54/80/84/1074548084.db2.gz UAHHWQWWJUIMDW-IRXDYDNUSA-N 2 2 382.553 -1.262 20 0 GAADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322734640 1074548076 /nfs/dbraw/zinc/54/80/76/1074548076.db2.gz UAHHWQWWJUIMDW-IRXDYDNUSA-N 2 2 382.553 -1.262 20 0 GAADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001322734640 1074548070 /nfs/dbraw/zinc/54/80/70/1074548070.db2.gz UAHHWQWWJUIMDW-IRXDYDNUSA-N 2 2 382.553 -1.262 20 0 GAADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322734641 1074547939 /nfs/dbraw/zinc/54/79/39/1074547939.db2.gz UAHHWQWWJUIMDW-SJORKVTESA-N 2 2 382.553 -1.262 20 0 GAADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001322734641 1074547928 /nfs/dbraw/zinc/54/79/28/1074547928.db2.gz UAHHWQWWJUIMDW-SJORKVTESA-N 2 2 382.553 -1.262 20 0 GAADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001322734641 1074547916 /nfs/dbraw/zinc/54/79/16/1074547916.db2.gz UAHHWQWWJUIMDW-SJORKVTESA-N 2 2 382.553 -1.262 20 0 GAADLP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001322734641 1074547905 /nfs/dbraw/zinc/54/79/05/1074547905.db2.gz UAHHWQWWJUIMDW-SJORKVTESA-N 2 2 382.553 -1.262 20 0 GAADLP CN(CC(=O)N1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322779363 1074551858 /nfs/dbraw/zinc/55/18/58/1074551858.db2.gz IBOJFOLFQICNIH-HNNXBMFYSA-N 2 2 395.504 -1.412 20 0 GAADLP CN(CC(=O)N1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322779363 1074551850 /nfs/dbraw/zinc/55/18/50/1074551850.db2.gz IBOJFOLFQICNIH-HNNXBMFYSA-N 2 2 395.504 -1.412 20 0 GAADLP CN(CC(=O)N1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322779370 1074551801 /nfs/dbraw/zinc/55/18/01/1074551801.db2.gz IBOJFOLFQICNIH-OAHLLOKOSA-N 2 2 395.504 -1.412 20 0 GAADLP CN(CC(=O)N1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322779370 1074551791 /nfs/dbraw/zinc/55/17/91/1074551791.db2.gz IBOJFOLFQICNIH-OAHLLOKOSA-N 2 2 395.504 -1.412 20 0 GAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC001322854090 1074557590 /nfs/dbraw/zinc/55/75/90/1074557590.db2.gz IBHZWFDTFCMGTB-HNNXBMFYSA-N 2 2 383.493 -1.508 20 0 GAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC001322854090 1074557582 /nfs/dbraw/zinc/55/75/82/1074557582.db2.gz IBHZWFDTFCMGTB-HNNXBMFYSA-N 2 2 383.493 -1.508 20 0 GAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC001322854093 1074557518 /nfs/dbraw/zinc/55/75/18/1074557518.db2.gz IBHZWFDTFCMGTB-OAHLLOKOSA-N 2 2 383.493 -1.508 20 0 GAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC001322854093 1074557508 /nfs/dbraw/zinc/55/75/08/1074557508.db2.gz IBHZWFDTFCMGTB-OAHLLOKOSA-N 2 2 383.493 -1.508 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(OCC(N)=O)CC3)C2)CC1 ZINC001322994435 1074564280 /nfs/dbraw/zinc/56/42/80/1074564280.db2.gz RVCGVAXPQCZVQF-AWEZNQCLSA-N 2 2 395.504 -1.236 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(OCC(N)=O)CC3)C2)CC1 ZINC001322994435 1074564272 /nfs/dbraw/zinc/56/42/72/1074564272.db2.gz RVCGVAXPQCZVQF-AWEZNQCLSA-N 2 2 395.504 -1.236 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(OCC(N)=O)CC3)C2)CC1 ZINC001322994436 1074564205 /nfs/dbraw/zinc/56/42/05/1074564205.db2.gz RVCGVAXPQCZVQF-CQSZACIVSA-N 2 2 395.504 -1.236 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(OCC(N)=O)CC3)C2)CC1 ZINC001322994436 1074564200 /nfs/dbraw/zinc/56/42/00/1074564200.db2.gz RVCGVAXPQCZVQF-CQSZACIVSA-N 2 2 395.504 -1.236 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3nnnn3CC3CC3)C2)CC1 ZINC001323000308 1074564862 /nfs/dbraw/zinc/56/48/62/1074564862.db2.gz VFCFOTZIRHYCFS-AWEZNQCLSA-N 2 2 390.492 -1.016 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3nnnn3CC3CC3)C2)CC1 ZINC001323000308 1074564855 /nfs/dbraw/zinc/56/48/55/1074564855.db2.gz VFCFOTZIRHYCFS-AWEZNQCLSA-N 2 2 390.492 -1.016 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3nnnn3CC3CC3)C2)CC1 ZINC001323000337 1074564808 /nfs/dbraw/zinc/56/48/08/1074564808.db2.gz VFCFOTZIRHYCFS-CQSZACIVSA-N 2 2 390.492 -1.016 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3nnnn3CC3CC3)C2)CC1 ZINC001323000337 1074564801 /nfs/dbraw/zinc/56/48/01/1074564801.db2.gz VFCFOTZIRHYCFS-CQSZACIVSA-N 2 2 390.492 -1.016 20 0 GAADLP CN1CC[NH+](CCCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC001323111368 1074570339 /nfs/dbraw/zinc/57/03/39/1074570339.db2.gz GNEZMUFIOLCWGY-UHFFFAOYSA-N 2 2 396.536 -1.590 20 0 GAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC001323138558 1074571039 /nfs/dbraw/zinc/57/10/39/1074571039.db2.gz PVECRQFTDTTXTC-UHFFFAOYSA-N 2 2 397.520 -1.116 20 0 GAADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001323145567 1074571471 /nfs/dbraw/zinc/57/14/71/1074571471.db2.gz GVDCKLCXDYXLDR-KRWDZBQOSA-N 2 2 382.553 -1.118 20 0 GAADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001323145567 1074571465 /nfs/dbraw/zinc/57/14/65/1074571465.db2.gz GVDCKLCXDYXLDR-KRWDZBQOSA-N 2 2 382.553 -1.118 20 0 GAADLP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001323145567 1074571460 /nfs/dbraw/zinc/57/14/60/1074571460.db2.gz GVDCKLCXDYXLDR-KRWDZBQOSA-N 2 2 382.553 -1.118 20 0 GAADLP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC001323145567 1074571454 /nfs/dbraw/zinc/57/14/54/1074571454.db2.gz GVDCKLCXDYXLDR-KRWDZBQOSA-N 2 2 382.553 -1.118 20 0 GAADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001323145568 1074571608 /nfs/dbraw/zinc/57/16/08/1074571608.db2.gz GVDCKLCXDYXLDR-QGZVFWFLSA-N 2 2 382.553 -1.118 20 0 GAADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001323145568 1074571602 /nfs/dbraw/zinc/57/16/02/1074571602.db2.gz GVDCKLCXDYXLDR-QGZVFWFLSA-N 2 2 382.553 -1.118 20 0 GAADLP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001323145568 1074571595 /nfs/dbraw/zinc/57/15/95/1074571595.db2.gz GVDCKLCXDYXLDR-QGZVFWFLSA-N 2 2 382.553 -1.118 20 0 GAADLP CCN1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC001323145568 1074571589 /nfs/dbraw/zinc/57/15/89/1074571589.db2.gz GVDCKLCXDYXLDR-QGZVFWFLSA-N 2 2 382.553 -1.118 20 0 GAADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001323248719 1074576744 /nfs/dbraw/zinc/57/67/44/1074576744.db2.gz XCMRGRQACZZXEQ-DLBZAZTESA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001323248719 1074576738 /nfs/dbraw/zinc/57/67/38/1074576738.db2.gz XCMRGRQACZZXEQ-DLBZAZTESA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001323248719 1074576728 /nfs/dbraw/zinc/57/67/28/1074576728.db2.gz XCMRGRQACZZXEQ-DLBZAZTESA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001323248719 1074576722 /nfs/dbraw/zinc/57/67/22/1074576722.db2.gz XCMRGRQACZZXEQ-DLBZAZTESA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001323248727 1074576922 /nfs/dbraw/zinc/57/69/22/1074576922.db2.gz XCMRGRQACZZXEQ-IAGOWNOFSA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001323248727 1074576917 /nfs/dbraw/zinc/57/69/17/1074576917.db2.gz XCMRGRQACZZXEQ-IAGOWNOFSA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001323248727 1074576912 /nfs/dbraw/zinc/57/69/12/1074576912.db2.gz XCMRGRQACZZXEQ-IAGOWNOFSA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001323248727 1074576905 /nfs/dbraw/zinc/57/69/05/1074576905.db2.gz XCMRGRQACZZXEQ-IAGOWNOFSA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001323248731 1074576610 /nfs/dbraw/zinc/57/66/10/1074576610.db2.gz XCMRGRQACZZXEQ-IRXDYDNUSA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001323248731 1074576603 /nfs/dbraw/zinc/57/66/03/1074576603.db2.gz XCMRGRQACZZXEQ-IRXDYDNUSA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001323248731 1074576592 /nfs/dbraw/zinc/57/65/92/1074576592.db2.gz XCMRGRQACZZXEQ-IRXDYDNUSA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001323248731 1074576582 /nfs/dbraw/zinc/57/65/82/1074576582.db2.gz XCMRGRQACZZXEQ-IRXDYDNUSA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC001323248735 1074576822 /nfs/dbraw/zinc/57/68/22/1074576822.db2.gz XCMRGRQACZZXEQ-SJORKVTESA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC001323248735 1074576814 /nfs/dbraw/zinc/57/68/14/1074576814.db2.gz XCMRGRQACZZXEQ-SJORKVTESA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001323248735 1074576809 /nfs/dbraw/zinc/57/68/09/1074576809.db2.gz XCMRGRQACZZXEQ-SJORKVTESA-N 2 2 397.520 -1.654 20 0 GAADLP COCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC001323248735 1074576801 /nfs/dbraw/zinc/57/68/01/1074576801.db2.gz XCMRGRQACZZXEQ-SJORKVTESA-N 2 2 397.520 -1.654 20 0 GAADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001323288660 1074578994 /nfs/dbraw/zinc/57/89/94/1074578994.db2.gz DUMJVBVLKIOUNR-UHFFFAOYSA-N 2 2 383.493 -1.506 20 0 GAADLP CN(C(=O)C[C@@H]1NC(=O)NC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001323408322 1074587625 /nfs/dbraw/zinc/58/76/25/1074587625.db2.gz ICYAAXFDOQAPLP-AWEZNQCLSA-N 2 2 394.476 -1.719 20 0 GAADLP CN(C(=O)C(=O)NCCN1C(=O)CNC1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323479164 1074591353 /nfs/dbraw/zinc/59/13/53/1074591353.db2.gz ALKWHSMKKKRNPG-AWEZNQCLSA-N 2 2 394.476 -1.719 20 0 GAADLP CN(C(=O)C(=O)NCCN1C(=O)CNC1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323479164 1074591347 /nfs/dbraw/zinc/59/13/47/1074591347.db2.gz ALKWHSMKKKRNPG-AWEZNQCLSA-N 2 2 394.476 -1.719 20 0 GAADLP CN(C(=O)C(=O)NCCN1C(=O)CNC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323479165 1074591499 /nfs/dbraw/zinc/59/14/99/1074591499.db2.gz ALKWHSMKKKRNPG-CQSZACIVSA-N 2 2 394.476 -1.719 20 0 GAADLP CN(C(=O)C(=O)NCCN1C(=O)CNC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323479165 1074591494 /nfs/dbraw/zinc/59/14/94/1074591494.db2.gz ALKWHSMKKKRNPG-CQSZACIVSA-N 2 2 394.476 -1.719 20 0 GAADLP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001323509584 1074593247 /nfs/dbraw/zinc/59/32/47/1074593247.db2.gz SKMHCVINQXBLHF-INIZCTEOSA-N 2 2 399.561 -1.326 20 0 GAADLP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001323509584 1074593240 /nfs/dbraw/zinc/59/32/40/1074593240.db2.gz SKMHCVINQXBLHF-INIZCTEOSA-N 2 2 399.561 -1.326 20 0 GAADLP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001323509585 1074593158 /nfs/dbraw/zinc/59/31/58/1074593158.db2.gz SKMHCVINQXBLHF-MRXNPFEDSA-N 2 2 399.561 -1.326 20 0 GAADLP O=C(NCC[NH+]1CCSCC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001323509585 1074593148 /nfs/dbraw/zinc/59/31/48/1074593148.db2.gz SKMHCVINQXBLHF-MRXNPFEDSA-N 2 2 399.561 -1.326 20 0 GAADLP CN(C(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323641162 1074601483 /nfs/dbraw/zinc/60/14/83/1074601483.db2.gz OFRNRJRHEQUNOE-ARFHVFGLSA-N 2 2 395.504 -1.238 20 0 GAADLP CN(C(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323641162 1074601473 /nfs/dbraw/zinc/60/14/73/1074601473.db2.gz OFRNRJRHEQUNOE-ARFHVFGLSA-N 2 2 395.504 -1.238 20 0 GAADLP CN(C(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323641163 1074602154 /nfs/dbraw/zinc/60/21/54/1074602154.db2.gz OFRNRJRHEQUNOE-HRCADAONSA-N 2 2 395.504 -1.238 20 0 GAADLP CN(C(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323641163 1074602151 /nfs/dbraw/zinc/60/21/51/1074602151.db2.gz OFRNRJRHEQUNOE-HRCADAONSA-N 2 2 395.504 -1.238 20 0 GAADLP CN(C(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323641164 1074602119 /nfs/dbraw/zinc/60/21/19/1074602119.db2.gz OFRNRJRHEQUNOE-JYJNAYRXSA-N 2 2 395.504 -1.238 20 0 GAADLP CN(C(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323641164 1074602115 /nfs/dbraw/zinc/60/21/15/1074602115.db2.gz OFRNRJRHEQUNOE-JYJNAYRXSA-N 2 2 395.504 -1.238 20 0 GAADLP CN(C(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001323641165 1074602093 /nfs/dbraw/zinc/60/20/93/1074602093.db2.gz OFRNRJRHEQUNOE-XHSDSOJGSA-N 2 2 395.504 -1.238 20 0 GAADLP CN(C(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001323641165 1074602091 /nfs/dbraw/zinc/60/20/91/1074602091.db2.gz OFRNRJRHEQUNOE-XHSDSOJGSA-N 2 2 395.504 -1.238 20 0 GAADLP CCOC(CNC(=O)CN1CC[NH+](C)CC1)CNC(=O)CN1CC[NH+](C)CC1 ZINC001323679528 1074605328 /nfs/dbraw/zinc/60/53/28/1074605328.db2.gz BZKVFAYDIQPJLF-UHFFFAOYSA-N 2 2 398.552 -1.881 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)CC2)CC1 ZINC001323716400 1074607652 /nfs/dbraw/zinc/60/76/52/1074607652.db2.gz QWFLRANZNUJLLR-HNNXBMFYSA-N 2 2 381.477 -1.626 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)CC2)CC1 ZINC001323716401 1074608017 /nfs/dbraw/zinc/60/80/17/1074608017.db2.gz QWFLRANZNUJLLR-OAHLLOKOSA-N 2 2 381.477 -1.626 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCNC(=O)c3ccn[nH]3)C2)CC1 ZINC001323749365 1074610139 /nfs/dbraw/zinc/61/01/39/1074610139.db2.gz TWGNJHCCRQKPOQ-CYBMUJFWSA-N 2 2 391.476 -1.460 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCNC(=O)c3ccn[nH]3)C2)CC1 ZINC001323749365 1074610135 /nfs/dbraw/zinc/61/01/35/1074610135.db2.gz TWGNJHCCRQKPOQ-CYBMUJFWSA-N 2 2 391.476 -1.460 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCNC(=O)c3ccn[nH]3)C2)CC1 ZINC001323749395 1074610062 /nfs/dbraw/zinc/61/00/62/1074610062.db2.gz TWGNJHCCRQKPOQ-ZDUSSCGKSA-N 2 2 391.476 -1.460 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCNC(=O)c3ccn[nH]3)C2)CC1 ZINC001323749395 1074610059 /nfs/dbraw/zinc/61/00/59/1074610059.db2.gz TWGNJHCCRQKPOQ-ZDUSSCGKSA-N 2 2 391.476 -1.460 20 0 GAADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001323834509 1074617633 /nfs/dbraw/zinc/61/76/33/1074617633.db2.gz MIZCAYHXPAEIQB-DZGCQCFKSA-N 2 2 383.493 -1.510 20 0 GAADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC001323834509 1074617627 /nfs/dbraw/zinc/61/76/27/1074617627.db2.gz MIZCAYHXPAEIQB-DZGCQCFKSA-N 2 2 383.493 -1.510 20 0 GAADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001323834511 1074617520 /nfs/dbraw/zinc/61/75/20/1074617520.db2.gz MIZCAYHXPAEIQB-HIFRSBDPSA-N 2 2 383.493 -1.510 20 0 GAADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001323834511 1074617513 /nfs/dbraw/zinc/61/75/13/1074617513.db2.gz MIZCAYHXPAEIQB-HIFRSBDPSA-N 2 2 383.493 -1.510 20 0 GAADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC001323834515 1074617647 /nfs/dbraw/zinc/61/76/47/1074617647.db2.gz MIZCAYHXPAEIQB-UKRRQHHQSA-N 2 2 383.493 -1.510 20 0 GAADLP C[C@@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC001323834515 1074617646 /nfs/dbraw/zinc/61/76/46/1074617646.db2.gz MIZCAYHXPAEIQB-UKRRQHHQSA-N 2 2 383.493 -1.510 20 0 GAADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC001323834516 1074617563 /nfs/dbraw/zinc/61/75/63/1074617563.db2.gz MIZCAYHXPAEIQB-ZFWWWQNUSA-N 2 2 383.493 -1.510 20 0 GAADLP C[C@H](NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC001323834516 1074617559 /nfs/dbraw/zinc/61/75/59/1074617559.db2.gz MIZCAYHXPAEIQB-ZFWWWQNUSA-N 2 2 383.493 -1.510 20 0 GAADLP C[NH+]1CCN(C2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)CC1 ZINC001324331809 1074643389 /nfs/dbraw/zinc/64/33/89/1074643389.db2.gz KFGUPJLUMIVVQT-INIZCTEOSA-N 2 2 379.505 -1.375 20 0 GAADLP C[NH+]1CCN(C2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)CC1 ZINC001324331810 1074643459 /nfs/dbraw/zinc/64/34/59/1074643459.db2.gz KFGUPJLUMIVVQT-MRXNPFEDSA-N 2 2 379.505 -1.375 20 0 GAADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC001324336665 1074643445 /nfs/dbraw/zinc/64/34/45/1074643445.db2.gz TWATVBSBLOYAMQ-GFCCVEGCSA-N 2 2 377.511 -1.736 20 0 GAADLP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC001324336665 1074643441 /nfs/dbraw/zinc/64/34/41/1074643441.db2.gz TWATVBSBLOYAMQ-GFCCVEGCSA-N 2 2 377.511 -1.736 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC001324336668 1074643371 /nfs/dbraw/zinc/64/33/71/1074643371.db2.gz TWATVBSBLOYAMQ-LBPRGKRZSA-N 2 2 377.511 -1.736 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)S(N)(=O)=O ZINC001324336668 1074643367 /nfs/dbraw/zinc/64/33/67/1074643367.db2.gz TWATVBSBLOYAMQ-LBPRGKRZSA-N 2 2 377.511 -1.736 20 0 GAADLP CCNS(=O)(=O)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001324448329 1074652612 /nfs/dbraw/zinc/65/26/12/1074652612.db2.gz QLGXJEYVVBQZNE-UHFFFAOYSA-N 2 2 391.538 -1.474 20 0 GAADLP 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CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001324576434 1074659142 /nfs/dbraw/zinc/65/91/42/1074659142.db2.gz JSOPQCGKSRXXCM-SJORKVTESA-N 2 2 396.536 -2.129 20 0 GAADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC001324576434 1074659137 /nfs/dbraw/zinc/65/91/37/1074659137.db2.gz JSOPQCGKSRXXCM-SJORKVTESA-N 2 2 396.536 -2.129 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3nnnn3C3CC3)C2)CC1 ZINC001324596541 1074660177 /nfs/dbraw/zinc/66/01/77/1074660177.db2.gz LDLJTCQFSULAIH-GFCCVEGCSA-N 2 2 376.465 -1.091 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3nnnn3C3CC3)C2)CC1 ZINC001324596541 1074660172 /nfs/dbraw/zinc/66/01/72/1074660172.db2.gz LDLJTCQFSULAIH-GFCCVEGCSA-N 2 2 376.465 -1.091 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3nnnn3C3CC3)C2)CC1 ZINC001324596542 1074660250 /nfs/dbraw/zinc/66/02/50/1074660250.db2.gz LDLJTCQFSULAIH-LBPRGKRZSA-N 2 2 376.465 -1.091 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3nnnn3C3CC3)C2)CC1 ZINC001324596542 1074660246 /nfs/dbraw/zinc/66/02/46/1074660246.db2.gz LDLJTCQFSULAIH-LBPRGKRZSA-N 2 2 376.465 -1.091 20 0 GAADLP C[C@H](C(=O)N[C@H](CO)CNC(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001325376169 1074689507 /nfs/dbraw/zinc/68/95/07/1074689507.db2.gz NWFJVBHWYCLOJA-BBWFWOEESA-N 2 2 398.552 -2.149 20 0 GAADLP C[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001325376179 1074689545 /nfs/dbraw/zinc/68/95/45/1074689545.db2.gz NWFJVBHWYCLOJA-IKGGRYGDSA-N 2 2 398.552 -2.149 20 0 GAADLP C[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001325376180 1074689328 /nfs/dbraw/zinc/68/93/28/1074689328.db2.gz NWFJVBHWYCLOJA-ULQDDVLXSA-N 2 2 398.552 -2.149 20 0 GAADLP C[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H](C)N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001325376182 1074689306 /nfs/dbraw/zinc/68/93/06/1074689306.db2.gz NWFJVBHWYCLOJA-ZACQAIPSSA-N 2 2 398.552 -2.149 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001325468886 1074693683 /nfs/dbraw/zinc/69/36/83/1074693683.db2.gz MDMKSDATJWNGBN-DLBZAZTESA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001325468886 1074693680 /nfs/dbraw/zinc/69/36/80/1074693680.db2.gz MDMKSDATJWNGBN-DLBZAZTESA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001325468886 1074693676 /nfs/dbraw/zinc/69/36/76/1074693676.db2.gz MDMKSDATJWNGBN-DLBZAZTESA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001325468886 1074693670 /nfs/dbraw/zinc/69/36/70/1074693670.db2.gz MDMKSDATJWNGBN-DLBZAZTESA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001325468887 1074693656 /nfs/dbraw/zinc/69/36/56/1074693656.db2.gz MDMKSDATJWNGBN-IAGOWNOFSA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001325468887 1074693651 /nfs/dbraw/zinc/69/36/51/1074693651.db2.gz MDMKSDATJWNGBN-IAGOWNOFSA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001325468887 1074693646 /nfs/dbraw/zinc/69/36/46/1074693646.db2.gz MDMKSDATJWNGBN-IAGOWNOFSA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001325468887 1074693640 /nfs/dbraw/zinc/69/36/40/1074693640.db2.gz MDMKSDATJWNGBN-IAGOWNOFSA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001325468888 1074693723 /nfs/dbraw/zinc/69/37/23/1074693723.db2.gz MDMKSDATJWNGBN-IRXDYDNUSA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001325468888 1074693718 /nfs/dbraw/zinc/69/37/18/1074693718.db2.gz MDMKSDATJWNGBN-IRXDYDNUSA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001325468888 1074693715 /nfs/dbraw/zinc/69/37/15/1074693715.db2.gz MDMKSDATJWNGBN-IRXDYDNUSA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001325468888 1074693712 /nfs/dbraw/zinc/69/37/12/1074693712.db2.gz MDMKSDATJWNGBN-IRXDYDNUSA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001325468889 1074693541 /nfs/dbraw/zinc/69/35/41/1074693541.db2.gz MDMKSDATJWNGBN-SJORKVTESA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCN(C)CC1 ZINC001325468889 1074693534 /nfs/dbraw/zinc/69/35/34/1074693534.db2.gz MDMKSDATJWNGBN-SJORKVTESA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001325468889 1074693527 /nfs/dbraw/zinc/69/35/27/1074693527.db2.gz MDMKSDATJWNGBN-SJORKVTESA-N 2 2 382.553 -1.263 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)N1CC[NH+](C)CC1 ZINC001325468889 1074693504 /nfs/dbraw/zinc/69/35/04/1074693504.db2.gz MDMKSDATJWNGBN-SJORKVTESA-N 2 2 382.553 -1.263 20 0 GAADLP CN(C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325953766 1074712653 /nfs/dbraw/zinc/71/26/53/1074712653.db2.gz SQASMNDCHWQGQF-CABCVRRESA-N 2 2 393.488 -1.123 20 0 GAADLP CN(C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325953766 1074712644 /nfs/dbraw/zinc/71/26/44/1074712644.db2.gz SQASMNDCHWQGQF-CABCVRRESA-N 2 2 393.488 -1.123 20 0 GAADLP CN(C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325953767 1074712783 /nfs/dbraw/zinc/71/27/83/1074712783.db2.gz SQASMNDCHWQGQF-GJZGRUSLSA-N 2 2 393.488 -1.123 20 0 GAADLP CN(C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325953767 1074712776 /nfs/dbraw/zinc/71/27/76/1074712776.db2.gz SQASMNDCHWQGQF-GJZGRUSLSA-N 2 2 393.488 -1.123 20 0 GAADLP CN(C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325953768 1074712559 /nfs/dbraw/zinc/71/25/59/1074712559.db2.gz SQASMNDCHWQGQF-HUUCEWRRSA-N 2 2 393.488 -1.123 20 0 GAADLP CN(C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325953768 1074712547 /nfs/dbraw/zinc/71/25/47/1074712547.db2.gz SQASMNDCHWQGQF-HUUCEWRRSA-N 2 2 393.488 -1.123 20 0 GAADLP CN(C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001325953769 1074712483 /nfs/dbraw/zinc/71/24/83/1074712483.db2.gz SQASMNDCHWQGQF-LSDHHAIUSA-N 2 2 393.488 -1.123 20 0 GAADLP CN(C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001325953769 1074712472 /nfs/dbraw/zinc/71/24/72/1074712472.db2.gz SQASMNDCHWQGQF-LSDHHAIUSA-N 2 2 393.488 -1.123 20 0 GAADLP COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001326100295 1074718933 /nfs/dbraw/zinc/71/89/33/1074718933.db2.gz SISPGBJXWBPRCS-FMKPAKJESA-N 2 2 396.488 -1.347 20 0 GAADLP COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001326100295 1074718928 /nfs/dbraw/zinc/71/89/28/1074718928.db2.gz SISPGBJXWBPRCS-FMKPAKJESA-N 2 2 396.488 -1.347 20 0 GAADLP COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001326100298 1074718788 /nfs/dbraw/zinc/71/87/88/1074718788.db2.gz SISPGBJXWBPRCS-IIAWOOMASA-N 2 2 396.488 -1.347 20 0 GAADLP COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001326100298 1074718782 /nfs/dbraw/zinc/71/87/82/1074718782.db2.gz SISPGBJXWBPRCS-IIAWOOMASA-N 2 2 396.488 -1.347 20 0 GAADLP COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001326100301 1074718670 /nfs/dbraw/zinc/71/86/70/1074718670.db2.gz SISPGBJXWBPRCS-IJEWVQPXSA-N 2 2 396.488 -1.347 20 0 GAADLP COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001326100301 1074718661 /nfs/dbraw/zinc/71/86/61/1074718661.db2.gz SISPGBJXWBPRCS-IJEWVQPXSA-N 2 2 396.488 -1.347 20 0 GAADLP COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001326100303 1074718882 /nfs/dbraw/zinc/71/88/82/1074718882.db2.gz SISPGBJXWBPRCS-YCPHGPKFSA-N 2 2 396.488 -1.347 20 0 GAADLP COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001326100303 1074718877 /nfs/dbraw/zinc/71/88/77/1074718877.db2.gz SISPGBJXWBPRCS-YCPHGPKFSA-N 2 2 396.488 -1.347 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001326262735 1074727402 /nfs/dbraw/zinc/72/74/02/1074727402.db2.gz ZNYVLCWVKPAOFT-AWEZNQCLSA-N 2 2 381.477 -1.266 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001326262735 1074727393 /nfs/dbraw/zinc/72/73/93/1074727393.db2.gz ZNYVLCWVKPAOFT-AWEZNQCLSA-N 2 2 381.477 -1.266 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001326262736 1074727136 /nfs/dbraw/zinc/72/71/36/1074727136.db2.gz ZNYVLCWVKPAOFT-CQSZACIVSA-N 2 2 381.477 -1.266 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001326262736 1074727127 /nfs/dbraw/zinc/72/71/27/1074727127.db2.gz ZNYVLCWVKPAOFT-CQSZACIVSA-N 2 2 381.477 -1.266 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001326429528 1074731853 /nfs/dbraw/zinc/73/18/53/1074731853.db2.gz DOPZTHCFTQWTHY-HNNXBMFYSA-N 2 2 382.465 -1.465 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001326429630 1074731926 /nfs/dbraw/zinc/73/19/26/1074731926.db2.gz DOPZTHCFTQWTHY-OAHLLOKOSA-N 2 2 382.465 -1.465 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCNS(C)(=O)=O ZINC001326480697 1074734105 /nfs/dbraw/zinc/73/41/05/1074734105.db2.gz OMSDLDIKSFXFEC-UHFFFAOYSA-N 2 2 377.511 -1.864 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCNS(C)(=O)=O ZINC001326480697 1074734098 /nfs/dbraw/zinc/73/40/98/1074734098.db2.gz OMSDLDIKSFXFEC-UHFFFAOYSA-N 2 2 377.511 -1.864 20 0 GAADLP CCNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326510268 1074735953 /nfs/dbraw/zinc/73/59/53/1074735953.db2.gz CYKXGRCIESXXIP-CYBMUJFWSA-N 2 2 389.522 -1.673 20 0 GAADLP CCNS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326510268 1074735946 /nfs/dbraw/zinc/73/59/46/1074735946.db2.gz CYKXGRCIESXXIP-CYBMUJFWSA-N 2 2 389.522 -1.673 20 0 GAADLP CCNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326510269 1074736104 /nfs/dbraw/zinc/73/61/04/1074736104.db2.gz CYKXGRCIESXXIP-ZDUSSCGKSA-N 2 2 389.522 -1.673 20 0 GAADLP CCNS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326510269 1074736095 /nfs/dbraw/zinc/73/60/95/1074736095.db2.gz CYKXGRCIESXXIP-ZDUSSCGKSA-N 2 2 389.522 -1.673 20 0 GAADLP CN(C(=O)C(=O)NCC(=O)N1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326565148 1074740894 /nfs/dbraw/zinc/74/08/94/1074740894.db2.gz XWXCHOULUJYZKL-INIZCTEOSA-N 2 2 395.504 -1.412 20 0 GAADLP CN(C(=O)C(=O)NCC(=O)N1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326565148 1074740887 /nfs/dbraw/zinc/74/08/87/1074740887.db2.gz XWXCHOULUJYZKL-INIZCTEOSA-N 2 2 395.504 -1.412 20 0 GAADLP CN(C(=O)C(=O)NCC(=O)N1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326565150 1074740732 /nfs/dbraw/zinc/74/07/32/1074740732.db2.gz XWXCHOULUJYZKL-MRXNPFEDSA-N 2 2 395.504 -1.412 20 0 GAADLP CN(C(=O)C(=O)NCC(=O)N1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326565150 1074740726 /nfs/dbraw/zinc/74/07/26/1074740726.db2.gz XWXCHOULUJYZKL-MRXNPFEDSA-N 2 2 395.504 -1.412 20 0 GAADLP CNS(=O)(=O)CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001326573362 1074741770 /nfs/dbraw/zinc/74/17/70/1074741770.db2.gz NAVQXWXUEMQNLS-UHFFFAOYSA-N 2 2 377.511 -1.864 20 0 GAADLP CNS(=O)(=O)CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001326573362 1074741761 /nfs/dbraw/zinc/74/17/61/1074741761.db2.gz NAVQXWXUEMQNLS-UHFFFAOYSA-N 2 2 377.511 -1.864 20 0 GAADLP O=C(COCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001326573817 1074741652 /nfs/dbraw/zinc/74/16/52/1074741652.db2.gz MDJMJUKRVTWCBM-HZPDHXFCSA-N 2 2 382.461 -2.442 20 0 GAADLP O=C(COCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001326573817 1074741645 /nfs/dbraw/zinc/74/16/45/1074741645.db2.gz MDJMJUKRVTWCBM-HZPDHXFCSA-N 2 2 382.461 -2.442 20 0 GAADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001326583475 1074742375 /nfs/dbraw/zinc/74/23/75/1074742375.db2.gz AJOPISDTXDFIIB-HRCADAONSA-N 2 2 394.476 -2.175 20 0 GAADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC001326583481 1074742530 /nfs/dbraw/zinc/74/25/30/1074742530.db2.gz AJOPISDTXDFIIB-OWCLPIDISA-N 2 2 394.476 -2.175 20 0 GAADLP CCS(=O)(=O)NCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326609361 1074744203 /nfs/dbraw/zinc/74/42/03/1074744203.db2.gz CKDILFOZASUOJY-CYBMUJFWSA-N 2 2 389.522 -1.673 20 0 GAADLP CCS(=O)(=O)NCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326609361 1074744198 /nfs/dbraw/zinc/74/41/98/1074744198.db2.gz CKDILFOZASUOJY-CYBMUJFWSA-N 2 2 389.522 -1.673 20 0 GAADLP CCS(=O)(=O)NCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001326609362 1074744172 /nfs/dbraw/zinc/74/41/72/1074744172.db2.gz CKDILFOZASUOJY-ZDUSSCGKSA-N 2 2 389.522 -1.673 20 0 GAADLP CCS(=O)(=O)NCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001326609362 1074744165 /nfs/dbraw/zinc/74/41/65/1074744165.db2.gz CKDILFOZASUOJY-ZDUSSCGKSA-N 2 2 389.522 -1.673 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC(=O)N3CCOCC3)C2)CC1 ZINC001326610140 1074744233 /nfs/dbraw/zinc/74/42/33/1074744233.db2.gz OVUXTSWIHHECNX-AWEZNQCLSA-N 2 2 381.477 -1.754 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC(=O)N3CCOCC3)C2)CC1 ZINC001326610140 1074744228 /nfs/dbraw/zinc/74/42/28/1074744228.db2.gz OVUXTSWIHHECNX-AWEZNQCLSA-N 2 2 381.477 -1.754 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC(=O)N3CCOCC3)C2)CC1 ZINC001326610141 1074744300 /nfs/dbraw/zinc/74/43/00/1074744300.db2.gz OVUXTSWIHHECNX-CQSZACIVSA-N 2 2 381.477 -1.754 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC(=O)N3CCOCC3)C2)CC1 ZINC001326610141 1074744293 /nfs/dbraw/zinc/74/42/93/1074744293.db2.gz OVUXTSWIHHECNX-CQSZACIVSA-N 2 2 381.477 -1.754 20 0 GAADLP O=C(CSCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001326614358 1074744513 /nfs/dbraw/zinc/74/45/13/1074744513.db2.gz NMEHTSCMRXILFC-HZPDHXFCSA-N 2 2 398.529 -1.726 20 0 GAADLP O=C(CSCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC001326614358 1074744506 /nfs/dbraw/zinc/74/45/06/1074744506.db2.gz NMEHTSCMRXILFC-HZPDHXFCSA-N 2 2 398.529 -1.726 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)C2)CC1 ZINC001326624711 1074745173 /nfs/dbraw/zinc/74/51/73/1074745173.db2.gz UFWYEUYIXPSQME-AEGPPILISA-N 2 2 381.477 -1.580 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)C2)CC1 ZINC001326624711 1074745166 /nfs/dbraw/zinc/74/51/66/1074745166.db2.gz UFWYEUYIXPSQME-AEGPPILISA-N 2 2 381.477 -1.580 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC001326624712 1074745442 /nfs/dbraw/zinc/74/54/42/1074745442.db2.gz UFWYEUYIXPSQME-CFVMTHIKSA-N 2 2 381.477 -1.580 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC001326624712 1074745434 /nfs/dbraw/zinc/74/54/34/1074745434.db2.gz UFWYEUYIXPSQME-CFVMTHIKSA-N 2 2 381.477 -1.580 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)C2)CC1 ZINC001326624713 1074745308 /nfs/dbraw/zinc/74/53/08/1074745308.db2.gz UFWYEUYIXPSQME-NWANDNLSSA-N 2 2 381.477 -1.580 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)C2)CC1 ZINC001326624713 1074745299 /nfs/dbraw/zinc/74/52/99/1074745299.db2.gz UFWYEUYIXPSQME-NWANDNLSSA-N 2 2 381.477 -1.580 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC001326624714 1074745143 /nfs/dbraw/zinc/74/51/43/1074745143.db2.gz UFWYEUYIXPSQME-QEJZJMRPSA-N 2 2 381.477 -1.580 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)C2)CC1 ZINC001326624714 1074745139 /nfs/dbraw/zinc/74/51/39/1074745139.db2.gz UFWYEUYIXPSQME-QEJZJMRPSA-N 2 2 381.477 -1.580 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1C(=O)CNC1=O ZINC001326642414 1074746185 /nfs/dbraw/zinc/74/61/85/1074746185.db2.gz IKFQPFJNXIYDJV-UHFFFAOYSA-N 2 2 382.465 -1.861 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1C(=O)CNC1=O ZINC001326642414 1074746176 /nfs/dbraw/zinc/74/61/76/1074746176.db2.gz IKFQPFJNXIYDJV-UHFFFAOYSA-N 2 2 382.465 -1.861 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC001326678316 1074749050 /nfs/dbraw/zinc/74/90/50/1074749050.db2.gz DEDHFBWBJVGGPA-UHFFFAOYSA-N 2 2 380.449 -1.126 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC001326678316 1074749041 /nfs/dbraw/zinc/74/90/41/1074749041.db2.gz DEDHFBWBJVGGPA-UHFFFAOYSA-N 2 2 380.449 -1.126 20 0 GAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001326797597 1074754256 /nfs/dbraw/zinc/75/42/56/1074754256.db2.gz QQUFBTZSPAOHMA-AWEZNQCLSA-N 2 2 391.476 -1.135 20 0 GAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC001326797598 1074754216 /nfs/dbraw/zinc/75/42/16/1074754216.db2.gz QQUFBTZSPAOHMA-CQSZACIVSA-N 2 2 391.476 -1.135 20 0 GAADLP COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001327020908 1074763929 /nfs/dbraw/zinc/76/39/29/1074763929.db2.gz HSESNWAHCMDARD-GDBMZVCRSA-N 2 2 398.504 -1.147 20 0 GAADLP COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001327020908 1074763920 /nfs/dbraw/zinc/76/39/20/1074763920.db2.gz HSESNWAHCMDARD-GDBMZVCRSA-N 2 2 398.504 -1.147 20 0 GAADLP COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001327020909 1074764075 /nfs/dbraw/zinc/76/40/75/1074764075.db2.gz HSESNWAHCMDARD-GOEBONIOSA-N 2 2 398.504 -1.147 20 0 GAADLP COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001327020909 1074764070 /nfs/dbraw/zinc/76/40/70/1074764070.db2.gz HSESNWAHCMDARD-GOEBONIOSA-N 2 2 398.504 -1.147 20 0 GAADLP COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001327020910 1074763987 /nfs/dbraw/zinc/76/39/87/1074763987.db2.gz HSESNWAHCMDARD-HOCLYGCPSA-N 2 2 398.504 -1.147 20 0 GAADLP COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001327020910 1074763980 /nfs/dbraw/zinc/76/39/80/1074763980.db2.gz HSESNWAHCMDARD-HOCLYGCPSA-N 2 2 398.504 -1.147 20 0 GAADLP COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001327020911 1074763888 /nfs/dbraw/zinc/76/38/88/1074763888.db2.gz HSESNWAHCMDARD-ZBFHGGJFSA-N 2 2 398.504 -1.147 20 0 GAADLP COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001327020911 1074763876 /nfs/dbraw/zinc/76/38/76/1074763876.db2.gz HSESNWAHCMDARD-ZBFHGGJFSA-N 2 2 398.504 -1.147 20 0 GAADLP O=C(CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N1CC[NH2+]CC1 ZINC001327088703 1074768057 /nfs/dbraw/zinc/76/80/57/1074768057.db2.gz AGRSRHQJLKGMPD-UHFFFAOYSA-N 2 2 375.477 -1.133 20 0 GAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001327098079 1074768703 /nfs/dbraw/zinc/76/87/03/1074768703.db2.gz KKSBMHAEBXVWKR-JKSUJKDBSA-N 2 2 392.460 -1.569 20 0 GAADLP O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC001327098079 1074768692 /nfs/dbraw/zinc/76/86/92/1074768692.db2.gz KKSBMHAEBXVWKR-JKSUJKDBSA-N 2 2 392.460 -1.569 20 0 GAADLP C[NH2+][C@@H](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001327487969 1074787432 /nfs/dbraw/zinc/78/74/32/1074787432.db2.gz VKWLKNOIKMTEGC-AWEZNQCLSA-N 2 2 376.527 -1.196 20 0 GAADLP C[NH2+][C@H](C)CCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001327487970 1074787300 /nfs/dbraw/zinc/78/73/00/1074787300.db2.gz VKWLKNOIKMTEGC-CQSZACIVSA-N 2 2 376.527 -1.196 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327534021 1074790847 /nfs/dbraw/zinc/79/08/47/1074790847.db2.gz WSSADDQPOVXGDD-UHFFFAOYSA-N 3 2 393.492 -1.259 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327534021 1074790838 /nfs/dbraw/zinc/79/08/38/1074790838.db2.gz WSSADDQPOVXGDD-UHFFFAOYSA-N 3 2 393.492 -1.259 20 0 GAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnnn1C1CC[NH2+]CC1 ZINC001327595741 1074794188 /nfs/dbraw/zinc/79/41/88/1074794188.db2.gz CINJGLHDRVXBSO-AWEZNQCLSA-N 2 2 391.476 -1.135 20 0 GAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnnn1C1CC[NH2+]CC1 ZINC001327595742 1074794201 /nfs/dbraw/zinc/79/42/01/1074794201.db2.gz CINJGLHDRVXBSO-CQSZACIVSA-N 2 2 391.476 -1.135 20 0 GAADLP CNc1nc(N2CCC([NH2+]CCO)CC2)[nH+]c(N2CCC([NH2+]CCO)CC2)n1 ZINC001327602194 1074794336 /nfs/dbraw/zinc/79/43/36/1074794336.db2.gz YQKVPKGLWAXODA-UHFFFAOYSA-N 3 2 394.524 -1.563 20 0 GAADLP CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC001328006419 1074813599 /nfs/dbraw/zinc/81/35/99/1074813599.db2.gz RZAUYUXOMDRFSG-INIZCTEOSA-N 2 2 395.504 -1.365 20 0 GAADLP CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC001328006434 1074813636 /nfs/dbraw/zinc/81/36/36/1074813636.db2.gz RZAUYUXOMDRFSG-MRXNPFEDSA-N 2 2 395.504 -1.365 20 0 GAADLP CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)CC1 ZINC001328117255 1074819505 /nfs/dbraw/zinc/81/95/05/1074819505.db2.gz PQKFOVKMSUYTAZ-AWEZNQCLSA-N 2 2 395.551 -1.694 20 0 GAADLP CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)CC1 ZINC001328117257 1074819515 /nfs/dbraw/zinc/81/95/15/1074819515.db2.gz PQKFOVKMSUYTAZ-CQSZACIVSA-N 2 2 395.551 -1.694 20 0 GAADLP [NH3+]CCn1cc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nn1 ZINC001328399246 1074831656 /nfs/dbraw/zinc/83/16/56/1074831656.db2.gz YKYRBPMQYJMDQP-UHFFFAOYSA-N 2 2 387.448 -1.174 20 0 GAADLP [NH3+]CCn1cc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nn1 ZINC001328399246 1074831652 /nfs/dbraw/zinc/83/16/52/1074831652.db2.gz YKYRBPMQYJMDQP-UHFFFAOYSA-N 2 2 387.448 -1.174 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCN3C(=O)CNC3=O)C2)CC1 ZINC001328843148 1074850939 /nfs/dbraw/zinc/85/09/39/1074850939.db2.gz HZOWBJSSQIWRCC-GFCCVEGCSA-N 2 2 380.449 -2.061 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCN3C(=O)CNC3=O)C2)CC1 ZINC001328843148 1074850934 /nfs/dbraw/zinc/85/09/34/1074850934.db2.gz HZOWBJSSQIWRCC-GFCCVEGCSA-N 2 2 380.449 -2.061 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCN3C(=O)CNC3=O)C2)CC1 ZINC001328843150 1074850862 /nfs/dbraw/zinc/85/08/62/1074850862.db2.gz HZOWBJSSQIWRCC-LBPRGKRZSA-N 2 2 380.449 -2.061 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCN3C(=O)CNC3=O)C2)CC1 ZINC001328843150 1074850858 /nfs/dbraw/zinc/85/08/58/1074850858.db2.gz HZOWBJSSQIWRCC-LBPRGKRZSA-N 2 2 380.449 -2.061 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCCN3C(=O)CCC3=O)C2)CC1 ZINC001328855578 1074852006 /nfs/dbraw/zinc/85/20/06/1074852006.db2.gz PTVXBNPJTBCKAE-CYBMUJFWSA-N 2 2 379.461 -1.464 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCCN3C(=O)CCC3=O)C2)CC1 ZINC001328855578 1074852003 /nfs/dbraw/zinc/85/20/03/1074852003.db2.gz PTVXBNPJTBCKAE-CYBMUJFWSA-N 2 2 379.461 -1.464 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCCN3C(=O)CCC3=O)C2)CC1 ZINC001328855579 1074851950 /nfs/dbraw/zinc/85/19/50/1074851950.db2.gz PTVXBNPJTBCKAE-ZDUSSCGKSA-N 2 2 379.461 -1.464 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCCN3C(=O)CCC3=O)C2)CC1 ZINC001328855579 1074851947 /nfs/dbraw/zinc/85/19/47/1074851947.db2.gz PTVXBNPJTBCKAE-ZDUSSCGKSA-N 2 2 379.461 -1.464 20 0 GAADLP C[NH+](C)C[C@H](CO)NC(=O)c1cc(=O)cc(C(=O)N[C@H](CO)C[NH+](C)C)o1 ZINC001329313548 1074874948 /nfs/dbraw/zinc/87/49/48/1074874948.db2.gz XRECSPAOBAYJPD-TXEJJXNPSA-N 2 2 384.433 -2.056 20 0 GAADLP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001329538554 1074884714 /nfs/dbraw/zinc/88/47/14/1074884714.db2.gz UOEJPZAQINVQPJ-INIZCTEOSA-N 2 2 381.521 -1.250 20 0 GAADLP CN(CCOCCNC(=O)CN1CC[NH+](C)CC1)C(=O)CN1CC[NH+](C)CC1 ZINC001329595208 1074885885 /nfs/dbraw/zinc/88/58/85/1074885885.db2.gz SQOKIBALUCBZNY-UHFFFAOYSA-N 2 2 398.552 -1.928 20 0 GAADLP O=C(C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)NCC(=O)N1CCCC1 ZINC001329595705 1074885977 /nfs/dbraw/zinc/88/59/77/1074885977.db2.gz HNJQSCVTKBDMQB-CABCVRRESA-N 2 2 379.461 -1.018 20 0 GAADLP CC(C)[C@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCN(C)CC1 ZINC001329822850 1074896543 /nfs/dbraw/zinc/89/65/43/1074896543.db2.gz TWJAOYRYGPBRNR-AWEZNQCLSA-N 2 2 393.492 -1.355 20 0 GAADLP CC(C)[C@@H](CNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCN(C)CC1 ZINC001329822851 1074896438 /nfs/dbraw/zinc/89/64/38/1074896438.db2.gz TWJAOYRYGPBRNR-CQSZACIVSA-N 2 2 393.492 -1.355 20 0 GAADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001329993547 1074905673 /nfs/dbraw/zinc/90/56/73/1074905673.db2.gz VXESHWRPYUWLFN-DLBZAZTESA-N 2 2 381.521 -1.202 20 0 GAADLP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC001329993547 1074905667 /nfs/dbraw/zinc/90/56/67/1074905667.db2.gz VXESHWRPYUWLFN-DLBZAZTESA-N 2 2 381.521 -1.202 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(CO)(CO)CC3)C2)CC1 ZINC001330195462 1074910879 /nfs/dbraw/zinc/91/08/79/1074910879.db2.gz DIQHNVHJDCTBIC-HNNXBMFYSA-N 2 2 382.505 -1.136 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(CO)(CO)CC3)C2)CC1 ZINC001330195462 1074910874 /nfs/dbraw/zinc/91/08/74/1074910874.db2.gz DIQHNVHJDCTBIC-HNNXBMFYSA-N 2 2 382.505 -1.136 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(CO)(CO)CC3)C2)CC1 ZINC001330195463 1074910850 /nfs/dbraw/zinc/91/08/50/1074910850.db2.gz DIQHNVHJDCTBIC-OAHLLOKOSA-N 2 2 382.505 -1.136 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(CO)(CO)CC3)C2)CC1 ZINC001330195463 1074910845 /nfs/dbraw/zinc/91/08/45/1074910845.db2.gz DIQHNVHJDCTBIC-OAHLLOKOSA-N 2 2 382.505 -1.136 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001331090945 1074930456 /nfs/dbraw/zinc/93/04/56/1074930456.db2.gz GTDWOIYQUXYTDB-BRSBDYLESA-N 2 2 394.564 -1.263 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001331090945 1074930452 /nfs/dbraw/zinc/93/04/52/1074930452.db2.gz GTDWOIYQUXYTDB-BRSBDYLESA-N 2 2 394.564 -1.263 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001331090947 1074930507 /nfs/dbraw/zinc/93/05/07/1074930507.db2.gz GTDWOIYQUXYTDB-TVFCKZIOSA-N 2 2 394.564 -1.263 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@H]1CC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001331090947 1074930504 /nfs/dbraw/zinc/93/05/04/1074930504.db2.gz GTDWOIYQUXYTDB-TVFCKZIOSA-N 2 2 394.564 -1.263 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001331090947 1074930502 /nfs/dbraw/zinc/93/05/02/1074930502.db2.gz GTDWOIYQUXYTDB-TVFCKZIOSA-N 2 2 394.564 -1.263 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001331090947 1074930499 /nfs/dbraw/zinc/93/04/99/1074930499.db2.gz GTDWOIYQUXYTDB-TVFCKZIOSA-N 2 2 394.564 -1.263 20 0 GAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001331090950 1074930429 /nfs/dbraw/zinc/93/04/29/1074930429.db2.gz GTDWOIYQUXYTDB-USTZCAOPSA-N 2 2 394.564 -1.263 20 0 GAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001331090950 1074930426 /nfs/dbraw/zinc/93/04/26/1074930426.db2.gz GTDWOIYQUXYTDB-USTZCAOPSA-N 2 2 394.564 -1.263 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001331090950 1074930422 /nfs/dbraw/zinc/93/04/22/1074930422.db2.gz GTDWOIYQUXYTDB-USTZCAOPSA-N 2 2 394.564 -1.263 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001331090950 1074930419 /nfs/dbraw/zinc/93/04/19/1074930419.db2.gz GTDWOIYQUXYTDB-USTZCAOPSA-N 2 2 394.564 -1.263 20 0 GAADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001331090952 1074930494 /nfs/dbraw/zinc/93/04/94/1074930494.db2.gz GTDWOIYQUXYTDB-XMTFNYHQSA-N 2 2 394.564 -1.263 20 0 GAADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001331090952 1074930490 /nfs/dbraw/zinc/93/04/90/1074930490.db2.gz GTDWOIYQUXYTDB-XMTFNYHQSA-N 2 2 394.564 -1.263 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001331090952 1074930486 /nfs/dbraw/zinc/93/04/86/1074930486.db2.gz GTDWOIYQUXYTDB-XMTFNYHQSA-N 2 2 394.564 -1.263 20 0 GAADLP CN1CC[NH+](C)C[C@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001331090952 1074930483 /nfs/dbraw/zinc/93/04/83/1074930483.db2.gz GTDWOIYQUXYTDB-XMTFNYHQSA-N 2 2 394.564 -1.263 20 0 GAADLP CON(CCCNC(=O)CN1CC[NH+](C)CC1)C(=O)CN1CC[NH+](C)CC1 ZINC001331148384 1074931095 /nfs/dbraw/zinc/93/10/95/1074931095.db2.gz ZQVFVHPLMGHSFS-UHFFFAOYSA-N 2 2 384.525 -1.623 20 0 GAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331181245 1074988161 /nfs/dbraw/zinc/98/81/61/1074988161.db2.gz WHWQBOLISHPQFP-CVEARBPZSA-N 2 2 383.493 -1.996 20 0 GAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331181245 1074988155 /nfs/dbraw/zinc/98/81/55/1074988155.db2.gz WHWQBOLISHPQFP-CVEARBPZSA-N 2 2 383.493 -1.996 20 0 GAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331181267 1074988220 /nfs/dbraw/zinc/98/82/20/1074988220.db2.gz WHWQBOLISHPQFP-HOTGVXAUSA-N 2 2 383.493 -1.996 20 0 GAADLP O=C(NC[C@H]1COCC[NH2+]1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331181267 1074988217 /nfs/dbraw/zinc/98/82/17/1074988217.db2.gz WHWQBOLISHPQFP-HOTGVXAUSA-N 2 2 383.493 -1.996 20 0 GAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331181269 1074988243 /nfs/dbraw/zinc/98/82/43/1074988243.db2.gz WHWQBOLISHPQFP-HZPDHXFCSA-N 2 2 383.493 -1.996 20 0 GAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331181269 1074988240 /nfs/dbraw/zinc/98/82/40/1074988240.db2.gz WHWQBOLISHPQFP-HZPDHXFCSA-N 2 2 383.493 -1.996 20 0 GAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001331181270 1074988280 /nfs/dbraw/zinc/98/82/80/1074988280.db2.gz WHWQBOLISHPQFP-JKSUJKDBSA-N 2 2 383.493 -1.996 20 0 GAADLP O=C(NC[C@@H]1COCC[NH2+]1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001331181270 1074988276 /nfs/dbraw/zinc/98/82/76/1074988276.db2.gz WHWQBOLISHPQFP-JKSUJKDBSA-N 2 2 383.493 -1.996 20 0 GAADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001331582746 1074996507 /nfs/dbraw/zinc/99/65/07/1074996507.db2.gz HSBYEVPMDHRDRC-DLBZAZTESA-N 2 2 381.521 -1.035 20 0 GAADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001331582746 1074996504 /nfs/dbraw/zinc/99/65/04/1074996504.db2.gz HSBYEVPMDHRDRC-DLBZAZTESA-N 2 2 381.521 -1.035 20 0 GAADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001331582748 1074996593 /nfs/dbraw/zinc/99/65/93/1074996593.db2.gz HSBYEVPMDHRDRC-IAGOWNOFSA-N 2 2 381.521 -1.035 20 0 GAADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001331582748 1074996589 /nfs/dbraw/zinc/99/65/89/1074996589.db2.gz HSBYEVPMDHRDRC-IAGOWNOFSA-N 2 2 381.521 -1.035 20 0 GAADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001331582751 1074996546 /nfs/dbraw/zinc/99/65/46/1074996546.db2.gz HSBYEVPMDHRDRC-IRXDYDNUSA-N 2 2 381.521 -1.035 20 0 GAADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001331582751 1074996543 /nfs/dbraw/zinc/99/65/43/1074996543.db2.gz HSBYEVPMDHRDRC-IRXDYDNUSA-N 2 2 381.521 -1.035 20 0 GAADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001331582753 1074996513 /nfs/dbraw/zinc/99/65/13/1074996513.db2.gz HSBYEVPMDHRDRC-SJORKVTESA-N 2 2 381.521 -1.035 20 0 GAADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001331582753 1074996512 /nfs/dbraw/zinc/99/65/12/1074996512.db2.gz HSBYEVPMDHRDRC-SJORKVTESA-N 2 2 381.521 -1.035 20 0 GAADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001331663940 1075000682 /nfs/dbraw/zinc/00/06/82/1075000682.db2.gz PDNBGCAMFXHOQC-HNNXBMFYSA-N 2 2 380.449 -1.663 20 0 GAADLP O=C(NCC[N@H+]1CC[C@H](O)C1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001331663940 1075000680 /nfs/dbraw/zinc/00/06/80/1075000680.db2.gz PDNBGCAMFXHOQC-HNNXBMFYSA-N 2 2 380.449 -1.663 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCN3CCNC3=O)CC2)CC1 ZINC001331728172 1075001764 /nfs/dbraw/zinc/00/17/64/1075001764.db2.gz FNRFJYYWBPHWMJ-UHFFFAOYSA-N 2 2 380.493 -1.197 20 0 GAADLP [NH3+]C1(CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCOCC1 ZINC001331731064 1075001706 /nfs/dbraw/zinc/00/17/06/1075001706.db2.gz KYTJBMNEFPMOPU-UHFFFAOYSA-N 2 2 384.477 -1.392 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001332039826 1075008964 /nfs/dbraw/zinc/00/89/64/1075008964.db2.gz PBJUOGMITIXLHO-GASCZTMLSA-N 2 2 393.488 -1.456 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001332039826 1075008962 /nfs/dbraw/zinc/00/89/62/1075008962.db2.gz PBJUOGMITIXLHO-GASCZTMLSA-N 2 2 393.488 -1.456 20 0 GAADLP CN1C(=O)[C@H]2CN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C[C@H]2C1=O ZINC001332622014 1075019350 /nfs/dbraw/zinc/01/93/50/1075019350.db2.gz JREQNVOURYUKDA-AEGPPILISA-N 2 2 391.472 -1.656 20 0 GAADLP CN1C(=O)[C@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C[C@H]2C1=O ZINC001332622014 1075019348 /nfs/dbraw/zinc/01/93/48/1075019348.db2.gz JREQNVOURYUKDA-AEGPPILISA-N 2 2 391.472 -1.656 20 0 GAADLP CN1C(=O)[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C[C@H]2C1=O ZINC001332622794 1075019485 /nfs/dbraw/zinc/01/94/85/1075019485.db2.gz JREQNVOURYUKDA-YUELXQCFSA-N 2 2 391.472 -1.656 20 0 GAADLP CN1C(=O)[C@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C[C@H]2C1=O ZINC001332622794 1075019482 /nfs/dbraw/zinc/01/94/82/1075019482.db2.gz JREQNVOURYUKDA-YUELXQCFSA-N 2 2 391.472 -1.656 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC001333532089 1075034789 /nfs/dbraw/zinc/03/47/89/1075034789.db2.gz KEMKUXDEDCBXSJ-CHWSQXEVSA-N 2 2 378.470 -1.491 20 0 GAADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC001333638881 1075035830 /nfs/dbraw/zinc/03/58/30/1075035830.db2.gz HWRIZSGIMDVDSH-GFCCVEGCSA-N 2 2 378.433 -1.562 20 0 GAADLP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1 ZINC001333638883 1075035774 /nfs/dbraw/zinc/03/57/74/1075035774.db2.gz HWRIZSGIMDVDSH-LBPRGKRZSA-N 2 2 378.433 -1.562 20 0 GAADLP O[C@@H](Cn1cccn1)C[N@@H+]1CC[NH2+]CCN(C[C@H](O)Cn2cccn2)CC1 ZINC001335189539 1075054617 /nfs/dbraw/zinc/05/46/17/1075054617.db2.gz BPWWLLKJVKPKIA-HDICACEKSA-N 2 2 377.493 -1.291 20 0 GAADLP O[C@@H](Cn1cccn1)C[N@H+]1CC[NH2+]CCN(C[C@H](O)Cn2cccn2)CC1 ZINC001335189539 1075054613 /nfs/dbraw/zinc/05/46/13/1075054613.db2.gz BPWWLLKJVKPKIA-HDICACEKSA-N 2 2 377.493 -1.291 20 0 GAADLP O[C@@H](Cn1cccn1)CN1CC[NH2+]CC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001335189539 1075054607 /nfs/dbraw/zinc/05/46/07/1075054607.db2.gz BPWWLLKJVKPKIA-HDICACEKSA-N 2 2 377.493 -1.291 20 0 GAADLP O[C@@H](Cn1cccn1)CN1CC[NH2+]CC[N@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001335189539 1075054600 /nfs/dbraw/zinc/05/46/00/1075054600.db2.gz BPWWLLKJVKPKIA-HDICACEKSA-N 2 2 377.493 -1.291 20 0 GAADLP O[C@@H](Cn1cccn1)CN1CC[NH2+]CC[N@@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC001335189540 1075054502 /nfs/dbraw/zinc/05/45/02/1075054502.db2.gz BPWWLLKJVKPKIA-QZTJIDSGSA-N 2 2 377.493 -1.291 20 0 GAADLP O[C@@H](Cn1cccn1)CN1CC[NH2+]CC[N@H+](C[C@@H](O)Cn2cccn2)CC1 ZINC001335189540 1075054498 /nfs/dbraw/zinc/05/44/98/1075054498.db2.gz BPWWLLKJVKPKIA-QZTJIDSGSA-N 2 2 377.493 -1.291 20 0 GAADLP O[C@H](Cn1cccn1)CN1CC[NH2+]CC[N@@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001335189541 1075054556 /nfs/dbraw/zinc/05/45/56/1075054556.db2.gz BPWWLLKJVKPKIA-ROUUACIJSA-N 2 2 377.493 -1.291 20 0 GAADLP O[C@H](Cn1cccn1)CN1CC[NH2+]CC[N@H+](C[C@H](O)Cn2cccn2)CC1 ZINC001335189541 1075054549 /nfs/dbraw/zinc/05/45/49/1075054549.db2.gz BPWWLLKJVKPKIA-ROUUACIJSA-N 2 2 377.493 -1.291 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001335207996 1075054937 /nfs/dbraw/zinc/05/49/37/1075054937.db2.gz RZHLAGZUMMKOIR-CVEARBPZSA-N 2 2 383.493 -2.044 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001335207996 1075054935 /nfs/dbraw/zinc/05/49/35/1075054935.db2.gz RZHLAGZUMMKOIR-CVEARBPZSA-N 2 2 383.493 -2.044 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001335207998 1075055010 /nfs/dbraw/zinc/05/50/10/1075055010.db2.gz RZHLAGZUMMKOIR-HOTGVXAUSA-N 2 2 383.493 -2.044 20 0 GAADLP COC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001335207998 1075055008 /nfs/dbraw/zinc/05/50/08/1075055008.db2.gz RZHLAGZUMMKOIR-HOTGVXAUSA-N 2 2 383.493 -2.044 20 0 GAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001335208000 1075054966 /nfs/dbraw/zinc/05/49/66/1075054966.db2.gz RZHLAGZUMMKOIR-HZPDHXFCSA-N 2 2 383.493 -2.044 20 0 GAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001335208000 1075054963 /nfs/dbraw/zinc/05/49/63/1075054963.db2.gz RZHLAGZUMMKOIR-HZPDHXFCSA-N 2 2 383.493 -2.044 20 0 GAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001335208002 1075054883 /nfs/dbraw/zinc/05/48/83/1075054883.db2.gz RZHLAGZUMMKOIR-JKSUJKDBSA-N 2 2 383.493 -2.044 20 0 GAADLP COC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001335208002 1075054882 /nfs/dbraw/zinc/05/48/82/1075054882.db2.gz RZHLAGZUMMKOIR-JKSUJKDBSA-N 2 2 383.493 -2.044 20 0 GAADLP CN(C(=O)C(=O)NCCCc1nnnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335226618 1075054856 /nfs/dbraw/zinc/05/48/56/1075054856.db2.gz JDMPTDBBOLTFQM-HNNXBMFYSA-N 2 2 392.508 -1.114 20 0 GAADLP CN(C(=O)C(=O)NCCCc1nnnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335226618 1075054854 /nfs/dbraw/zinc/05/48/54/1075054854.db2.gz JDMPTDBBOLTFQM-HNNXBMFYSA-N 2 2 392.508 -1.114 20 0 GAADLP CN(C(=O)C(=O)NCCCc1nnnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001335226619 1075054929 /nfs/dbraw/zinc/05/49/29/1075054929.db2.gz JDMPTDBBOLTFQM-OAHLLOKOSA-N 2 2 392.508 -1.114 20 0 GAADLP CN(C(=O)C(=O)NCCCc1nnnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001335226619 1075054927 /nfs/dbraw/zinc/05/49/27/1075054927.db2.gz JDMPTDBBOLTFQM-OAHLLOKOSA-N 2 2 392.508 -1.114 20 0 GAADLP C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N3CCNCC[NH2+]CC3)CC2)CC1 ZINC001335267623 1075055620 /nfs/dbraw/zinc/05/56/20/1075055620.db2.gz PXKRQILXZMGJRD-UHFFFAOYSA-N 2 2 394.520 -1.980 20 0 GAADLP C[NH+](C)C1CN(S(=O)(=O)CCCCS(=O)(=O)N2CC([NH+](C)C)C2)C1 ZINC001335531235 1075058538 /nfs/dbraw/zinc/05/85/38/1075058538.db2.gz ZGSYWEVNDRSCNX-UHFFFAOYSA-N 2 2 382.552 -1.082 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)CC1 ZINC001336553865 1075066776 /nfs/dbraw/zinc/06/67/76/1075066776.db2.gz MEVSUBFILZQCOQ-KRWDZBQOSA-N 2 2 386.518 -1.034 20 0 GAADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC001336553867 1075066769 /nfs/dbraw/zinc/06/67/69/1075066769.db2.gz MEVSUBFILZQCOQ-QGZVFWFLSA-N 2 2 386.518 -1.034 20 0 GAADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001336925939 1075068259 /nfs/dbraw/zinc/06/82/59/1075068259.db2.gz GHIZJTPQRNEMNB-CABCVRRESA-N 2 2 388.538 -1.339 20 0 GAADLP C[NH+]1CCN(C(=O)CNc2cncc(NCC(=O)N3CC[NH+](C)CC3)n2)CC1 ZINC001337009574 1075068207 /nfs/dbraw/zinc/06/82/07/1075068207.db2.gz WVLMKXXDZAYRSH-UHFFFAOYSA-N 2 2 390.492 -1.152 20 0 GAADLP C[NH+]1CCN(C(=O)CNc2nccnc2NCC(=O)N2CC[NH+](C)CC2)CC1 ZINC001337755369 1075070895 /nfs/dbraw/zinc/07/08/95/1075070895.db2.gz ISUWEYDTCRRHSW-UHFFFAOYSA-N 2 2 390.492 -1.152 20 0 GAADLP CN(C(=O)CCn1cnnn1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001339372283 1075078934 /nfs/dbraw/zinc/07/89/34/1075078934.db2.gz GVKOCLBHUHCQTG-UHFFFAOYSA-N 2 2 378.481 -1.240 20 0 GAADLP O=C(C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1)N1CCCC1 ZINC001340154805 1075081879 /nfs/dbraw/zinc/08/18/79/1075081879.db2.gz LILBJNOBSXYWRL-HNNXBMFYSA-N 2 2 377.489 -1.037 20 0 GAADLP O=C(C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1)N1CCCC1 ZINC001340154805 1075081877 /nfs/dbraw/zinc/08/18/77/1075081877.db2.gz LILBJNOBSXYWRL-HNNXBMFYSA-N 2 2 377.489 -1.037 20 0 GAADLP O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1)N1CCCC1 ZINC001340154807 1075081929 /nfs/dbraw/zinc/08/19/29/1075081929.db2.gz LILBJNOBSXYWRL-OAHLLOKOSA-N 2 2 377.489 -1.037 20 0 GAADLP O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1)N1CCCC1 ZINC001340154807 1075081926 /nfs/dbraw/zinc/08/19/26/1075081926.db2.gz LILBJNOBSXYWRL-OAHLLOKOSA-N 2 2 377.489 -1.037 20 0 GAADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001340159287 1075082237 /nfs/dbraw/zinc/08/22/37/1075082237.db2.gz XYSZBBXEWTXHOH-KRWDZBQOSA-N 2 2 397.520 -1.652 20 0 GAADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001340159287 1075082234 /nfs/dbraw/zinc/08/22/34/1075082234.db2.gz XYSZBBXEWTXHOH-KRWDZBQOSA-N 2 2 397.520 -1.652 20 0 GAADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001340159288 1075082157 /nfs/dbraw/zinc/08/21/57/1075082157.db2.gz XYSZBBXEWTXHOH-QGZVFWFLSA-N 2 2 397.520 -1.652 20 0 GAADLP O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001340159288 1075082152 /nfs/dbraw/zinc/08/21/52/1075082152.db2.gz XYSZBBXEWTXHOH-QGZVFWFLSA-N 2 2 397.520 -1.652 20 0 GAADLP C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001340200453 1075082478 /nfs/dbraw/zinc/08/24/78/1075082478.db2.gz RODPNLKCDZUVLH-DOTOQJQBSA-N 3 2 383.537 -1.100 20 0 GAADLP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001340200461 1075082491 /nfs/dbraw/zinc/08/24/91/1075082491.db2.gz RODPNLKCDZUVLH-NVXWUHKLSA-N 3 2 383.537 -1.100 20 0 GAADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001340200463 1075082423 /nfs/dbraw/zinc/08/24/23/1075082423.db2.gz RODPNLKCDZUVLH-RDJZCZTQSA-N 3 2 383.537 -1.100 20 0 GAADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001340200465 1075082453 /nfs/dbraw/zinc/08/24/53/1075082453.db2.gz RODPNLKCDZUVLH-WBVHZDCISA-N 3 2 383.537 -1.100 20 0 GAADLP CN(C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001340340839 1075083567 /nfs/dbraw/zinc/08/35/67/1075083567.db2.gz QVNPRBMBBRARFJ-APWZRJJASA-N 3 2 381.521 -1.204 20 0 GAADLP CN(C(=O)[C@]1(C)C[C@H](O)C[NH2+]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001340340840 1075083517 /nfs/dbraw/zinc/08/35/17/1075083517.db2.gz QVNPRBMBBRARFJ-LPHOPBHVSA-N 3 2 381.521 -1.204 20 0 GAADLP CN(C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001340340841 1075083581 /nfs/dbraw/zinc/08/35/81/1075083581.db2.gz QVNPRBMBBRARFJ-QFBILLFUSA-N 3 2 381.521 -1.204 20 0 GAADLP CN(C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001340340843 1075083526 /nfs/dbraw/zinc/08/35/26/1075083526.db2.gz QVNPRBMBBRARFJ-VQIMIIECSA-N 3 2 381.521 -1.204 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001340518988 1075085383 /nfs/dbraw/zinc/08/53/83/1075085383.db2.gz PSEWMIKRPJGDOH-HNNXBMFYSA-N 2 2 395.504 -1.506 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001340518989 1075085295 /nfs/dbraw/zinc/08/52/95/1075085295.db2.gz PSEWMIKRPJGDOH-OAHLLOKOSA-N 2 2 395.504 -1.506 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCC(=O)N3CCOCC3)CC2)CC1 ZINC001341145047 1075090190 /nfs/dbraw/zinc/09/01/90/1075090190.db2.gz KRAINBUIEQDWCF-UHFFFAOYSA-N 2 2 395.504 -1.364 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)CC2)CC1 ZINC001341148182 1075090234 /nfs/dbraw/zinc/09/02/34/1075090234.db2.gz SZRDFZXOIJADAS-AWEZNQCLSA-N 2 2 380.493 -1.070 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)CC2)CC1 ZINC001341148184 1075090169 /nfs/dbraw/zinc/09/01/69/1075090169.db2.gz SZRDFZXOIJADAS-CQSZACIVSA-N 2 2 380.493 -1.070 20 0 GAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001341614300 1075094738 /nfs/dbraw/zinc/09/47/38/1075094738.db2.gz NTTPHHDAGQZNOI-AWEZNQCLSA-N 2 2 379.461 -1.066 20 0 GAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001341614301 1075094772 /nfs/dbraw/zinc/09/47/72/1075094772.db2.gz NTTPHHDAGQZNOI-CQSZACIVSA-N 2 2 379.461 -1.066 20 0 GAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341714210 1075095454 /nfs/dbraw/zinc/09/54/54/1075095454.db2.gz MRFXBOXOUPPQGF-KBPBESRZSA-N 2 2 379.461 -2.144 20 0 GAADLP O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341714211 1075095479 /nfs/dbraw/zinc/09/54/79/1075095479.db2.gz MRFXBOXOUPPQGF-KGLIPLIRSA-N 2 2 379.461 -2.144 20 0 GAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341714212 1075095519 /nfs/dbraw/zinc/09/55/19/1075095519.db2.gz MRFXBOXOUPPQGF-UONOGXRCSA-N 2 2 379.461 -2.144 20 0 GAADLP O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC001341714213 1075095562 /nfs/dbraw/zinc/09/55/62/1075095562.db2.gz MRFXBOXOUPPQGF-ZIAGYGMSSA-N 2 2 379.461 -2.144 20 0 GAADLP CN(C(=O)C(=O)NCCNS(C)(=O)=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001341882962 1075097254 /nfs/dbraw/zinc/09/72/54/1075097254.db2.gz PTIMETIFCYBBSF-AWEZNQCLSA-N 2 2 389.522 -1.721 20 0 GAADLP CN(C(=O)C(=O)NCCNS(C)(=O)=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001341882962 1075097250 /nfs/dbraw/zinc/09/72/50/1075097250.db2.gz PTIMETIFCYBBSF-AWEZNQCLSA-N 2 2 389.522 -1.721 20 0 GAADLP CN(C(=O)C(=O)NCCNS(C)(=O)=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001341882963 1075097323 /nfs/dbraw/zinc/09/73/23/1075097323.db2.gz PTIMETIFCYBBSF-CQSZACIVSA-N 2 2 389.522 -1.721 20 0 GAADLP CN(C(=O)C(=O)NCCNS(C)(=O)=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001341882963 1075097319 /nfs/dbraw/zinc/09/73/19/1075097319.db2.gz PTIMETIFCYBBSF-CQSZACIVSA-N 2 2 389.522 -1.721 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001342037692 1075099004 /nfs/dbraw/zinc/09/90/04/1075099004.db2.gz MRHGKTDYABRMRM-UHFFFAOYSA-N 2 2 383.493 -1.554 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCC(=O)N1CCOCC1 ZINC001342037692 1075099003 /nfs/dbraw/zinc/09/90/03/1075099003.db2.gz MRHGKTDYABRMRM-UHFFFAOYSA-N 2 2 383.493 -1.554 20 0 GAADLP CNS(=O)(=O)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001342051839 1075099051 /nfs/dbraw/zinc/09/90/51/1075099051.db2.gz BCBBCBZQRNFSHI-AWEZNQCLSA-N 2 2 389.522 -1.721 20 0 GAADLP CNS(=O)(=O)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001342051839 1075099048 /nfs/dbraw/zinc/09/90/48/1075099048.db2.gz BCBBCBZQRNFSHI-AWEZNQCLSA-N 2 2 389.522 -1.721 20 0 GAADLP CNS(=O)(=O)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001342051840 1075099023 /nfs/dbraw/zinc/09/90/23/1075099023.db2.gz BCBBCBZQRNFSHI-CQSZACIVSA-N 2 2 389.522 -1.721 20 0 GAADLP CNS(=O)(=O)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001342051840 1075099022 /nfs/dbraw/zinc/09/90/22/1075099022.db2.gz BCBBCBZQRNFSHI-CQSZACIVSA-N 2 2 389.522 -1.721 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)C2)CC1 ZINC001342135945 1075100408 /nfs/dbraw/zinc/10/04/08/1075100408.db2.gz SLEGGEFTPGCJOU-GXTWGEPZSA-N 2 2 387.506 -1.840 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)C2)CC1 ZINC001342135945 1075100405 /nfs/dbraw/zinc/10/04/05/1075100405.db2.gz SLEGGEFTPGCJOU-GXTWGEPZSA-N 2 2 387.506 -1.840 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)C2)CC1 ZINC001342135947 1075100321 /nfs/dbraw/zinc/10/03/21/1075100321.db2.gz SLEGGEFTPGCJOU-JSGCOSHPSA-N 2 2 387.506 -1.840 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)C2)CC1 ZINC001342135947 1075100316 /nfs/dbraw/zinc/10/03/16/1075100316.db2.gz SLEGGEFTPGCJOU-JSGCOSHPSA-N 2 2 387.506 -1.840 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)C2)CC1 ZINC001342135949 1075100426 /nfs/dbraw/zinc/10/04/26/1075100426.db2.gz SLEGGEFTPGCJOU-OCCSQVGLSA-N 2 2 387.506 -1.840 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)C2)CC1 ZINC001342135949 1075100424 /nfs/dbraw/zinc/10/04/24/1075100424.db2.gz SLEGGEFTPGCJOU-OCCSQVGLSA-N 2 2 387.506 -1.840 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)C2)CC1 ZINC001342135952 1075100448 /nfs/dbraw/zinc/10/04/48/1075100448.db2.gz SLEGGEFTPGCJOU-TZMCWYRMSA-N 2 2 387.506 -1.840 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)C2)CC1 ZINC001342135952 1075100445 /nfs/dbraw/zinc/10/04/45/1075100445.db2.gz SLEGGEFTPGCJOU-TZMCWYRMSA-N 2 2 387.506 -1.840 20 0 GAADLP COC(=O)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342136377 1075100385 /nfs/dbraw/zinc/10/03/85/1075100385.db2.gz VFIZAWYCNZTKDB-DZGCQCFKSA-N 2 2 382.461 -1.329 20 0 GAADLP COC(=O)[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342136377 1075100384 /nfs/dbraw/zinc/10/03/84/1075100384.db2.gz VFIZAWYCNZTKDB-DZGCQCFKSA-N 2 2 382.461 -1.329 20 0 GAADLP COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342136411 1075100701 /nfs/dbraw/zinc/10/07/01/1075100701.db2.gz VFIZAWYCNZTKDB-HIFRSBDPSA-N 2 2 382.461 -1.329 20 0 GAADLP COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342136411 1075100698 /nfs/dbraw/zinc/10/06/98/1075100698.db2.gz VFIZAWYCNZTKDB-HIFRSBDPSA-N 2 2 382.461 -1.329 20 0 GAADLP COC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342136415 1075100731 /nfs/dbraw/zinc/10/07/31/1075100731.db2.gz VFIZAWYCNZTKDB-UKRRQHHQSA-N 2 2 382.461 -1.329 20 0 GAADLP COC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342136415 1075100729 /nfs/dbraw/zinc/10/07/29/1075100729.db2.gz VFIZAWYCNZTKDB-UKRRQHHQSA-N 2 2 382.461 -1.329 20 0 GAADLP COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342136419 1075100750 /nfs/dbraw/zinc/10/07/50/1075100750.db2.gz VFIZAWYCNZTKDB-ZFWWWQNUSA-N 2 2 382.461 -1.329 20 0 GAADLP COC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCO1 ZINC001342136419 1075100747 /nfs/dbraw/zinc/10/07/47/1075100747.db2.gz VFIZAWYCNZTKDB-ZFWWWQNUSA-N 2 2 382.461 -1.329 20 0 GAADLP CN(C(=O)C(=O)NCCN1C(=O)CCC1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001342151480 1075100712 /nfs/dbraw/zinc/10/07/12/1075100712.db2.gz IOJJEKKVQQAMQF-HNNXBMFYSA-N 2 2 393.488 -1.122 20 0 GAADLP CN(C(=O)C(=O)NCCN1C(=O)CCC1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001342151480 1075100710 /nfs/dbraw/zinc/10/07/10/1075100710.db2.gz IOJJEKKVQQAMQF-HNNXBMFYSA-N 2 2 393.488 -1.122 20 0 GAADLP CN(C(=O)C(=O)NCCN1C(=O)CCC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001342151481 1075100678 /nfs/dbraw/zinc/10/06/78/1075100678.db2.gz IOJJEKKVQQAMQF-OAHLLOKOSA-N 2 2 393.488 -1.122 20 0 GAADLP CN(C(=O)C(=O)NCCN1C(=O)CCC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001342151481 1075100677 /nfs/dbraw/zinc/10/06/77/1075100677.db2.gz IOJJEKKVQQAMQF-OAHLLOKOSA-N 2 2 393.488 -1.122 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(=O)NCCN3C(=O)CCC3=O)CC2)CC1 ZINC001342151671 1075101073 /nfs/dbraw/zinc/10/10/73/1075101073.db2.gz ORYAPJBNSJENFF-UHFFFAOYSA-N 2 2 393.488 -1.074 20 0 GAADLP O=S1(=O)C[C@H]2C[NH+](CCOCC[N@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)C[C@H]2C1 ZINC001342250151 1075102216 /nfs/dbraw/zinc/10/22/16/1075102216.db2.gz HCHSQCPZIDOUBE-GEEKYZPCSA-N 2 2 392.543 -1.044 20 0 GAADLP O=S1(=O)C[C@H]2C[NH+](CCOCC[N@@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)C[C@H]2C1 ZINC001342250151 1075102215 /nfs/dbraw/zinc/10/22/15/1075102215.db2.gz HCHSQCPZIDOUBE-GEEKYZPCSA-N 2 2 392.543 -1.044 20 0 GAADLP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cn1 ZINC001342373854 1075102783 /nfs/dbraw/zinc/10/27/83/1075102783.db2.gz FNKFFXXJIHBDSO-UHFFFAOYSA-N 2 2 395.464 -2.364 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCCN(CC[NH2+]C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001343119014 1075108051 /nfs/dbraw/zinc/10/80/51/1075108051.db2.gz ILWFSUAOMVDLBQ-DLBZAZTESA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCCN(CC[NH2+]C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001343119014 1075108048 /nfs/dbraw/zinc/10/80/48/1075108048.db2.gz ILWFSUAOMVDLBQ-DLBZAZTESA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119014 1075108045 /nfs/dbraw/zinc/10/80/45/1075108045.db2.gz ILWFSUAOMVDLBQ-DLBZAZTESA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119014 1075108042 /nfs/dbraw/zinc/10/80/42/1075108042.db2.gz ILWFSUAOMVDLBQ-DLBZAZTESA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCCN(CC[NH2+]C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001343119017 1075108006 /nfs/dbraw/zinc/10/80/06/1075108006.db2.gz ILWFSUAOMVDLBQ-IAGOWNOFSA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCCN(CC[NH2+]C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001343119017 1075108004 /nfs/dbraw/zinc/10/80/04/1075108004.db2.gz ILWFSUAOMVDLBQ-IAGOWNOFSA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119017 1075108001 /nfs/dbraw/zinc/10/80/01/1075108001.db2.gz ILWFSUAOMVDLBQ-IAGOWNOFSA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)N(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119017 1075107999 /nfs/dbraw/zinc/10/79/99/1075107999.db2.gz ILWFSUAOMVDLBQ-IAGOWNOFSA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCCN(CC[NH2+]C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001343119019 1075108088 /nfs/dbraw/zinc/10/80/88/1075108088.db2.gz ILWFSUAOMVDLBQ-IRXDYDNUSA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCCN(CC[NH2+]C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001343119019 1075108086 /nfs/dbraw/zinc/10/80/86/1075108086.db2.gz ILWFSUAOMVDLBQ-IRXDYDNUSA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119019 1075108083 /nfs/dbraw/zinc/10/80/83/1075108083.db2.gz ILWFSUAOMVDLBQ-IRXDYDNUSA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119019 1075108081 /nfs/dbraw/zinc/10/80/81/1075108081.db2.gz ILWFSUAOMVDLBQ-IRXDYDNUSA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCCN(CC[NH2+]C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001343119021 1075108116 /nfs/dbraw/zinc/10/81/16/1075108116.db2.gz ILWFSUAOMVDLBQ-SJORKVTESA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCCN(CC[NH2+]C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001343119021 1075108114 /nfs/dbraw/zinc/10/81/14/1075108114.db2.gz ILWFSUAOMVDLBQ-SJORKVTESA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119021 1075108109 /nfs/dbraw/zinc/10/81/09/1075108109.db2.gz ILWFSUAOMVDLBQ-SJORKVTESA-N 3 2 399.536 -1.408 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)N(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH2+]C)C1 ZINC001343119021 1075108105 /nfs/dbraw/zinc/10/81/05/1075108105.db2.gz ILWFSUAOMVDLBQ-SJORKVTESA-N 3 2 399.536 -1.408 20 0 GAADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001343341198 1075110717 /nfs/dbraw/zinc/11/07/17/1075110717.db2.gz PXHXXVMKCPZIGH-NEPJUHHUSA-N 2 2 375.495 -1.936 20 0 GAADLP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001343341198 1075110715 /nfs/dbraw/zinc/11/07/15/1075110715.db2.gz PXHXXVMKCPZIGH-NEPJUHHUSA-N 2 2 375.495 -1.936 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001343341204 1075110677 /nfs/dbraw/zinc/11/06/77/1075110677.db2.gz PXHXXVMKCPZIGH-NWDGAFQWSA-N 2 2 375.495 -1.936 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001343341204 1075110675 /nfs/dbraw/zinc/11/06/75/1075110675.db2.gz PXHXXVMKCPZIGH-NWDGAFQWSA-N 2 2 375.495 -1.936 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001343341206 1075110753 /nfs/dbraw/zinc/11/07/53/1075110753.db2.gz PXHXXVMKCPZIGH-RYUDHWBXSA-N 2 2 375.495 -1.936 20 0 GAADLP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001343341206 1075110751 /nfs/dbraw/zinc/11/07/51/1075110751.db2.gz PXHXXVMKCPZIGH-RYUDHWBXSA-N 2 2 375.495 -1.936 20 0 GAADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001343341207 1075110691 /nfs/dbraw/zinc/11/06/91/1075110691.db2.gz PXHXXVMKCPZIGH-VXGBXAGGSA-N 2 2 375.495 -1.936 20 0 GAADLP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)S(N)(=O)=O ZINC001343341207 1075110689 /nfs/dbraw/zinc/11/06/89/1075110689.db2.gz PXHXXVMKCPZIGH-VXGBXAGGSA-N 2 2 375.495 -1.936 20 0 GAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001343371099 1075111499 /nfs/dbraw/zinc/11/14/99/1075111499.db2.gz HHXBWRSLYKPSQE-GFCCVEGCSA-N 2 2 384.444 -1.168 20 0 GAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H]2CC(=O)N(C3C[NH2+]C3)C2)CC1 ZINC001343371279 1075111462 /nfs/dbraw/zinc/11/14/62/1075111462.db2.gz HHXBWRSLYKPSQE-LBPRGKRZSA-N 2 2 384.444 -1.168 20 0 GAADLP CN1CC[NH2+]C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001343559562 1075113609 /nfs/dbraw/zinc/11/36/09/1075113609.db2.gz ICXGOODKEPJNGC-HNNXBMFYSA-N 2 2 375.477 -1.135 20 0 GAADLP CN1CC[NH2+]C[C@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001343559562 1075113608 /nfs/dbraw/zinc/11/36/08/1075113608.db2.gz ICXGOODKEPJNGC-HNNXBMFYSA-N 2 2 375.477 -1.135 20 0 GAADLP CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001343559563 1075113653 /nfs/dbraw/zinc/11/36/53/1075113653.db2.gz ICXGOODKEPJNGC-OAHLLOKOSA-N 2 2 375.477 -1.135 20 0 GAADLP CN1CC[NH2+]C[C@@H]1C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001343559563 1075113650 /nfs/dbraw/zinc/11/36/50/1075113650.db2.gz ICXGOODKEPJNGC-OAHLLOKOSA-N 2 2 375.477 -1.135 20 0 GAADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001344439270 1075115936 /nfs/dbraw/zinc/11/59/36/1075115936.db2.gz WCOPBXJHMVODCJ-KBXCAEBGSA-N 2 2 379.461 -1.305 20 0 GAADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001344439272 1075115977 /nfs/dbraw/zinc/11/59/77/1075115977.db2.gz WCOPBXJHMVODCJ-KDOFPFPSSA-N 2 2 379.461 -1.305 20 0 GAADLP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001344439274 1075115892 /nfs/dbraw/zinc/11/58/92/1075115892.db2.gz WCOPBXJHMVODCJ-KSSFIOAISA-N 2 2 379.461 -1.305 20 0 GAADLP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001344439276 1075115913 /nfs/dbraw/zinc/11/59/13/1075115913.db2.gz WCOPBXJHMVODCJ-RDTXWAMCSA-N 2 2 379.461 -1.305 20 0 GAADLP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC001345054352 1075123577 /nfs/dbraw/zinc/12/35/77/1075123577.db2.gz QLQJYUZZOANXSO-UHFFFAOYSA-N 2 2 396.492 -2.407 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC1 ZINC001345536829 1075129891 /nfs/dbraw/zinc/12/98/91/1075129891.db2.gz OTINXJKYBXPTCK-MAUKXSAKSA-N 2 2 383.493 -1.325 20 0 GAADLP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC1 ZINC001345536829 1075129885 /nfs/dbraw/zinc/12/98/85/1075129885.db2.gz OTINXJKYBXPTCK-MAUKXSAKSA-N 2 2 383.493 -1.325 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCC[NH2+]CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001345798614 1075135335 /nfs/dbraw/zinc/13/53/35/1075135335.db2.gz NNCQJMCRNAESHN-HOTGVXAUSA-N 3 2 385.509 -1.750 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCC[NH2+]CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001345798614 1075135334 /nfs/dbraw/zinc/13/53/34/1075135334.db2.gz NNCQJMCRNAESHN-HOTGVXAUSA-N 3 2 385.509 -1.750 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[NH2+]CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001345798615 1075135377 /nfs/dbraw/zinc/13/53/77/1075135377.db2.gz NNCQJMCRNAESHN-HZPDHXFCSA-N 3 2 385.509 -1.750 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[NH2+]CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001345798615 1075135376 /nfs/dbraw/zinc/13/53/76/1075135376.db2.gz NNCQJMCRNAESHN-HZPDHXFCSA-N 3 2 385.509 -1.750 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[NH2+]CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001345798616 1075135351 /nfs/dbraw/zinc/13/53/51/1075135351.db2.gz NNCQJMCRNAESHN-IYBDPMFKSA-N 3 2 385.509 -1.750 20 0 GAADLP CC[NH+]1CCO[C@@H](C(=O)NCC[NH2+]CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001345798616 1075135350 /nfs/dbraw/zinc/13/53/50/1075135350.db2.gz NNCQJMCRNAESHN-IYBDPMFKSA-N 3 2 385.509 -1.750 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCC[NH2+]CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001345798616 1075135348 /nfs/dbraw/zinc/13/53/48/1075135348.db2.gz NNCQJMCRNAESHN-IYBDPMFKSA-N 3 2 385.509 -1.750 20 0 GAADLP CC[NH+]1CCO[C@H](C(=O)NCC[NH2+]CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001345798616 1075135346 /nfs/dbraw/zinc/13/53/46/1075135346.db2.gz NNCQJMCRNAESHN-IYBDPMFKSA-N 3 2 385.509 -1.750 20 0 GAADLP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001346295915 1075145426 /nfs/dbraw/zinc/14/54/26/1075145426.db2.gz SMOCFVMUUUQNKK-INIZCTEOSA-N 2 2 386.493 -1.635 20 0 GAADLP COCC[NH2+]C1CCN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001346295916 1075145466 /nfs/dbraw/zinc/14/54/66/1075145466.db2.gz SMOCFVMUUUQNKK-MRXNPFEDSA-N 2 2 386.493 -1.635 20 0 GAADLP COCCN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC001346309357 1075145716 /nfs/dbraw/zinc/14/57/16/1075145716.db2.gz XDQDXBIKVMUDRP-HNNXBMFYSA-N 2 2 395.504 -1.412 20 0 GAADLP COCCN1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC001346309357 1075145715 /nfs/dbraw/zinc/14/57/15/1075145715.db2.gz XDQDXBIKVMUDRP-HNNXBMFYSA-N 2 2 395.504 -1.412 20 0 GAADLP COCCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC001346309358 1075145723 /nfs/dbraw/zinc/14/57/23/1075145723.db2.gz XDQDXBIKVMUDRP-OAHLLOKOSA-N 2 2 395.504 -1.412 20 0 GAADLP COCCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1=O ZINC001346309358 1075145721 /nfs/dbraw/zinc/14/57/21/1075145721.db2.gz XDQDXBIKVMUDRP-OAHLLOKOSA-N 2 2 395.504 -1.412 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1C(=O)CCC1=O ZINC001346316666 1075146041 /nfs/dbraw/zinc/14/60/41/1075146041.db2.gz RVSWEQCUYVFMMV-UHFFFAOYSA-N 2 2 381.477 -1.264 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCCN1C(=O)CCC1=O ZINC001346316666 1075146037 /nfs/dbraw/zinc/14/60/37/1075146037.db2.gz RVSWEQCUYVFMMV-UHFFFAOYSA-N 2 2 381.477 -1.264 20 0 GAADLP C/C(=C/C(=O)NC[C@@H]1C[NH+](C)CCN1C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001346482526 1075149876 /nfs/dbraw/zinc/14/98/76/1075149876.db2.gz AUTBJPHYTHRWAI-FAQRCVTKSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C/C(=O)NC[C@@H]1C[NH+](C)CCN1C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001346482526 1075149875 /nfs/dbraw/zinc/14/98/75/1075149875.db2.gz AUTBJPHYTHRWAI-FAQRCVTKSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C/C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001346482526 1075149873 /nfs/dbraw/zinc/14/98/73/1075149873.db2.gz AUTBJPHYTHRWAI-FAQRCVTKSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C/C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001346482526 1075149870 /nfs/dbraw/zinc/14/98/70/1075149870.db2.gz AUTBJPHYTHRWAI-FAQRCVTKSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C\C(=O)NC[C@@H]1C[NH+](C)CCN1C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001346482528 1075150320 /nfs/dbraw/zinc/15/03/20/1075150320.db2.gz AUTBJPHYTHRWAI-GUJBPHSMSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C\C(=O)NC[C@@H]1C[NH+](C)CCN1C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001346482528 1075150317 /nfs/dbraw/zinc/15/03/17/1075150317.db2.gz AUTBJPHYTHRWAI-GUJBPHSMSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C\C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001346482528 1075150316 /nfs/dbraw/zinc/15/03/16/1075150316.db2.gz AUTBJPHYTHRWAI-GUJBPHSMSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C\C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001346482528 1075150313 /nfs/dbraw/zinc/15/03/13/1075150313.db2.gz AUTBJPHYTHRWAI-GUJBPHSMSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C/C(=O)NC[C@@H]1C[NH+](C)CCN1C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001346482529 1075150242 /nfs/dbraw/zinc/15/02/42/1075150242.db2.gz AUTBJPHYTHRWAI-KNUIFBHBSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C/C(=O)NC[C@@H]1C[NH+](C)CCN1C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC001346482529 1075150241 /nfs/dbraw/zinc/15/02/41/1075150241.db2.gz AUTBJPHYTHRWAI-KNUIFBHBSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C/C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001346482529 1075150237 /nfs/dbraw/zinc/15/02/37/1075150237.db2.gz AUTBJPHYTHRWAI-KNUIFBHBSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C/C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC001346482529 1075150232 /nfs/dbraw/zinc/15/02/32/1075150232.db2.gz AUTBJPHYTHRWAI-KNUIFBHBSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C\C(=O)NC[C@@H]1C[NH+](C)CCN1C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001346482530 1075150371 /nfs/dbraw/zinc/15/03/71/1075150371.db2.gz AUTBJPHYTHRWAI-QYHCQRMFSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C\C(=O)NC[C@@H]1C[NH+](C)CCN1C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC001346482530 1075150368 /nfs/dbraw/zinc/15/03/68/1075150368.db2.gz AUTBJPHYTHRWAI-QYHCQRMFSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C\C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001346482530 1075150364 /nfs/dbraw/zinc/15/03/64/1075150364.db2.gz AUTBJPHYTHRWAI-QYHCQRMFSA-N 2 2 380.537 -1.343 20 0 GAADLP C/C(=C\C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC001346482530 1075150361 /nfs/dbraw/zinc/15/03/61/1075150361.db2.gz AUTBJPHYTHRWAI-QYHCQRMFSA-N 2 2 380.537 -1.343 20 0 GAADLP O=C(NCC[NH+]1CCC2(C1)OCCO2)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001346761089 1075153693 /nfs/dbraw/zinc/15/36/93/1075153693.db2.gz FGMSKTLBWSCGHF-DOTOQJQBSA-N 2 2 384.477 -1.040 20 0 GAADLP 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C[C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)N1CC[NH2+]CC1=O ZINC001349608304 1075195629 /nfs/dbraw/zinc/19/56/29/1075195629.db2.gz KUONDWDMTFRMCX-YUELXQCFSA-N 2 2 378.477 -1.447 20 0 GAADLP CN(C(=O)CN1C(=O)CCC1=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001350993970 1075210444 /nfs/dbraw/zinc/21/04/44/1075210444.db2.gz LKOXZTDJMMTATO-UHFFFAOYSA-N 2 2 393.488 -1.168 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)C2)CC1 ZINC001351166014 1075211469 /nfs/dbraw/zinc/21/14/69/1075211469.db2.gz UZFFZYMFDHRESK-QLFBSQMISA-N 2 2 398.529 -1.226 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)C2)CC1 ZINC001351166014 1075211465 /nfs/dbraw/zinc/21/14/65/1075211465.db2.gz UZFFZYMFDHRESK-QLFBSQMISA-N 2 2 398.529 -1.226 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)C2)CC1 ZINC001351166015 1075211582 /nfs/dbraw/zinc/21/15/82/1075211582.db2.gz UZFFZYMFDHRESK-ZNMIVQPWSA-N 2 2 398.529 -1.226 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)C2)CC1 ZINC001351166015 1075211578 /nfs/dbraw/zinc/21/15/78/1075211578.db2.gz UZFFZYMFDHRESK-ZNMIVQPWSA-N 2 2 398.529 -1.226 20 0 GAADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC001351443359 1075214365 /nfs/dbraw/zinc/21/43/65/1075214365.db2.gz VNPFLJVJPGDNIZ-KBPBESRZSA-N 2 2 389.460 -1.456 20 0 GAADLP Cn1cc([C@H]2[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H](O)C(=O)N2C)cn1 ZINC001352433224 1075221867 /nfs/dbraw/zinc/22/18/67/1075221867.db2.gz GVAJQXOHZJAREW-JYJNAYRXSA-N 2 2 380.493 -1.090 20 0 GAADLP Cn1cc([C@H]2[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H](O)C(=O)N2C)cn1 ZINC001352433224 1075221863 /nfs/dbraw/zinc/22/18/63/1075221863.db2.gz GVAJQXOHZJAREW-JYJNAYRXSA-N 2 2 380.493 -1.090 20 0 GAADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C2 ZINC001353236049 1075227673 /nfs/dbraw/zinc/22/76/73/1075227673.db2.gz XLYKGNFPJQVLTR-SUMWQHHRSA-N 2 2 386.518 -1.321 20 0 GAADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001353526268 1075229741 /nfs/dbraw/zinc/22/97/41/1075229741.db2.gz HVEKDOCNILXXQU-VBQJREDUSA-N 2 2 386.518 -1.321 20 0 GAADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001353526268 1075229739 /nfs/dbraw/zinc/22/97/39/1075229739.db2.gz HVEKDOCNILXXQU-VBQJREDUSA-N 2 2 386.518 -1.321 20 0 GAADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001353526270 1075229784 /nfs/dbraw/zinc/22/97/84/1075229784.db2.gz HVEKDOCNILXXQU-ZQIUZPCESA-N 2 2 386.518 -1.321 20 0 GAADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001353526270 1075229781 /nfs/dbraw/zinc/22/97/81/1075229781.db2.gz HVEKDOCNILXXQU-ZQIUZPCESA-N 2 2 386.518 -1.321 20 0 GAADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CC[NH2+][C@@H]3CS(=O)(=O)C[C@@H]32)C1 ZINC001354184275 1075232790 /nfs/dbraw/zinc/23/27/90/1075232790.db2.gz IIFZNXSVSVSQIF-OAGGEKHMSA-N 2 2 388.534 -1.470 20 0 GAADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[NH2+][C@@H]3CS(=O)(=O)C[C@@H]32)C1 ZINC001354184275 1075232787 /nfs/dbraw/zinc/23/27/87/1075232787.db2.gz IIFZNXSVSVSQIF-OAGGEKHMSA-N 2 2 388.534 -1.470 20 0 GAADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+][C@@H]3CS(=O)(=O)C[C@@H]32)C1 ZINC001354184277 1075232823 /nfs/dbraw/zinc/23/28/23/1075232823.db2.gz IIFZNXSVSVSQIF-XHSDSOJGSA-N 2 2 388.534 -1.470 20 0 GAADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CC[NH2+][C@@H]3CS(=O)(=O)C[C@@H]32)C1 ZINC001354184277 1075232820 /nfs/dbraw/zinc/23/28/20/1075232820.db2.gz IIFZNXSVSVSQIF-XHSDSOJGSA-N 2 2 388.534 -1.470 20 0 GAADLP CN1CC[NH2+]C[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001357362064 1075241024 /nfs/dbraw/zinc/24/10/24/1075241024.db2.gz NHCGVPFSBGMNJO-HNNXBMFYSA-N 2 2 396.517 -1.447 20 0 GAADLP CN1CC[NH2+]C[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001357362065 1075240995 /nfs/dbraw/zinc/24/09/95/1075240995.db2.gz NHCGVPFSBGMNJO-OAHLLOKOSA-N 2 2 396.517 -1.447 20 0 GAADLP O=C(N[C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001357412950 1075241064 /nfs/dbraw/zinc/24/10/64/1075241064.db2.gz DSXQSGCRERUFFH-UXLLHSPISA-N 2 2 386.518 -1.857 20 0 GAADLP O=C(N[C@H]1CCN(CC[NH+]2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001357412954 1075240980 /nfs/dbraw/zinc/24/09/80/1075240980.db2.gz DSXQSGCRERUFFH-ZOBUZTSGSA-N 2 2 386.518 -1.857 20 0 GAADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001443429856 1075251056 /nfs/dbraw/zinc/25/10/56/1075251056.db2.gz QNIBUZMCWQYEQM-UHFFFAOYSA-N 2 2 394.476 -1.078 20 0 GAADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCn1cc(C(N)=O)c(=O)[nH]c1=O ZINC001443429856 1075251050 /nfs/dbraw/zinc/25/10/50/1075251050.db2.gz QNIBUZMCWQYEQM-UHFFFAOYSA-N 2 2 394.476 -1.078 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571286959 945966132 /nfs/dbraw/zinc/96/61/32/945966132.db2.gz WRXQAFSARJNMSI-DOMZBBRYSA-N 2 2 388.432 -1.086 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571286959 945966122 /nfs/dbraw/zinc/96/61/22/945966122.db2.gz WRXQAFSARJNMSI-DOMZBBRYSA-N 2 2 388.432 -1.086 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571286960 945965850 /nfs/dbraw/zinc/96/58/50/945965850.db2.gz WRXQAFSARJNMSI-IUODEOHRSA-N 2 2 388.432 -1.086 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571286960 945965846 /nfs/dbraw/zinc/96/58/46/945965846.db2.gz WRXQAFSARJNMSI-IUODEOHRSA-N 2 2 388.432 -1.086 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571286961 945965471 /nfs/dbraw/zinc/96/54/71/945965471.db2.gz WRXQAFSARJNMSI-SWLSCSKDSA-N 2 2 388.432 -1.086 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571286961 945965465 /nfs/dbraw/zinc/96/54/65/945965465.db2.gz WRXQAFSARJNMSI-SWLSCSKDSA-N 2 2 388.432 -1.086 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571286962 945964930 /nfs/dbraw/zinc/96/49/30/945964930.db2.gz WRXQAFSARJNMSI-WFASDCNBSA-N 2 2 388.432 -1.086 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2COCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571286962 945964922 /nfs/dbraw/zinc/96/49/22/945964922.db2.gz WRXQAFSARJNMSI-WFASDCNBSA-N 2 2 388.432 -1.086 20 0 GAADLP CC(=O)NCC(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573520615 946600972 /nfs/dbraw/zinc/60/09/72/946600972.db2.gz MJVKEUXBLBWRJC-UHFFFAOYSA-N 2 2 387.448 -1.188 20 0 GAADLP O=C(CC[NH+]1CCOCC1)NCC1CC([NH2+]CC(=O)NCc2c[nH]nn2)C1 ZINC001577872908 1075350118 /nfs/dbraw/zinc/35/01/18/1075350118.db2.gz PQVZZNRUZYEFRV-UHFFFAOYSA-N 2 2 379.465 -1.372 20 0 GAADLP O=C(CC[NH+]1CCOCC1)NCC1CC([NH2+]CC(=O)NCc2cn[nH]n2)C1 ZINC001577872908 1075350112 /nfs/dbraw/zinc/35/01/12/1075350112.db2.gz PQVZZNRUZYEFRV-UHFFFAOYSA-N 2 2 379.465 -1.372 20 0 GAADLP O=C(C[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1)NCc1cn[nH]n1 ZINC001577941565 1075368709 /nfs/dbraw/zinc/36/87/09/1075368709.db2.gz BCSRYPQQUBWASN-UHFFFAOYSA-N 2 2 376.421 -1.739 20 0 GAADLP O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1)NCc1c[nH]nn1 ZINC001577946084 1075370873 /nfs/dbraw/zinc/37/08/73/1075370873.db2.gz OUNQCJACDDCYLC-HDJSIYSDSA-N 2 2 379.465 -1.372 20 0 GAADLP O=C(C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1)NCc1cn[nH]n1 ZINC001577946084 1075370870 /nfs/dbraw/zinc/37/08/70/1075370870.db2.gz OUNQCJACDDCYLC-HDJSIYSDSA-N 2 2 379.465 -1.372 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578222583 1075399121 /nfs/dbraw/zinc/39/91/21/1075399121.db2.gz NPNPHVUZVOTJQN-HNNXBMFYSA-N 2 2 390.448 -1.363 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578222583 1075399115 /nfs/dbraw/zinc/39/91/15/1075399115.db2.gz NPNPHVUZVOTJQN-HNNXBMFYSA-N 2 2 390.448 -1.363 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578222584 1075399296 /nfs/dbraw/zinc/39/92/96/1075399296.db2.gz NPNPHVUZVOTJQN-OAHLLOKOSA-N 2 2 390.448 -1.363 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578222584 1075399293 /nfs/dbraw/zinc/39/92/93/1075399293.db2.gz NPNPHVUZVOTJQN-OAHLLOKOSA-N 2 2 390.448 -1.363 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578223396 1075400004 /nfs/dbraw/zinc/40/00/04/1075400004.db2.gz ZPJDPECMVYQJLK-DOMZBBRYSA-N 2 2 390.448 -1.365 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578223396 1075400003 /nfs/dbraw/zinc/40/00/03/1075400003.db2.gz ZPJDPECMVYQJLK-DOMZBBRYSA-N 2 2 390.448 -1.365 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578223397 1075400093 /nfs/dbraw/zinc/40/00/93/1075400093.db2.gz ZPJDPECMVYQJLK-IUODEOHRSA-N 2 2 390.448 -1.365 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578223397 1075400090 /nfs/dbraw/zinc/40/00/90/1075400090.db2.gz ZPJDPECMVYQJLK-IUODEOHRSA-N 2 2 390.448 -1.365 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578223398 1075399981 /nfs/dbraw/zinc/39/99/81/1075399981.db2.gz ZPJDPECMVYQJLK-SWLSCSKDSA-N 2 2 390.448 -1.365 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578223398 1075399975 /nfs/dbraw/zinc/39/99/75/1075399975.db2.gz ZPJDPECMVYQJLK-SWLSCSKDSA-N 2 2 390.448 -1.365 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578223399 1075399964 /nfs/dbraw/zinc/39/99/64/1075399964.db2.gz ZPJDPECMVYQJLK-WFASDCNBSA-N 2 2 390.448 -1.365 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578223399 1075399957 /nfs/dbraw/zinc/39/99/57/1075399957.db2.gz ZPJDPECMVYQJLK-WFASDCNBSA-N 2 2 390.448 -1.365 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224314 1075401920 /nfs/dbraw/zinc/40/19/20/1075401920.db2.gz LRZLLOYONWFYHW-DOMZBBRYSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224314 1075401916 /nfs/dbraw/zinc/40/19/16/1075401916.db2.gz LRZLLOYONWFYHW-DOMZBBRYSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224315 1075401954 /nfs/dbraw/zinc/40/19/54/1075401954.db2.gz LRZLLOYONWFYHW-IUODEOHRSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224315 1075401952 /nfs/dbraw/zinc/40/19/52/1075401952.db2.gz LRZLLOYONWFYHW-IUODEOHRSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224316 1075401756 /nfs/dbraw/zinc/40/17/56/1075401756.db2.gz LRZLLOYONWFYHW-SWLSCSKDSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224316 1075401752 /nfs/dbraw/zinc/40/17/52/1075401752.db2.gz LRZLLOYONWFYHW-SWLSCSKDSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224317 1075401985 /nfs/dbraw/zinc/40/19/85/1075401985.db2.gz LRZLLOYONWFYHW-WFASDCNBSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224317 1075401983 /nfs/dbraw/zinc/40/19/83/1075401983.db2.gz LRZLLOYONWFYHW-WFASDCNBSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224318 1075401888 /nfs/dbraw/zinc/40/18/88/1075401888.db2.gz LSNVZCBLURSPTA-DOMZBBRYSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224318 1075401884 /nfs/dbraw/zinc/40/18/84/1075401884.db2.gz LSNVZCBLURSPTA-DOMZBBRYSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224319 1075401737 /nfs/dbraw/zinc/40/17/37/1075401737.db2.gz LSNVZCBLURSPTA-IUODEOHRSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224319 1075401734 /nfs/dbraw/zinc/40/17/34/1075401734.db2.gz LSNVZCBLURSPTA-IUODEOHRSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224320 1075401717 /nfs/dbraw/zinc/40/17/17/1075401717.db2.gz LSNVZCBLURSPTA-SWLSCSKDSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224320 1075401709 /nfs/dbraw/zinc/40/17/09/1075401709.db2.gz LSNVZCBLURSPTA-SWLSCSKDSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224321 1075401973 /nfs/dbraw/zinc/40/19/73/1075401973.db2.gz LSNVZCBLURSPTA-WFASDCNBSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224321 1075401969 /nfs/dbraw/zinc/40/19/69/1075401969.db2.gz LSNVZCBLURSPTA-WFASDCNBSA-N 2 2 390.448 -1.398 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224400 1075401995 /nfs/dbraw/zinc/40/19/95/1075401995.db2.gz NGQPWRYZYYMVTH-BXUZGUMPSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224400 1075401992 /nfs/dbraw/zinc/40/19/92/1075401992.db2.gz NGQPWRYZYYMVTH-BXUZGUMPSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224401 1075401660 /nfs/dbraw/zinc/40/16/60/1075401660.db2.gz NGQPWRYZYYMVTH-FZMZJTMJSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224401 1075401655 /nfs/dbraw/zinc/40/16/55/1075401655.db2.gz NGQPWRYZYYMVTH-FZMZJTMJSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224402 1075402021 /nfs/dbraw/zinc/40/20/21/1075402021.db2.gz NGQPWRYZYYMVTH-RISCZKNCSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224402 1075402017 /nfs/dbraw/zinc/40/20/17/1075402017.db2.gz NGQPWRYZYYMVTH-RISCZKNCSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224403 1075402541 /nfs/dbraw/zinc/40/25/41/1075402541.db2.gz NGQPWRYZYYMVTH-SMDDNHRTSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224403 1075402538 /nfs/dbraw/zinc/40/25/38/1075402538.db2.gz NGQPWRYZYYMVTH-SMDDNHRTSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224871 1075402975 /nfs/dbraw/zinc/40/29/75/1075402975.db2.gz UAMMOGXTEJJMSZ-BXUZGUMPSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224871 1075402974 /nfs/dbraw/zinc/40/29/74/1075402974.db2.gz UAMMOGXTEJJMSZ-BXUZGUMPSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224872 1075403133 /nfs/dbraw/zinc/40/31/33/1075403133.db2.gz UAMMOGXTEJJMSZ-FZMZJTMJSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224872 1075403128 /nfs/dbraw/zinc/40/31/28/1075403128.db2.gz UAMMOGXTEJJMSZ-FZMZJTMJSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224873 1075403105 /nfs/dbraw/zinc/40/31/05/1075403105.db2.gz UAMMOGXTEJJMSZ-RISCZKNCSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224873 1075403099 /nfs/dbraw/zinc/40/30/99/1075403099.db2.gz UAMMOGXTEJJMSZ-RISCZKNCSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224874 1075403232 /nfs/dbraw/zinc/40/32/32/1075403232.db2.gz UAMMOGXTEJJMSZ-SMDDNHRTSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001578224874 1075403230 /nfs/dbraw/zinc/40/32/30/1075403230.db2.gz UAMMOGXTEJJMSZ-SMDDNHRTSA-N 2 2 376.421 -1.707 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001578225050 1075403732 /nfs/dbraw/zinc/40/37/32/1075403732.db2.gz YAQQPGJTAXVZFZ-BPLDGKMQSA-N 2 2 388.432 -1.352 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001578225050 1075403729 /nfs/dbraw/zinc/40/37/29/1075403729.db2.gz YAQQPGJTAXVZFZ-BPLDGKMQSA-N 2 2 388.432 -1.352 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001578225051 1075403625 /nfs/dbraw/zinc/40/36/25/1075403625.db2.gz YAQQPGJTAXVZFZ-SNPRPXQTSA-N 2 2 388.432 -1.352 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001578225051 1075403620 /nfs/dbraw/zinc/40/36/20/1075403620.db2.gz YAQQPGJTAXVZFZ-SNPRPXQTSA-N 2 2 388.432 -1.352 20 0 GAADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001578225052 1075403847 /nfs/dbraw/zinc/40/38/47/1075403847.db2.gz YAQQPGJTAXVZFZ-VHDGCEQUSA-N 2 2 388.432 -1.352 20 0 GAADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001578225052 1075403845 /nfs/dbraw/zinc/40/38/45/1075403845.db2.gz YAQQPGJTAXVZFZ-VHDGCEQUSA-N 2 2 388.432 -1.352 20 0 GAADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001578225053 1075403883 /nfs/dbraw/zinc/40/38/83/1075403883.db2.gz YAQQPGJTAXVZFZ-YUELXQCFSA-N 2 2 388.432 -1.352 20 0 GAADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001578225053 1075403881 /nfs/dbraw/zinc/40/38/81/1075403881.db2.gz YAQQPGJTAXVZFZ-YUELXQCFSA-N 2 2 388.432 -1.352 20 0 GAADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001578991699 1075461244 /nfs/dbraw/zinc/46/12/44/1075461244.db2.gz YJHDUFZQPNAFAI-UHFFFAOYSA-N 2 2 379.425 -1.919 20 0 GAADLP Cn1c(=O)[nH]c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(-c2nn[nH]n2)c1=O ZINC001578992188 1075461257 /nfs/dbraw/zinc/46/12/57/1075461257.db2.gz OZJPSFUUCZUPIV-GHMZBOCLSA-N 2 2 377.453 -1.571 20 0 GAADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)no1 ZINC001578992796 1075461086 /nfs/dbraw/zinc/46/10/86/1075461086.db2.gz GVKVHBJMXCJOEQ-JTQLQIEISA-N 2 2 387.404 -1.064 20 0 GAADLP C[NH+](C)Cc1cc(C(=O)NC[C@H](CO)Nc2cc[nH+]cc2-c2nn[nH]n2)no1 ZINC001578992797 1075461073 /nfs/dbraw/zinc/46/10/73/1075461073.db2.gz GVKVHBJMXCJOEQ-SNVBAGLBSA-N 2 2 387.404 -1.064 20 0 GAADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)no1 ZINC001578992882 1075461114 /nfs/dbraw/zinc/46/11/14/1075461114.db2.gz LGRKLRMQMYOJLV-JTQLQIEISA-N 2 2 387.404 -1.064 20 0 GAADLP C[NH+](C)Cc1cc(C(=O)NC[C@H](O)CNc2cc[nH+]cc2-c2nn[nH]n2)no1 ZINC001578992883 1075461673 /nfs/dbraw/zinc/46/16/73/1075461673.db2.gz LGRKLRMQMYOJLV-SNVBAGLBSA-N 2 2 387.404 -1.064 20 0 GAADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001579338019 1075559977 /nfs/dbraw/zinc/55/99/77/1075559977.db2.gz FAVXOTMOGDWPGD-CYBMUJFWSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001579338019 1075559972 /nfs/dbraw/zinc/55/99/72/1075559972.db2.gz FAVXOTMOGDWPGD-CYBMUJFWSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001579338020 1075560054 /nfs/dbraw/zinc/56/00/54/1075560054.db2.gz FAVXOTMOGDWPGD-ZDUSSCGKSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 ZINC001579338020 1075560052 /nfs/dbraw/zinc/56/00/52/1075560052.db2.gz FAVXOTMOGDWPGD-ZDUSSCGKSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 ZINC001579338560 1075559947 /nfs/dbraw/zinc/55/99/47/1075559947.db2.gz PFSBXUVBXCGPBW-CYBMUJFWSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 ZINC001579338560 1075559939 /nfs/dbraw/zinc/55/99/39/1075559939.db2.gz PFSBXUVBXCGPBW-CYBMUJFWSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 ZINC001579338561 1075560380 /nfs/dbraw/zinc/56/03/80/1075560380.db2.gz PFSBXUVBXCGPBW-ZDUSSCGKSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 ZINC001579338561 1075560375 /nfs/dbraw/zinc/56/03/75/1075560375.db2.gz PFSBXUVBXCGPBW-ZDUSSCGKSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001579338880 1075560548 /nfs/dbraw/zinc/56/05/48/1075560548.db2.gz ZWKGLDLGGNGDRQ-CYBMUJFWSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001579338880 1075560546 /nfs/dbraw/zinc/56/05/46/1075560546.db2.gz ZWKGLDLGGNGDRQ-CYBMUJFWSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001579338881 1075560474 /nfs/dbraw/zinc/56/04/74/1075560474.db2.gz ZWKGLDLGGNGDRQ-ZDUSSCGKSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001579338881 1075560472 /nfs/dbraw/zinc/56/04/72/1075560472.db2.gz ZWKGLDLGGNGDRQ-ZDUSSCGKSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579375665 1075572724 /nfs/dbraw/zinc/57/27/24/1075572724.db2.gz BGJPZKQXTVGIJG-CMPLNLGQSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579375665 1075572720 /nfs/dbraw/zinc/57/27/20/1075572720.db2.gz BGJPZKQXTVGIJG-CMPLNLGQSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579375666 1075572516 /nfs/dbraw/zinc/57/25/16/1075572516.db2.gz BGJPZKQXTVGIJG-JQWIXIFHSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579375666 1075572512 /nfs/dbraw/zinc/57/25/12/1075572512.db2.gz BGJPZKQXTVGIJG-JQWIXIFHSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579375667 1075572643 /nfs/dbraw/zinc/57/26/43/1075572643.db2.gz BGJPZKQXTVGIJG-PWSUYJOCSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579375667 1075572638 /nfs/dbraw/zinc/57/26/38/1075572638.db2.gz BGJPZKQXTVGIJG-PWSUYJOCSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579375668 1075572711 /nfs/dbraw/zinc/57/27/11/1075572711.db2.gz BGJPZKQXTVGIJG-ZYHUDNBSSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579375668 1075572708 /nfs/dbraw/zinc/57/27/08/1075572708.db2.gz BGJPZKQXTVGIJG-ZYHUDNBSSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376021 1075572948 /nfs/dbraw/zinc/57/29/48/1075572948.db2.gz JDSQVVVYZUVJDB-CABCVRRESA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376021 1075572945 /nfs/dbraw/zinc/57/29/45/1075572945.db2.gz JDSQVVVYZUVJDB-CABCVRRESA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376022 1075573123 /nfs/dbraw/zinc/57/31/23/1075573123.db2.gz JDSQVVVYZUVJDB-GJZGRUSLSA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376022 1075573118 /nfs/dbraw/zinc/57/31/18/1075573118.db2.gz JDSQVVVYZUVJDB-GJZGRUSLSA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376023 1075573151 /nfs/dbraw/zinc/57/31/51/1075573151.db2.gz JDSQVVVYZUVJDB-HUUCEWRRSA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376023 1075573149 /nfs/dbraw/zinc/57/31/49/1075573149.db2.gz JDSQVVVYZUVJDB-HUUCEWRRSA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376024 1075573162 /nfs/dbraw/zinc/57/31/62/1075573162.db2.gz JDSQVVVYZUVJDB-LSDHHAIUSA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001579376024 1075573160 /nfs/dbraw/zinc/57/31/60/1075573160.db2.gz JDSQVVVYZUVJDB-LSDHHAIUSA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579376115 1075573370 /nfs/dbraw/zinc/57/33/70/1075573370.db2.gz KTKAADKEGKJAPT-CMPLNLGQSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579376115 1075573368 /nfs/dbraw/zinc/57/33/68/1075573368.db2.gz KTKAADKEGKJAPT-CMPLNLGQSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579376116 1075573481 /nfs/dbraw/zinc/57/34/81/1075573481.db2.gz KTKAADKEGKJAPT-JQWIXIFHSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579376116 1075573480 /nfs/dbraw/zinc/57/34/80/1075573480.db2.gz KTKAADKEGKJAPT-JQWIXIFHSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579376117 1075573654 /nfs/dbraw/zinc/57/36/54/1075573654.db2.gz KTKAADKEGKJAPT-PWSUYJOCSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579376117 1075573651 /nfs/dbraw/zinc/57/36/51/1075573651.db2.gz KTKAADKEGKJAPT-PWSUYJOCSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579376118 1075573434 /nfs/dbraw/zinc/57/34/34/1075573434.db2.gz KTKAADKEGKJAPT-ZYHUDNBSSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001579376118 1075573430 /nfs/dbraw/zinc/57/34/30/1075573430.db2.gz KTKAADKEGKJAPT-ZYHUDNBSSA-N 2 2 381.462 -1.175 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579376853 1075575004 /nfs/dbraw/zinc/57/50/04/1075575004.db2.gz GCVFFLVMDBIBLO-AWEZNQCLSA-N 2 2 376.421 -1.753 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579376853 1075575000 /nfs/dbraw/zinc/57/50/00/1075575000.db2.gz GCVFFLVMDBIBLO-AWEZNQCLSA-N 2 2 376.421 -1.753 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579376854 1075575108 /nfs/dbraw/zinc/57/51/08/1075575108.db2.gz GCVFFLVMDBIBLO-CQSZACIVSA-N 2 2 376.421 -1.753 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)N(CCO)CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001579376854 1075575106 /nfs/dbraw/zinc/57/51/06/1075575106.db2.gz GCVFFLVMDBIBLO-CQSZACIVSA-N 2 2 376.421 -1.753 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579376903 1075575838 /nfs/dbraw/zinc/57/58/38/1075575838.db2.gz YEYOKSKDMNHSSG-DOMZBBRYSA-N 2 2 388.432 -1.347 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579376903 1075575833 /nfs/dbraw/zinc/57/58/33/1075575833.db2.gz YEYOKSKDMNHSSG-DOMZBBRYSA-N 2 2 388.432 -1.347 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579376904 1075575802 /nfs/dbraw/zinc/57/58/02/1075575802.db2.gz YEYOKSKDMNHSSG-IUODEOHRSA-N 2 2 388.432 -1.347 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579376904 1075575799 /nfs/dbraw/zinc/57/57/99/1075575799.db2.gz YEYOKSKDMNHSSG-IUODEOHRSA-N 2 2 388.432 -1.347 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579376905 1075575872 /nfs/dbraw/zinc/57/58/72/1075575872.db2.gz YEYOKSKDMNHSSG-SWLSCSKDSA-N 2 2 388.432 -1.347 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579376905 1075575869 /nfs/dbraw/zinc/57/58/69/1075575869.db2.gz YEYOKSKDMNHSSG-SWLSCSKDSA-N 2 2 388.432 -1.347 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579376906 1075575657 /nfs/dbraw/zinc/57/56/57/1075575657.db2.gz YEYOKSKDMNHSSG-WFASDCNBSA-N 2 2 388.432 -1.347 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579376906 1075575653 /nfs/dbraw/zinc/57/56/53/1075575653.db2.gz YEYOKSKDMNHSSG-WFASDCNBSA-N 2 2 388.432 -1.347 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376969 1075575595 /nfs/dbraw/zinc/57/55/95/1075575595.db2.gz ZEFHDWQUWHOKCL-CABCVRRESA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376969 1075575592 /nfs/dbraw/zinc/57/55/92/1075575592.db2.gz ZEFHDWQUWHOKCL-CABCVRRESA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376970 1075575641 /nfs/dbraw/zinc/57/56/41/1075575641.db2.gz ZEFHDWQUWHOKCL-GJZGRUSLSA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376970 1075575636 /nfs/dbraw/zinc/57/56/36/1075575636.db2.gz ZEFHDWQUWHOKCL-GJZGRUSLSA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376971 1075576297 /nfs/dbraw/zinc/57/62/97/1075576297.db2.gz ZEFHDWQUWHOKCL-HUUCEWRRSA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376971 1075576286 /nfs/dbraw/zinc/57/62/86/1075576286.db2.gz ZEFHDWQUWHOKCL-HUUCEWRRSA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376972 1075576433 /nfs/dbraw/zinc/57/64/33/1075576433.db2.gz ZEFHDWQUWHOKCL-LSDHHAIUSA-N 2 2 375.433 -1.236 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001579376972 1075576429 /nfs/dbraw/zinc/57/64/29/1075576429.db2.gz ZEFHDWQUWHOKCL-LSDHHAIUSA-N 2 2 375.433 -1.236 20 0 GAADLP CN(C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377342 1075576870 /nfs/dbraw/zinc/57/68/70/1075576870.db2.gz NFWGOXCPMJEWHX-BXUZGUMPSA-N 2 2 376.421 -1.755 20 0 GAADLP CN(C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377342 1075576868 /nfs/dbraw/zinc/57/68/68/1075576868.db2.gz NFWGOXCPMJEWHX-BXUZGUMPSA-N 2 2 376.421 -1.755 20 0 GAADLP CN(C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377343 1075576663 /nfs/dbraw/zinc/57/66/63/1075576663.db2.gz NFWGOXCPMJEWHX-FZMZJTMJSA-N 2 2 376.421 -1.755 20 0 GAADLP CN(C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377343 1075576657 /nfs/dbraw/zinc/57/66/57/1075576657.db2.gz NFWGOXCPMJEWHX-FZMZJTMJSA-N 2 2 376.421 -1.755 20 0 GAADLP CN(C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579377344 1075576826 /nfs/dbraw/zinc/57/68/26/1075576826.db2.gz NFWGOXCPMJEWHX-RISCZKNCSA-N 2 2 376.421 -1.755 20 0 GAADLP CN(C[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579377344 1075576824 /nfs/dbraw/zinc/57/68/24/1075576824.db2.gz NFWGOXCPMJEWHX-RISCZKNCSA-N 2 2 376.421 -1.755 20 0 GAADLP CN(C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579377345 1075576682 /nfs/dbraw/zinc/57/66/82/1075576682.db2.gz NFWGOXCPMJEWHX-SMDDNHRTSA-N 2 2 376.421 -1.755 20 0 GAADLP CN(C[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579377345 1075576678 /nfs/dbraw/zinc/57/66/78/1075576678.db2.gz NFWGOXCPMJEWHX-SMDDNHRTSA-N 2 2 376.421 -1.755 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001579378834 1075579812 /nfs/dbraw/zinc/57/98/12/1075579812.db2.gz OWPVENONECDMLS-BZUAXINKSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001579378834 1075579810 /nfs/dbraw/zinc/57/98/10/1075579810.db2.gz OWPVENONECDMLS-BZUAXINKSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001579378834 1075579807 /nfs/dbraw/zinc/57/98/07/1075579807.db2.gz OWPVENONECDMLS-BZUAXINKSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001579378834 1075579806 /nfs/dbraw/zinc/57/98/06/1075579806.db2.gz OWPVENONECDMLS-BZUAXINKSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001579378835 1075580544 /nfs/dbraw/zinc/58/05/44/1075580544.db2.gz OWPVENONECDMLS-OAGGEKHMSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001579378835 1075580543 /nfs/dbraw/zinc/58/05/43/1075580543.db2.gz OWPVENONECDMLS-OAGGEKHMSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001579378835 1075580542 /nfs/dbraw/zinc/58/05/42/1075580542.db2.gz OWPVENONECDMLS-OAGGEKHMSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]2O)C1 ZINC001579378835 1075580541 /nfs/dbraw/zinc/58/05/41/1075580541.db2.gz OWPVENONECDMLS-OAGGEKHMSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001579378838 1075580296 /nfs/dbraw/zinc/58/02/96/1075580296.db2.gz OWPVENONECDMLS-OWCLPIDISA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001579378838 1075580289 /nfs/dbraw/zinc/58/02/89/1075580289.db2.gz OWPVENONECDMLS-OWCLPIDISA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001579378838 1075580285 /nfs/dbraw/zinc/58/02/85/1075580285.db2.gz OWPVENONECDMLS-OWCLPIDISA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001579378838 1075580279 /nfs/dbraw/zinc/58/02/79/1075580279.db2.gz OWPVENONECDMLS-OWCLPIDISA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001579378840 1075580504 /nfs/dbraw/zinc/58/05/04/1075580504.db2.gz OWPVENONECDMLS-PMPSAXMXSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001579378840 1075580502 /nfs/dbraw/zinc/58/05/02/1075580502.db2.gz OWPVENONECDMLS-PMPSAXMXSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001579378840 1075580500 /nfs/dbraw/zinc/58/05/00/1075580500.db2.gz OWPVENONECDMLS-PMPSAXMXSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)C1 ZINC001579378840 1075580498 /nfs/dbraw/zinc/58/04/98/1075580498.db2.gz OWPVENONECDMLS-PMPSAXMXSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001579379171 1075580799 /nfs/dbraw/zinc/58/07/99/1075580799.db2.gz RCPIANAQKXRCLZ-BZUAXINKSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001579379171 1075580796 /nfs/dbraw/zinc/58/07/96/1075580796.db2.gz RCPIANAQKXRCLZ-BZUAXINKSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001579379171 1075580791 /nfs/dbraw/zinc/58/07/91/1075580791.db2.gz RCPIANAQKXRCLZ-BZUAXINKSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001579379171 1075580787 /nfs/dbraw/zinc/58/07/87/1075580787.db2.gz RCPIANAQKXRCLZ-BZUAXINKSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001579379173 1075580937 /nfs/dbraw/zinc/58/09/37/1075580937.db2.gz RCPIANAQKXRCLZ-OAGGEKHMSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001579379173 1075580932 /nfs/dbraw/zinc/58/09/32/1075580932.db2.gz RCPIANAQKXRCLZ-OAGGEKHMSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001579379173 1075580927 /nfs/dbraw/zinc/58/09/27/1075580927.db2.gz RCPIANAQKXRCLZ-OAGGEKHMSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)C1 ZINC001579379173 1075580922 /nfs/dbraw/zinc/58/09/22/1075580922.db2.gz RCPIANAQKXRCLZ-OAGGEKHMSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001579379176 1075580829 /nfs/dbraw/zinc/58/08/29/1075580829.db2.gz RCPIANAQKXRCLZ-OWCLPIDISA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001579379176 1075580825 /nfs/dbraw/zinc/58/08/25/1075580825.db2.gz RCPIANAQKXRCLZ-OWCLPIDISA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001579379176 1075580822 /nfs/dbraw/zinc/58/08/22/1075580822.db2.gz RCPIANAQKXRCLZ-OWCLPIDISA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001579379176 1075580818 /nfs/dbraw/zinc/58/08/18/1075580818.db2.gz RCPIANAQKXRCLZ-OWCLPIDISA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001579379177 1075581164 /nfs/dbraw/zinc/58/11/64/1075581164.db2.gz RCPIANAQKXRCLZ-PMPSAXMXSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001579379177 1075581163 /nfs/dbraw/zinc/58/11/63/1075581163.db2.gz RCPIANAQKXRCLZ-PMPSAXMXSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001579379177 1075581159 /nfs/dbraw/zinc/58/11/59/1075581159.db2.gz RCPIANAQKXRCLZ-PMPSAXMXSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)C1 ZINC001579379177 1075581157 /nfs/dbraw/zinc/58/11/57/1075581157.db2.gz RCPIANAQKXRCLZ-PMPSAXMXSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579379187 1075580763 /nfs/dbraw/zinc/58/07/63/1075580763.db2.gz RFVCTQBYIRKTML-PBHICJAKSA-N 2 2 388.432 -1.350 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579379187 1075580760 /nfs/dbraw/zinc/58/07/60/1075580760.db2.gz RFVCTQBYIRKTML-PBHICJAKSA-N 2 2 388.432 -1.350 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579379190 1075581006 /nfs/dbraw/zinc/58/10/06/1075581006.db2.gz RFVCTQBYIRKTML-RHSMWYFYSA-N 2 2 388.432 -1.350 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579379190 1075581002 /nfs/dbraw/zinc/58/10/02/1075581002.db2.gz RFVCTQBYIRKTML-RHSMWYFYSA-N 2 2 388.432 -1.350 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579379193 1075581051 /nfs/dbraw/zinc/58/10/51/1075581051.db2.gz RFVCTQBYIRKTML-WMLDXEAASA-N 2 2 388.432 -1.350 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579379193 1075581046 /nfs/dbraw/zinc/58/10/46/1075581046.db2.gz RFVCTQBYIRKTML-WMLDXEAASA-N 2 2 388.432 -1.350 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579379195 1075580945 /nfs/dbraw/zinc/58/09/45/1075580945.db2.gz RFVCTQBYIRKTML-YOEHRIQHSA-N 2 2 388.432 -1.350 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@]2(O)CCN(c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001579379195 1075580942 /nfs/dbraw/zinc/58/09/42/1075580942.db2.gz RFVCTQBYIRKTML-YOEHRIQHSA-N 2 2 388.432 -1.350 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001579379593 1075581616 /nfs/dbraw/zinc/58/16/16/1075581616.db2.gz XRUFNJKPUWMHKW-OWCLPIDISA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001579379593 1075581612 /nfs/dbraw/zinc/58/16/12/1075581612.db2.gz XRUFNJKPUWMHKW-OWCLPIDISA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001579379593 1075581610 /nfs/dbraw/zinc/58/16/10/1075581610.db2.gz XRUFNJKPUWMHKW-OWCLPIDISA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001579379593 1075581606 /nfs/dbraw/zinc/58/16/06/1075581606.db2.gz XRUFNJKPUWMHKW-OWCLPIDISA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001579379594 1075581514 /nfs/dbraw/zinc/58/15/14/1075581514.db2.gz XRUFNJKPUWMHKW-PMPSAXMXSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001579379594 1075581512 /nfs/dbraw/zinc/58/15/12/1075581512.db2.gz XRUFNJKPUWMHKW-PMPSAXMXSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001579379594 1075581508 /nfs/dbraw/zinc/58/15/08/1075581508.db2.gz XRUFNJKPUWMHKW-PMPSAXMXSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)C1 ZINC001579379594 1075581505 /nfs/dbraw/zinc/58/15/05/1075581505.db2.gz XRUFNJKPUWMHKW-PMPSAXMXSA-N 2 2 387.444 -1.141 20 0 GAADLP CO[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001579860413 1075680039 /nfs/dbraw/zinc/68/00/39/1075680039.db2.gz HEPZCFJATOLFFE-BPLDGKMQSA-N 2 2 388.432 -1.088 20 0 GAADLP CO[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001579860413 1075680036 /nfs/dbraw/zinc/68/00/36/1075680036.db2.gz HEPZCFJATOLFFE-BPLDGKMQSA-N 2 2 388.432 -1.088 20 0 GAADLP CO[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001579860414 1075680109 /nfs/dbraw/zinc/68/01/09/1075680109.db2.gz HEPZCFJATOLFFE-YUELXQCFSA-N 2 2 388.432 -1.088 20 0 GAADLP CO[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001579860414 1075680107 /nfs/dbraw/zinc/68/01/07/1075680107.db2.gz HEPZCFJATOLFFE-YUELXQCFSA-N 2 2 388.432 -1.088 20 0 GAADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580973915 1075743971 /nfs/dbraw/zinc/74/39/71/1075743971.db2.gz CVDXVEHDGAGCFJ-BPLDGKMQSA-N 2 2 388.432 -1.434 20 0 GAADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580973915 1075743970 /nfs/dbraw/zinc/74/39/70/1075743970.db2.gz CVDXVEHDGAGCFJ-BPLDGKMQSA-N 2 2 388.432 -1.434 20 0 GAADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580973916 1075743961 /nfs/dbraw/zinc/74/39/61/1075743961.db2.gz CVDXVEHDGAGCFJ-YUELXQCFSA-N 2 2 388.432 -1.434 20 0 GAADLP Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580973916 1075743959 /nfs/dbraw/zinc/74/39/59/1075743959.db2.gz CVDXVEHDGAGCFJ-YUELXQCFSA-N 2 2 388.432 -1.434 20 0 GAADLP Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580997094 1075745443 /nfs/dbraw/zinc/74/54/43/1075745443.db2.gz BZHALGIYZMUPMI-BXUZGUMPSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(N[C@@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580997094 1075745437 /nfs/dbraw/zinc/74/54/37/1075745437.db2.gz BZHALGIYZMUPMI-BXUZGUMPSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(N[C@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580997095 1075745311 /nfs/dbraw/zinc/74/53/11/1075745311.db2.gz BZHALGIYZMUPMI-FZMZJTMJSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(N[C@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580997095 1075745306 /nfs/dbraw/zinc/74/53/06/1075745306.db2.gz BZHALGIYZMUPMI-FZMZJTMJSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(N[C@@H](CO)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580997096 1075745425 /nfs/dbraw/zinc/74/54/25/1075745425.db2.gz BZHALGIYZMUPMI-RISCZKNCSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(N[C@@H](CO)CNC(=O)[C@@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580997096 1075745424 /nfs/dbraw/zinc/74/54/24/1075745424.db2.gz BZHALGIYZMUPMI-RISCZKNCSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(N[C@H](CO)CNC(=O)[C@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580997097 1075745460 /nfs/dbraw/zinc/74/54/60/1075745460.db2.gz BZHALGIYZMUPMI-SMDDNHRTSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(N[C@H](CO)CNC(=O)[C@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580997097 1075745455 /nfs/dbraw/zinc/74/54/55/1075745455.db2.gz BZHALGIYZMUPMI-SMDDNHRTSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(N[C@@H](CO)CNC(=O)CC[NH+]2CCOCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580997884 1075746328 /nfs/dbraw/zinc/74/63/28/1075746328.db2.gz SVCYBFFNBUDBMO-CYBMUJFWSA-N 2 2 390.448 -1.397 20 0 GAADLP Cc1cc(N[C@H](CO)CNC(=O)CC[NH+]2CCOCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001580997885 1075746359 /nfs/dbraw/zinc/74/63/59/1075746359.db2.gz SVCYBFFNBUDBMO-ZDUSSCGKSA-N 2 2 390.448 -1.397 20 0 GAADLP Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014368 1075747263 /nfs/dbraw/zinc/74/72/63/1075747263.db2.gz HMAHXLOVNHLUQC-DOMZBBRYSA-N 2 2 390.448 -1.446 20 0 GAADLP Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014368 1075747261 /nfs/dbraw/zinc/74/72/61/1075747261.db2.gz HMAHXLOVNHLUQC-DOMZBBRYSA-N 2 2 390.448 -1.446 20 0 GAADLP Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014369 1075747159 /nfs/dbraw/zinc/74/71/59/1075747159.db2.gz HMAHXLOVNHLUQC-IUODEOHRSA-N 2 2 390.448 -1.446 20 0 GAADLP Cc1cc(NC[C@@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014369 1075747154 /nfs/dbraw/zinc/74/71/54/1075747154.db2.gz HMAHXLOVNHLUQC-IUODEOHRSA-N 2 2 390.448 -1.446 20 0 GAADLP Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014370 1075747271 /nfs/dbraw/zinc/74/72/71/1075747271.db2.gz HMAHXLOVNHLUQC-SWLSCSKDSA-N 2 2 390.448 -1.446 20 0 GAADLP Cc1cc(NC[C@H](O)CN(C)C(=O)[C@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014370 1075747269 /nfs/dbraw/zinc/74/72/69/1075747269.db2.gz HMAHXLOVNHLUQC-SWLSCSKDSA-N 2 2 390.448 -1.446 20 0 GAADLP Cc1cc(NC[C@H](O)CN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014371 1075747226 /nfs/dbraw/zinc/74/72/26/1075747226.db2.gz HMAHXLOVNHLUQC-WFASDCNBSA-N 2 2 390.448 -1.446 20 0 GAADLP Cc1cc(NC[C@H](O)CN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014371 1075747222 /nfs/dbraw/zinc/74/72/22/1075747222.db2.gz HMAHXLOVNHLUQC-WFASDCNBSA-N 2 2 390.448 -1.446 20 0 GAADLP Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014546 1075747430 /nfs/dbraw/zinc/74/74/30/1075747430.db2.gz IRTPJGDQEMCUKC-BXUZGUMPSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(NC[C@@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014546 1075747426 /nfs/dbraw/zinc/74/74/26/1075747426.db2.gz IRTPJGDQEMCUKC-BXUZGUMPSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(NC[C@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014547 1075747565 /nfs/dbraw/zinc/74/75/65/1075747565.db2.gz IRTPJGDQEMCUKC-FZMZJTMJSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(NC[C@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014547 1075747563 /nfs/dbraw/zinc/74/75/63/1075747563.db2.gz IRTPJGDQEMCUKC-FZMZJTMJSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(NC[C@@H](O)CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014548 1075747528 /nfs/dbraw/zinc/74/75/28/1075747528.db2.gz IRTPJGDQEMCUKC-RISCZKNCSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(NC[C@@H](O)CNC(=O)[C@@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014548 1075747524 /nfs/dbraw/zinc/74/75/24/1075747524.db2.gz IRTPJGDQEMCUKC-RISCZKNCSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(NC[C@H](O)CNC(=O)[C@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014549 1075747450 /nfs/dbraw/zinc/74/74/50/1075747450.db2.gz IRTPJGDQEMCUKC-SMDDNHRTSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(NC[C@H](O)CNC(=O)[C@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581014549 1075747445 /nfs/dbraw/zinc/74/74/45/1075747445.db2.gz IRTPJGDQEMCUKC-SMDDNHRTSA-N 2 2 376.421 -1.788 20 0 GAADLP Cc1cc(NC[C@@H](O)CNC(=O)CC[NH+]2CCOCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015838 1075748698 /nfs/dbraw/zinc/74/86/98/1075748698.db2.gz VIARSDHTYCGRFC-CYBMUJFWSA-N 2 2 390.448 -1.397 20 0 GAADLP Cc1cc(NC[C@H](O)CNC(=O)CC[NH+]2CCOCC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581015839 1075748720 /nfs/dbraw/zinc/74/87/20/1075748720.db2.gz VIARSDHTYCGRFC-ZDUSSCGKSA-N 2 2 390.448 -1.397 20 0 GAADLP Cc1cc(NCCN(CCO)C(=O)[C@@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028754 1075750586 /nfs/dbraw/zinc/75/05/86/1075750586.db2.gz KSWWWBIPMOOXOJ-HNNXBMFYSA-N 2 2 390.448 -1.445 20 0 GAADLP Cc1cc(NCCN(CCO)C(=O)[C@@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028754 1075750581 /nfs/dbraw/zinc/75/05/81/1075750581.db2.gz KSWWWBIPMOOXOJ-HNNXBMFYSA-N 2 2 390.448 -1.445 20 0 GAADLP Cc1cc(NCCN(CCO)C(=O)[C@H]2C[N@@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028756 1075750532 /nfs/dbraw/zinc/75/05/32/1075750532.db2.gz KSWWWBIPMOOXOJ-OAHLLOKOSA-N 2 2 390.448 -1.445 20 0 GAADLP Cc1cc(NCCN(CCO)C(=O)[C@H]2C[N@H+](C)CCO2)c(-c2nn[nH]n2)c[nH+]1 ZINC001581028756 1075750526 /nfs/dbraw/zinc/75/05/26/1075750526.db2.gz KSWWWBIPMOOXOJ-OAHLLOKOSA-N 2 2 390.448 -1.445 20 0 GAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@@H]1O ZINC001582052840 1075853419 /nfs/dbraw/zinc/85/34/19/1075853419.db2.gz IIOJFBDCFGLGAY-HIFRSBDPSA-N 2 2 388.432 -1.350 20 0 GAADLP O=C(CC[NH+]1CCOCC1)NC[C@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582052891 1075853543 /nfs/dbraw/zinc/85/35/43/1075853543.db2.gz JQHBGTCMRWXJKV-GFCCVEGCSA-N 2 2 376.421 -1.705 20 0 GAADLP O=C(CC[NH+]1CCOCC1)NC[C@@H](CO)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582052894 1075853552 /nfs/dbraw/zinc/85/35/52/1075853552.db2.gz JQHBGTCMRWXJKV-LBPRGKRZSA-N 2 2 376.421 -1.705 20 0 GAADLP O=C(CC[NH+]1CCOCC1)N(CCO)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582053204 1075853983 /nfs/dbraw/zinc/85/39/83/1075853983.db2.gz PLLZEPHLGOCDQG-UHFFFAOYSA-N 2 2 390.448 -1.361 20 0 GAADLP O=C(CC[NH+]1CCOCC1)NC[C@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582053364 1075854825 /nfs/dbraw/zinc/85/48/25/1075854825.db2.gz WHFRZESADAOVTH-GFCCVEGCSA-N 2 2 376.421 -1.705 20 0 GAADLP O=C(CC[NH+]1CCOCC1)NC[C@@H](O)CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001582053365 1075854737 /nfs/dbraw/zinc/85/47/37/1075854737.db2.gz WHFRZESADAOVTH-LBPRGKRZSA-N 2 2 376.421 -1.705 20 0 GAADLP CN(CCOCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001591194474 1076134711 /nfs/dbraw/zinc/13/47/11/1076134711.db2.gz RRXQJQRXLNKRHB-HNNXBMFYSA-N 2 2 390.448 -1.099 20 0 GAADLP CN(CCOCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001591194474 1076134706 /nfs/dbraw/zinc/13/47/06/1076134706.db2.gz RRXQJQRXLNKRHB-HNNXBMFYSA-N 2 2 390.448 -1.099 20 0 GAADLP CN(CCOCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001591194475 1076134984 /nfs/dbraw/zinc/13/49/84/1076134984.db2.gz RRXQJQRXLNKRHB-OAHLLOKOSA-N 2 2 390.448 -1.099 20 0 GAADLP CN(CCOCCNc1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001591194475 1076134981 /nfs/dbraw/zinc/13/49/81/1076134981.db2.gz RRXQJQRXLNKRHB-OAHLLOKOSA-N 2 2 390.448 -1.099 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)NCCOCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591194818 1076135231 /nfs/dbraw/zinc/13/52/31/1076135231.db2.gz JHXNRXJBKFYPHI-HNNXBMFYSA-N 2 2 390.448 -1.051 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)NCCOCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591194818 1076135229 /nfs/dbraw/zinc/13/52/29/1076135229.db2.gz JHXNRXJBKFYPHI-HNNXBMFYSA-N 2 2 390.448 -1.051 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)NCCOCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591194819 1076135441 /nfs/dbraw/zinc/13/54/41/1076135441.db2.gz JHXNRXJBKFYPHI-OAHLLOKOSA-N 2 2 390.448 -1.051 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)NCCOCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001591194819 1076135438 /nfs/dbraw/zinc/13/54/38/1076135438.db2.gz JHXNRXJBKFYPHI-OAHLLOKOSA-N 2 2 390.448 -1.051 20 0 GAADLP Cc1cc(N2CC[NH+]([C@@H]3CCN(C(=O)C(N)=O)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592007840 1076176891 /nfs/dbraw/zinc/17/68/91/1076176891.db2.gz NYCVPDPSNZLDSY-GFCCVEGCSA-N 2 2 385.432 -1.222 20 0 GAADLP Cc1cc(N2CC[NH+]([C@H]3CCN(C(=O)C(N)=O)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592007841 1076176990 /nfs/dbraw/zinc/17/69/90/1076176990.db2.gz NYCVPDPSNZLDSY-LBPRGKRZSA-N 2 2 385.432 -1.222 20 0 GAADLP Cc1cc(N2CC[NH+](CCNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592007962 1076176902 /nfs/dbraw/zinc/17/69/02/1076176902.db2.gz XEQYJCCBYGAZBH-OLZOCXBDSA-N 2 2 399.459 -1.070 20 0 GAADLP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592010718 1076177385 /nfs/dbraw/zinc/17/73/85/1076177385.db2.gz CVDXVEHDGAGCFJ-SNPRPXQTSA-N 2 2 388.432 -1.434 20 0 GAADLP Cc1cc(N2C[C@@H](NC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592010718 1076177382 /nfs/dbraw/zinc/17/73/82/1076177382.db2.gz CVDXVEHDGAGCFJ-SNPRPXQTSA-N 2 2 388.432 -1.434 20 0 GAADLP Cc1cc(N2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592010719 1076177495 /nfs/dbraw/zinc/17/74/95/1076177495.db2.gz CVDXVEHDGAGCFJ-VHDGCEQUSA-N 2 2 388.432 -1.434 20 0 GAADLP Cc1cc(N2C[C@@H](NC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H](O)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592010719 1076177493 /nfs/dbraw/zinc/17/74/93/1076177493.db2.gz CVDXVEHDGAGCFJ-VHDGCEQUSA-N 2 2 388.432 -1.434 20 0 GAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001593721169 1076256018 /nfs/dbraw/zinc/25/60/18/1076256018.db2.gz GNRWCJXVIGGYKS-IXDOHACOSA-N 2 2 380.489 -1.165 20 0 GAADLP O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001593721169 1076256015 /nfs/dbraw/zinc/25/60/15/1076256015.db2.gz GNRWCJXVIGGYKS-IXDOHACOSA-N 2 2 380.489 -1.165 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001593721171 1076255978 /nfs/dbraw/zinc/25/59/78/1076255978.db2.gz GNRWCJXVIGGYKS-YESZJQIVSA-N 2 2 380.489 -1.165 20 0 GAADLP O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001593721171 1076255972 /nfs/dbraw/zinc/25/59/72/1076255972.db2.gz GNRWCJXVIGGYKS-YESZJQIVSA-N 2 2 380.489 -1.165 20 0 GAADLP C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001598393604 1076262155 /nfs/dbraw/zinc/26/21/55/1076262155.db2.gz USQFZOBKJWAJGW-CYBMUJFWSA-N 2 2 378.481 -1.147 20 0 GAADLP CC(=O)NCC(=O)NCC[NH+]1CCN(c2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001602942416 1076275533 /nfs/dbraw/zinc/27/55/33/1076275533.db2.gz LFESOFQFVDTLRM-UHFFFAOYSA-N 2 2 387.448 -1.056 20 0 GAADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3cnc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001604849088 1076321834 /nfs/dbraw/zinc/32/18/34/1076321834.db2.gz PMQQCWHNQPFYEQ-CYBMUJFWSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3cnc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001604849088 1076321828 /nfs/dbraw/zinc/32/18/28/1076321828.db2.gz PMQQCWHNQPFYEQ-CYBMUJFWSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(c3cnc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001604849091 1076321920 /nfs/dbraw/zinc/32/19/20/1076321920.db2.gz PMQQCWHNQPFYEQ-ZDUSSCGKSA-N 2 2 386.464 -1.153 20 0 GAADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCN(c3cnc(-c4nn[nH]n4)cn3)CC2)C1 ZINC001604849091 1076321913 /nfs/dbraw/zinc/32/19/13/1076321913.db2.gz PMQQCWHNQPFYEQ-ZDUSSCGKSA-N 2 2 386.464 -1.153 20 0 GAADLP CN(C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001604869576 1076323411 /nfs/dbraw/zinc/32/34/11/1076323411.db2.gz HQGZSPQCEMAQFP-DOMZBBRYSA-N 2 2 390.448 -1.152 20 0 GAADLP CN(C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001604869576 1076323407 /nfs/dbraw/zinc/32/34/07/1076323407.db2.gz HQGZSPQCEMAQFP-DOMZBBRYSA-N 2 2 390.448 -1.152 20 0 GAADLP CN(C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001604869581 1076323530 /nfs/dbraw/zinc/32/35/30/1076323530.db2.gz HQGZSPQCEMAQFP-IUODEOHRSA-N 2 2 390.448 -1.152 20 0 GAADLP CN(C[C@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001604869581 1076323524 /nfs/dbraw/zinc/32/35/24/1076323524.db2.gz HQGZSPQCEMAQFP-IUODEOHRSA-N 2 2 390.448 -1.152 20 0 GAADLP CN(C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001604869583 1076323446 /nfs/dbraw/zinc/32/34/46/1076323446.db2.gz HQGZSPQCEMAQFP-SWLSCSKDSA-N 2 2 390.448 -1.152 20 0 GAADLP CN(C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001604869583 1076323443 /nfs/dbraw/zinc/32/34/43/1076323443.db2.gz HQGZSPQCEMAQFP-SWLSCSKDSA-N 2 2 390.448 -1.152 20 0 GAADLP CN(C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001604869586 1076323304 /nfs/dbraw/zinc/32/33/04/1076323304.db2.gz HQGZSPQCEMAQFP-WFASDCNBSA-N 2 2 390.448 -1.152 20 0 GAADLP CN(C[C@@H](O)CN(C)c1cc[nH+]cc1-c1nn[nH]n1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001604869586 1076323302 /nfs/dbraw/zinc/32/33/02/1076323302.db2.gz HQGZSPQCEMAQFP-WFASDCNBSA-N 2 2 390.448 -1.152 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001604870648 1076324394 /nfs/dbraw/zinc/32/43/94/1076324394.db2.gz XRUFNJKPUWMHKW-BZUAXINKSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001604870648 1076324390 /nfs/dbraw/zinc/32/43/90/1076324390.db2.gz XRUFNJKPUWMHKW-BZUAXINKSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001604870648 1076324384 /nfs/dbraw/zinc/32/43/84/1076324384.db2.gz XRUFNJKPUWMHKW-BZUAXINKSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001604870648 1076324378 /nfs/dbraw/zinc/32/43/78/1076324378.db2.gz XRUFNJKPUWMHKW-BZUAXINKSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001604870649 1076324290 /nfs/dbraw/zinc/32/42/90/1076324290.db2.gz XRUFNJKPUWMHKW-OAGGEKHMSA-N 2 2 387.444 -1.141 20 0 GAADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001604870649 1076324285 /nfs/dbraw/zinc/32/42/85/1076324285.db2.gz XRUFNJKPUWMHKW-OAGGEKHMSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001604870649 1076324281 /nfs/dbraw/zinc/32/42/81/1076324281.db2.gz XRUFNJKPUWMHKW-OAGGEKHMSA-N 2 2 387.444 -1.141 20 0 GAADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)C1 ZINC001604870649 1076324275 /nfs/dbraw/zinc/32/42/75/1076324275.db2.gz XRUFNJKPUWMHKW-OAGGEKHMSA-N 2 2 387.444 -1.141 20 0 GAADLP CN(C(=O)[C@H]([NH3+])CCC(=O)[O-])C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001606233395 1076361410 /nfs/dbraw/zinc/36/14/10/1076361410.db2.gz OAMOKOMOGGKETK-OAHLLOKOSA-N 2 2 383.493 -1.125 20 0 GAADLP NC(=O)[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001606426705 1076370869 /nfs/dbraw/zinc/37/08/69/1076370869.db2.gz NUSRQUMNTAIZFX-OLZOCXBDSA-N 2 2 399.459 -1.203 20 0 GAADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1O ZINC001606524487 1076375186 /nfs/dbraw/zinc/37/51/86/1076375186.db2.gz IIOJFBDCFGLGAY-UKRRQHHQSA-N 2 2 388.432 -1.350 20 0 GAADLP CCOC(=O)C[C@H](O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001627052810 1076461268 /nfs/dbraw/zinc/46/12/68/1076461268.db2.gz JGSBTJQTNIADLP-INIZCTEOSA-N 2 2 398.504 -1.003 20 0 GAADLP CCOC(=O)C[C@@H](O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001627052812 1076461390 /nfs/dbraw/zinc/46/13/90/1076461390.db2.gz JGSBTJQTNIADLP-MRXNPFEDSA-N 2 2 398.504 -1.003 20 0 GAADLP CN(C(=O)Cn1cnc(N)n1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001628178435 1076464427 /nfs/dbraw/zinc/46/44/27/1076464427.db2.gz FZLKDWPOYFPQRO-UHFFFAOYSA-N 2 2 378.481 -1.443 20 0 GAADLP Cn1cc([C@@H]2[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H](O)C(=O)N2C)cn1 ZINC001632580527 1076478953 /nfs/dbraw/zinc/47/89/53/1076478953.db2.gz GVAJQXOHZJAREW-BZUAXINKSA-N 2 2 380.493 -1.090 20 0 GAADLP Cn1cc([C@@H]2[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H](O)C(=O)N2C)cn1 ZINC001632580527 1076478944 /nfs/dbraw/zinc/47/89/44/1076478944.db2.gz GVAJQXOHZJAREW-BZUAXINKSA-N 2 2 380.493 -1.090 20 0 GAADLP C[NH+]1CCN(c2ncc(C[NH2+]CCS(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001649186978 1076448606 /nfs/dbraw/zinc/44/86/06/1076448606.db2.gz WIDLQOODCCPKIR-UHFFFAOYSA-N 2 2 384.506 -1.020 20 0 GAADLP COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1CC[NH+](C)CC1 ZINC001663617551 1076556065 /nfs/dbraw/zinc/55/60/65/1076556065.db2.gz JNHTVLDRXDCJCB-UHFFFAOYSA-N 2 2 377.511 -1.799 20 0 GAADLP COCC[N@@H+](C)CCN1C[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC1=O ZINC001663687160 1076556470 /nfs/dbraw/zinc/55/64/70/1076556470.db2.gz FAZPSPHDDSZIJD-AWEZNQCLSA-N 2 2 377.511 -1.753 20 0 GAADLP COCC[N@H+](C)CCN1C[C@@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC1=O ZINC001663687160 1076556465 /nfs/dbraw/zinc/55/64/65/1076556465.db2.gz FAZPSPHDDSZIJD-AWEZNQCLSA-N 2 2 377.511 -1.753 20 0 GAADLP COCC[N@@H+](C)CCN1C[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC1=O ZINC001663687161 1076556416 /nfs/dbraw/zinc/55/64/16/1076556416.db2.gz FAZPSPHDDSZIJD-CQSZACIVSA-N 2 2 377.511 -1.753 20 0 GAADLP COCC[N@H+](C)CCN1C[C@H](NS(=O)(=O)N2CC[NH+](C)CC2)CC1=O ZINC001663687161 1076556412 /nfs/dbraw/zinc/55/64/12/1076556412.db2.gz FAZPSPHDDSZIJD-CQSZACIVSA-N 2 2 377.511 -1.753 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3nnc4n3CCNC4=O)C2)CC1 ZINC001669165230 1076567931 /nfs/dbraw/zinc/56/79/31/1076567931.db2.gz GWEMBOPHNVRYIR-GFCCVEGCSA-N 2 2 376.465 -1.011 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3nnc4n3CCNC4=O)C2)CC1 ZINC001669165230 1076567924 /nfs/dbraw/zinc/56/79/24/1076567924.db2.gz GWEMBOPHNVRYIR-GFCCVEGCSA-N 2 2 376.465 -1.011 20 0 GAADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3nnc4n3CCNC4=O)C2)CC1 ZINC001669165231 1076568009 /nfs/dbraw/zinc/56/80/09/1076568009.db2.gz GWEMBOPHNVRYIR-LBPRGKRZSA-N 2 2 376.465 -1.011 20 0 GAADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3nnc4n3CCNC4=O)C2)CC1 ZINC001669165231 1076568007 /nfs/dbraw/zinc/56/80/07/1076568007.db2.gz GWEMBOPHNVRYIR-LBPRGKRZSA-N 2 2 376.465 -1.011 20 0 GAADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCN(CC(N)=O)C(=O)C3)CC2)CC1 ZINC001683493278 1076589324 /nfs/dbraw/zinc/58/93/24/1076589324.db2.gz PATVLACZLZJSSS-UHFFFAOYSA-N 2 2 380.493 -1.116 20 0 GAADLP